FPCODE	SMILES	INCHI_KEY
TEST_0	CC(=O)N	C60355
TEST_0	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
TEST_0	C=CC#N	C107131
TEST_0	O=C1C(NC(=O)N1)NC(=O)N	C97596
TEST_0	C=CCO	C107186
TEST_0	C=CCN=C=S	C57067
TEST_0	Nc1ccc(OC)cc1.Cl	C20265978
TEST_0	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
TEST_0	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
TEST_0	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
TEST_0	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
TEST_0	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
TEST_0	CC(=O)OCc1ccccc1	C140114
TEST_0	CC(CNCC(C)O)O	C110974
TEST_0	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
TEST_0	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
TEST_0	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
TEST_0	C(=O)(c1ccc(cc1)O)OCCCC	C94268
TEST_0	CC(c1c(ccc(c1)C)O)(C)C	C2409554
TEST_0	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
TEST_0	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
TEST_0	Clc1c(ccc(c1)N)C	C95749
TEST_0	O=CCCl	C107200
TEST_0	ClCOC	C107302
TEST_0	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
TEST_0	NC(=N)NC#N	C461585
TEST_0	O=C1CCCCC1	C108941
TEST_0	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
TEST_0	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
TEST_0	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
TEST_0	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
TEST_0	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
TEST_0	BrCCBr	C106934
TEST_0	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
TEST_0	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
TEST_0	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
TEST_0	S=C(NCC)NCC	C105555
TEST_0	CN(C)C(=O)C	C127195
TEST_0	CN(CCO)C	C108010
TEST_0	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
TEST_0	CN(C)N	C57147
TEST_0	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
TEST_0	C=CCc1ccc(cc1)OC	C140670
TEST_0	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
TEST_0	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
TEST_0	CC1(C)OC2(C)CCC1CC2	C470826
TEST_0	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
TEST_0	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
TEST_0	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
TEST_0	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
TEST_0	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
TEST_0	OC(CO)CCl	C96242
TEST_0	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
TEST_0	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
TEST_0	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
TEST_0	O=C(Nc1ccccc1)OC(C)C	C122429
TEST_0	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
TEST_0	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
TEST_0	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
TEST_0	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
TEST_0	COc1ccc(cc1)O	C150765
TEST_0	NC(=O)OC	C598550
TEST_0	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
TEST_0	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
TEST_0	C=Cc1ccc(cc1)C	C622979
TEST_0	OC(=O)Cc1c2c(ccc1)cccc2	C86873
TEST_0	NC(=O)c1cccnc1	C98920
TEST_0	OC(=O)c1cccnc1	C59676
TEST_0	O=[N+](CC)[O-]	C79243
TEST_0	CN(C(=O)N)N=O	C684935
TEST_0	CN(N=O)C	C62759
TEST_0	O=NN1CCCC1	C930552
TEST_0	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
TEST_0	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
TEST_0	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
TEST_0	O=C(N(CCCC)CC)SCCC	C1114712
TEST_0	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
TEST_0	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
TEST_0	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
TEST_0	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
TEST_0	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
TEST_0	c12c(C(=O)NS1(=O)=O)cccc2	C81072
TEST_0	NC(=S)N	C62566
TEST_0	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
TEST_0	Nc1ccccc1C.Cl	C636215
TEST_0	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
TEST_0	ClCC(Cl)CCl	C96184
TEST_0	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
TEST_0	O=P(OC)(OC)OC	C512561
TEST_0	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
TEST_0	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
TEST_0	O=CCc1ccccc1	C122781
TEST_0	O=C(O)/C=C\C(=O)O	C110167
TEST_0	OC(=O)/C=C/C(=O)O	C110178
TEST_0	OCCOCCOCCOCCCC	C143226
TEST_0	CCCCCCCCCC=O	C112312
TEST_0	CCCCCCCCCCCC(=O)O	C143077
TEST_0	O=CCCCCCC	C111717
TEST_0	OC(=O)CCCCCCCCCCCCCCC	C57103
TEST_0	CCCCCCCCC=O	C124196
TEST_0	O=C(O)CCCCCCCC(=O)O	C123999
TEST_0	OC(=O)CCCC	C109524
TEST_0	O=C(O)CCCCCCCCCCCCC	C544638
TEST_0	c1(O)ccccc1C(=O)N	C65452
TEST_0	CS(=O)C	C67685
TEST_0	OCCC	C71238
TEST_0	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
TEST_0	OC(C)CN	C78966
TEST_0	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
TEST_0	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
TEST_0	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
TEST_0	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
TEST_0	O=Cc1ccccc1O	C90028
TEST_0	c1cc(N)ccc1C(=O)OCC	C94097
TEST_0	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
TEST_0	ON=C1CCCCC1	C100641
TEST_0	OCCN1CCNCC1	C103764
TEST_0	Nc1ccc(CCCC)cc1	C104132
TEST_0	CCOC(=O)CC(=O)OCC	C105533
TEST_0	CC(O)CC(C)(C)O	C107415
TEST_0	CCCC(=O)C	C107879
TEST_0	C1CCCCC1O	C108930
TEST_0	N#CCC#N	C109773
TEST_0	CCCCCC(=O)C	C110430
TEST_0	C(O)C#CCO	C110656
TEST_0	CCNCCO	C110736
TEST_0	CCCCCCO	C111273
TEST_0	CCCCCCCO	C111706
TEST_0	CCCCCCCCCC(=O)C	C112129
TEST_0	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
TEST_0	O=Cc1cc(OCC)c(O)cc1	C121324
TEST_0	Oc1ccc(CC)cc1	C123079
TEST_0	CCCCCC(=O)OCC	C123660
TEST_0	CCCCCCCCCCCCN	C124221
TEST_0	NCCN1CCNCC1	C140318
TEST_0	CCCCCCCCCO	C143088
TEST_0	COc1ccc(OC)cc1	C150787
TEST_0	n1c(C(=O)O)cccc1C(=O)O	C499832
TEST_0	O=C(OC(C)(C)C)C	C540885
TEST_0	Oc1ccc(CCC)cc1	C645567
TEST_0	CCCCCCC1OC(=O)CC1	C706149
TEST_0	C=CC(Cl)CCl	C760236
TEST_0	C=CC(=O)OCCO	C818611
TEST_0	CC/C=C\CCO	C928961
TEST_0	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
TEST_0	CCCCCCCCCCN	C2016571
TEST_0	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
TEST_0	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
TEST_0	Nc1ccc(OCCCCCC)cc1	C39905572
TEST_0	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
TEST_0	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
TEST_0	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
TEST_0	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
TEST_0	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
TEST_0	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
TEST_0	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
TEST_0	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
TEST_0	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
TEST_0	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
TEST_0	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
TEST_0	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
TEST_0	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
TEST_0	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
TEST_0	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
TEST_0	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
TEST_0	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
TEST_0	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
TEST_0	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
TEST_0	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
TEST_0	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
TEST_0	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
TEST_0	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
TEST_0	c1(c(CC)cccc1)O	C90006
TEST_0	c1c(O)cccc1CC	C620177
TEST_0	C(=O)(/C=C/c1ccccc1)O	C140103
TEST_0	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
TEST_0	c1(c(ccc(c1)Cl)O)C	C1570645
TEST_0	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
TEST_0	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
TEST_0	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
TEST_0	C(=O)(c1ccc(cc1)O)OCC	C120478
TEST_0	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
TEST_0	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
TEST_0	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
TEST_0	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
TEST_0	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
TEST_0	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
TEST_0	c1cccc(OC)c1O	C90051
TEST_0	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
TEST_0	C(=O)(O)C(C)O	C50215
TEST_0	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
TEST_0	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
TEST_0	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
TEST_0	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
TEST_0	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
TEST_0	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
TEST_0	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
TEST_0	c1(C(C)C)cccc(C(C)C)c1O	C2078548
TEST_0	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
TEST_0	C(=O)(O)CCC(=O)O	C110156
TEST_0	NC(CO)(CO)CO	C77861
TEST_0	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
TEST_0	C[Si](=O)C	C9016006
TEST_0	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
TEST_0	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
TEST_0	Cl/C=C/Cl	C156605
TEST_0	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
TEST_0	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
TEST_0	CNC	C124403
TEST_0	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
TEST_0	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
TEST_0	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
TEST_0	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
TEST_0	CC(=C)C#N	C126987
TEST_0	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
TEST_0	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
TEST_0	Cc1cc(O)ccc1	C108394
TEST_0	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
TEST_0	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
TEST_0	CC(O)COC	C107982
TEST_0	[Na+].[O-]C(=O)CF	C62748
TEST_0	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
TEST_0	O=C(N)N=NC(=O)N	C123773
TEST_0	O=C(OCc1ccccc1)c1ccccc1O	C118581
TEST_0	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
TEST_0	ON=CCCC	C110690
TEST_0	OCCCCO	C110634
TEST_0	O=C(OCCCC)C=C	C141322
TEST_0	C(C)(C)(C)N	C75649
TEST_0	C(OCCCC)C1CO1	C2426086
TEST_0	c1(ccc(cc1)C)C(C)(C)C	C98511
TEST_0	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
TEST_0	C(F)(F)(F)c1ccc(Cl)cc1	C98566
TEST_0	O=C/C=C/c1ccccc1	C14371109
TEST_0	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
TEST_0	C(C(=O)C)C(C)(C)O	C123422
TEST_0	C(CCN)CCCN	C124094
TEST_0	N#CC(Br)(CCC#N)CBr	C35691657
TEST_0	N(C1CCCCC1)C1CCCCC1	C101837
TEST_0	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
TEST_0	C12C3C=CC(C3)C1C=CC2	C77736
TEST_0	N(CCN)CCN	C111400
TEST_0	O=C(CC(C)C)CC(C)C	C108838
TEST_0	N(C)(C)c1cccc(O)c1	C99070
TEST_0	N(CCCN)(C)C	C109557
TEST_0	c1ccc2c(c1)c(c(cc2)C)C	C28804888
TEST_0	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
TEST_0	OCNC(=O)NCO	C140954
TEST_0	Cc1c(C)cccc1O	C526750
TEST_0	Cc1cc(C)cc(O)c1	C108689
TEST_0	C=Cc1ccccc1C=C	C1321740
TEST_0	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
TEST_0	C(CCCCCC)CCCCCS	C112550
TEST_0	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
TEST_0	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
TEST_0	O=C(OCC)c1c(N)cccc1	C87252
TEST_0	C(CC)(C=O)CCCC	C123057
TEST_0	OCC(C(O)CCC)CC	C94962
TEST_0	CCC(=CCCC)C=O	C645625
TEST_0	O=C(OCC(CCCC)CC)C=C	C103117
TEST_0	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
TEST_0	CC=C1CC2C=CC1C2	C16219753
TEST_0	c1c(CO)occ1	C98000
TEST_0	O=CCCCC=O	C111308
TEST_0	C(=O)(O)CO	C79141
TEST_0	N([Si](C)(C)C)[Si](C)(C)C	C999973
TEST_0	O=C(OCCCCCC)c1ccccc1	C6789884
TEST_0	C(C)(C)(O)C#N	C75865
TEST_0	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
TEST_0	O(C(C)C)C(=O)C	C108214
TEST_0	OC(C=C)(CCC=C(C)C)C	C78706
TEST_0	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
TEST_0	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
TEST_0	N#CC(CCC#N)C	C4553622
TEST_0	O=C(C)C=Cc1ccccc1	C122576
TEST_0	C1COCCN1	C110918
TEST_0	C(CCCCCCC)C	C111842
TEST_0	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
TEST_0	C(=O)(O)C(=O)O	C144627
TEST_0	O(c1ccc(N)cc1)CC	C156434
TEST_0	C(=O)(OCC)C1OC1c1ccccc1	C121391
TEST_0	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
TEST_0	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
TEST_0	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
TEST_0	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
TEST_0	c12ccccc1CCCC2	C119642
TEST_0	O=C(O)CS	C68111
TEST_0	Cc1cccc2nn[nH]c12	C29385431
TEST_0	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
TEST_0	O=P(OCC)(OCC)OCC	C78400
TEST_0	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
TEST_0	N(C)(C)C	C75503
TEST_0	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
TEST_0	ClCCOP(OCCCl)OCCCl	C140089
TEST_0	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
TEST_0	O(C)c1cc(C=O)ccc1OC	C120149
TEST_0	Cc1cccc(C)c1	C108383
TEST_0	OCCc1ccccc1	C60128
TEST_0	O=C(O)c1ccccc1O	C69727
TEST_0	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
TEST_0	N#CC(C)C	C78820
TEST_0	CC1(C(=C)C2CCC1C2)C	C79925
TEST_0	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
TEST_0	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
TEST_0	O=C1C2C(CC=CC2)C(=O)N1	C85405
TEST_0	O=C1c2c(cccc2)C(=O)N1	C85416
TEST_0	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
TEST_0	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
TEST_0	OC1CCC(C(C)(C)C)CC1	C98522
TEST_0	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
TEST_0	O=C(O)c1ccc(O)cc1	C99967
TEST_0	O=C(C)OCC(CC)CCCC	C103093
TEST_0	N1(SSN2CCOCC2)CCOCC1	C103344
TEST_0	c1(OCCOc2ccccc2)ccccc1	C104665
TEST_0	C[Si](C)(C)O[Si](C)(C)C	C107460
TEST_0	O=C1OCC(C)O1	C108327
TEST_0	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
TEST_0	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
TEST_0	O=C(OC)CCCCCCCCC	C110429
TEST_0	O=C(O)CCCCCCCCC(=O)O	C111206
TEST_0	N1CCCCCC1	C111499
TEST_0	O=C(C)OCCOC(=O)C	C111557
TEST_0	O=C(C)OCCOCCCC	C112072
TEST_0	CCCCCCCCCCCCN(C)C	C112185
TEST_0	OCCOCCOCCOC	C112356
TEST_0	OCCOCCOCCOCCO	C112607
TEST_0	OCC(CO)(CO)CO	C115775
TEST_0	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
TEST_0	O=Cc1ccc(OC)cc1	C123115
TEST_0	OC(CCCCCC)C	C123966
TEST_0	OCC(N)(C)C	C124685
TEST_0	OCC(C)(C)CO	C126307
TEST_0	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
TEST_0	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
TEST_0	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
TEST_0	Clc1ccc(C(F)(F)F)cc1Cl	C328847
TEST_0	C1=CC=CC1	C542927
TEST_0	O=C1c2c(cccc2)C(=O)N1C	C550447
TEST_0	CC1=CCC(=C(C)C)CC1	C586629
TEST_0	O=C1NCCC1	C616455
TEST_0	O=COC(C)C	C625558
TEST_0	Cl[Sn](CCCC)(Cl)CCCC	C683181
TEST_0	Cl[Sn](C)(C)Cl	C753731
TEST_0	OC(C)COc1ccccc1	C770354
TEST_0	NCCC[Si](OCC)(OCC)OCC	C919302
TEST_0	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
TEST_0	O=C(N)[O-].[NH4+]	C1111780
TEST_0	O=C(N(C)C)CCCCCCC	C1118929
TEST_0	Nc1cccc(C)c1C	C1300738
TEST_0	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
TEST_0	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
TEST_0	OCCOCCOCCOCCOCCCC	C1559348
TEST_0	Oc1cccc2c1OC(C)(C)C2	C1563388
TEST_0	OC1CCCCCCCCCCC1	C1724396
TEST_0	NCCNCCC[Si](OC)(OC)OC	C1760243
TEST_0	O=C(N(C)C)CC(=O)C	C2044646
TEST_0	NNC(=S)NN	C2231574
TEST_0	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
TEST_0	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
TEST_0	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
TEST_0	OCCOCCC	C2807309
TEST_0	O=C([O-])C(CC)CCCC.[K+]	C3164850
TEST_0	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
TEST_0	O=S(=O)(c1ccccc1)NCCCC	C3622842
TEST_0	O=C(CCl)[O-].[Na+]	C3926623
TEST_0	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
TEST_0	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
TEST_0	O=C(CS)OCC(CC)CCCC	C7659861
TEST_0	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
TEST_0	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
TEST_0	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
TEST_0	OCc1cccc(Oc2ccccc2)c1	C13826352
TEST_0	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
TEST_0	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
TEST_0	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
TEST_0	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
TEST_0	Nc1c(C)cccc1CC	C24549062
TEST_0	OC(OCC(OC(O)CC)C)CC	C24800440
TEST_0	Clc1cccc(C)c1	C25168052
TEST_0	CC(CO)O	C25322694
TEST_0	SC(C)(C)CCCCCC	C25360105
TEST_0	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
TEST_0	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
TEST_0	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
TEST_0	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
TEST_0	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
TEST_0	O=C(O)C(CC)(C)CCC(C)C	C26896208
TEST_0	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
TEST_0	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
TEST_0	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
TEST_0	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
TEST_0	BrCc1cccc(Oc2ccccc2)c1	C51632167
TEST_0	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
TEST_0	C1(CO1)COCCCCCCCCCCCC	C68609972
TEST_0	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
TEST_0	O=S(=O)(c1ccc(C)cc1)N	C70553
TEST_0	OC(CCCC(C)C)(C)CC	C78693
TEST_0	Cc1cc(C)c(C)cc1C	C95932
TEST_0	OCC1OCCC1	C97994
TEST_0	O=C(c1ccc(O)cc1)C	C99934
TEST_0	CN1CCOCC1	C109024
TEST_0	O=C(OCc1ccccc1)c1ccccc1	C120514
TEST_0	O=C1CCCC1	C120923
TEST_0	CCCCCC(=Cc1ccccc1)C=O	C122407
TEST_0	OC(CC(C)CC(C)C)CC(C)C	C123171
TEST_0	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
TEST_0	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
TEST_0	[S-]C(=S)NC.[Na+]	C137428
TEST_0	O=C(C=C(C)C)C	C141797
TEST_0	Cl[Sn](Cl)(Cl)CCCC	C1118463
TEST_0	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
TEST_0	OC(C)COCCC	C1569013
TEST_0	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
TEST_0	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
TEST_0	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
TEST_0	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
TEST_0	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
TEST_0	OCC(CCC)CCCCC	C10042598
TEST_0	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
TEST_0	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
TEST_0	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
TEST_0	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
TEST_0	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
TEST_0	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
TEST_0	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
TEST_0	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
TEST_0	CC(=C)C1CC=C(C)CC1	C138863
TEST_0	OC1CC(CCC1C(C)C)C	C1490046
TEST_0	N#C[S-].[NH4+]	C1762954
TEST_0	OCCC(C)CC(C)(C)C	C3452979
TEST_0	OC(OCCCC)CC	C29387868
TEST_0	O=C(C)OCCC(C)C(CC)CC	C108419336
TEST_0	ClC(Cl)(C)C	C594207
TEST_0	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
TEST_0	O=C1NC2NC(=O)NC2N1	C496468
TEST_0	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
TEST_0	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
TEST_0	Oc1cc(C)c(Cl)c(C)c1	C88040
TEST_0	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
TEST_0	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
TEST_0	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
TEST_0	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
TEST_0	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
TEST_0	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
TEST_0	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
TEST_0	CCN1CN(CC)CN(CC)C1	C7779273
TEST_0	OCn1nc(C)cc1C	C85264331
TEST_0	OCCSCCCCCCCC	C3547339
TEST_0	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
TEST_0	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
TEST_0	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
TEST_0	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
TEST_0	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
TEST_0	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
TEST_0	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
TEST_0	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
TEST_0	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
TEST_0	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
TEST_0	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
TEST_0	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
TEST_0	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
TEST_0	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
TEST_0	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
TEST_0	OC1CCCC1	C96413
TEST_0	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
TEST_0	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
TEST_0	CCCCCCCCCc1ccc(O)cc1	C104405
TEST_0	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
TEST_0	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
TEST_0	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
TEST_0	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
TEST_0	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
TEST_0	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
TEST_0	O=C1OC(CCCCC)CC1	C104610
TEST_0	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
TEST_0	O=C(COc1ccc(Cl)cc1)O	C122883
TEST_0	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
TEST_0	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
TEST_0	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
TEST_0	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
TEST_0	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
TEST_0	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
TEST_0	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
TEST_0	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
TEST_0	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
TEST_0	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
TEST_0	O=C(CBr)c1ccc(O)cc1	C2491385
TEST_0	O=C(Cc1cccc2c1cccc2)OCC	C2122705
TEST_0	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
TEST_0	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
TEST_0	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
TEST_0	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
TEST_0	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
TEST_0	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
TEST_0	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
TEST_0	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
TEST_0	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
TEST_0	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
TEST_0	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
TEST_0	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
TEST_0	OC(CCCCC)C=C	C3391864
TEST_0	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
TEST_0	OCCCCCCC/C=C/C=C/C	C33956499
TEST_0	Cc1ccc(C)c2c1cccc2	C571584
TEST_0	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
TEST_0	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
TEST_0	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
TEST_0	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
TEST_0	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
TEST_0	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
TEST_0	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
TEST_0	CC(=CCCC(=CC#N)C)C	C5146667
TEST_0	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
TEST_0	O=C1N(CCCCCCCC)CCC1	C2687947
TEST_0	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
TEST_0	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
TEST_0	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
TEST_0	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
TEST_0	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
TEST_0	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
TEST_0	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
TEST_0	Clc1nc(N)nc(NC(C)C)n1	C6190654
TEST_0	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
TEST_0	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
TEST_0	O=C(N(C)C)Nc1ccccc1	C101428
TEST_0	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
TEST_0	Oc1ccc(CCCCCCC)cc1	C1987504
TEST_0	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
TEST_0	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
TEST_0	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
TEST_0	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
TEST_0	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
TEST_0	Nc1ccc([N+](=O)[O-])cc1OC	C97529
TEST_0	O=C(O)C1CCC(C(=O)O)CC1	C1076977
TEST_0	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
TEST_0	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
TEST_0	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
TEST_0	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
TEST_0	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
TEST_0	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
TEST_0	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
TEST_0	O=C(O)c1ccccc1OCCCCCC	C6259763
TEST_0	O=C(CC)OCC	C105373
TEST_0	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
TEST_0	O=C(c1ccccc1O)C	C118934
TEST_0	O=C1OCC(CC)O1	C4437858
TEST_0	O=C(CBr)OCc1ccccc1	C5437456
TEST_0	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
TEST_0	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
TEST_0	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
TEST_0	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
TEST_0	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
TEST_0	CO[Si](OC)(OC)c1ccccc1	C2996921
TEST_0	Nc1ccc(CCCCC)cc1	C33228443
TEST_0	Nc1ccc(CCCCCC)cc1	C33228454
TEST_0	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
TEST_0	O=C(OCC)c1c(C)cccc1	C87241
TEST_0	OC1CCC(C(CC)(C)C)CC1	C5349519
TEST_0	O=C1CCC(C2CCCCC2)CC1	C92682
TEST_0	OC1CCC(C2CCCCC2)CC1	C2433149
TEST_0	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
TEST_0	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
TEST_0	OC(C)(C)C1CC=C(C)CC1	C8000417
TEST_0	OCc1cnc(C)c(O)c1CO.Cl	C58560
TEST_0	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
TEST_0	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
TEST_0	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
TEST_0	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
TEST_0	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
TEST_0	CC(C)C1=CCC(=CC1)C	C99854
TEST_0	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
TEST_0	CC1=CC=C(C(C)C)CC1	C99865
TEST_0	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
TEST_0	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
TEST_0	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
TEST_0	OCC(CCCCCC)CCCCCCCC	C2425776
TEST_0	CC(O)COCC	C1569024
TEST_0	O=C(C)OCCC(C)CC(C)(C)C	C58430947
TEST_0	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
TEST_0	O=C1C=CC(=O)N1c1ccccc1	C941695
TEST_0	OCC(O)COC(=O)CCCCCCCCCCC	C142187
TEST_0	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
TEST_0	Oc1ccccc1CN(C)C	C120650
TEST_0	O=C1CCC(O1)CC	C695067
TEST_0	O=C1OC(CCCCCC)(C)CC1	C7011838
TEST_0	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
TEST_0	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
TEST_0	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
TEST_0	O=C(OCC)/C=C/C=C\CCCCC	C3025307
TEST_0	O=C1NC(=O)C(N1)(CC)C	C5394365
TEST_0	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
TEST_0	O=C(C)c1cc2ccccc2cc1	C93083
TEST_0	O=C(Nc1ccccc1)CCl	C587655
TEST_0	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
TEST_0	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
TEST_0	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
TEST_0	OC(CCCC(C)C)(C)C	C13254347
TEST_0	O=C/C=C/CCC	C6728263
TEST_0	O1C=CCCC1	C110872
TEST_0	O=C(CC(C)C)OCC(C)CC	C2445774
TEST_0	OC(CC(C)C)(C)C#C	C107540
TEST_0	O=C(C)OCC/C=C\CC	C3681718
TEST_0	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
TEST_0	OCC=Cc1ccccc1	C104541
TEST_0	CCC(c1ccccc1)CCC	C4468422
TEST_0	O=C(N)Nc1ccc(Cl)cc1	C140385
TEST_0	O=CCC/C=C\CCCCC	C21662099
TEST_0	O=c1ccoc(CC)c1O	C4940118
TEST_0	NCCCN1CCOCC1	C123002
TEST_0	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
TEST_0	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
TEST_0	OCC[C@@H](C)CCC=C(C)C	C7540514
TEST_0	OC(CCCC(C)C=C)(C)C	C53219219
TEST_0	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
TEST_0	O=C(CCC)OCCCCC	C540181
TEST_0	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
TEST_0	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
TEST_0	O=C(C)OC(C)c1ccccc1	C93925
TEST_0	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
TEST_0	O=S(=O)(c1cc(C)ccc1C)O	C609541
TEST_0	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
TEST_0	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
TEST_0	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
TEST_0	N#Cc1c(O)cccc1	C611201
TEST_0	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
TEST_0	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
TEST_0	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
TEST_0	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
TEST_0	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
TEST_0	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
TEST_0	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
TEST_0	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
TEST_0	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
TEST_0	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
TEST_0	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
TEST_0	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
TEST_0	OC1CC(C)(C)CC(C)C1	C116029
TEST_0	O=C1C(C(CC)C)CCCC1	C14765301
TEST_0	OP(OCC)OCC	C762049
TEST_0	O=C(C)OC(C)(C)Cc1ccccc1	C151053
TEST_0	c1(Cc2ccccc2)ccccc1	C101815
TEST_0	OCCOCC(CC)CCCC	C1559359
TEST_0	O=C(CC)CCCCC	C106683
TEST_0	OCCN(CC)CCO	C139877
TEST_0	CCOC(OCC)OCC	C122510
TEST_0	CCO[Si](OCC)(OCC)CC	C78079
TEST_0	OC1C2(C)CCC(C1(C)C)C2	C1632731
TEST_0	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
TEST_0	O=C(CF)O	C144490
TEST_0	O=C(CCCCCCC)OCC(O)CO	C26402266
TEST_0	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
TEST_0	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
TEST_0	O=C(CCC)OCCCCCCC	C5870939
TEST_0	c12ccccc1CC=C2	C95136
TEST_0	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
TEST_0	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
TEST_0	Oc1cc(C(C)C)ccc1C	C499752
TEST_0	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
TEST_0	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
TEST_0	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
TEST_0	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
TEST_0	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
TEST_0	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
TEST_0	CCCCCCCCCCCCN1CCOCC1	C1541817
TEST_0	CC(C)N(C(C)C)c1ccccc1	C4107986
TEST_0	S=C(NC)NC	C534134
TEST_0	OC(C)C(=O)OCCCC	C138227
TEST_0	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
TEST_0	OC(C)(C)CCCC(C)CC=O	C107755
TEST_0	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
TEST_0	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
TEST_0	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
TEST_0	Oc1c(OCC)cccc1	C94713
TEST_0	Oc1ccc(C(C)C)cc1	C99898
TEST_0	COc1ccc(CCC)cc1	C104450
TEST_0	O[C@@H](C)C(=O)OCCCC	C34451199
TEST_0	c1(CCCc2ccccc2)ccccn1	C2110181
TEST_0	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
TEST_0	CO[Si](C)(C)OC	C1112396
TEST_0	CCCO[Si](OCCC)(OCCC)OCCC	C682019
TEST_0	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
TEST_0	O=S(=O)(OC)[O-].[Na+]	C512425
TEST_0	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
TEST_0	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
TEST_0	OC(CO)c1ccccc1	C93561
TEST_0	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
TEST_0	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
TEST_0	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
TEST_0	CCO[Si](OCC)(C)OCC	C2031676
TEST_0	CCO[Si](CCCCC)(OCC)OCC	C2761242
TEST_0	CO[Si](OC)(CCC)OC	C1067250
TEST_0	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
TEST_0	O=C(N)Nc1ccccc1	C64108
TEST_0	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
TEST_0	O=C(C)OCCCCCCCC	C112141
TEST_0	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
TEST_0	NNC(=S)NC	C6610293
TEST_0	Oc1c(C(C)C)cccc1	C88697
TEST_0	O=C1CCC(C(C)(C)C)CC1	C98533
TEST_0	O=C(c1ccccc1)Cc1ccccc1	C451401
TEST_0	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
TEST_0	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
TEST_0	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
TEST_0	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
TEST_0	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
TEST_0	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
TEST_0	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
TEST_0	NCCN.I.I	C5700492
TEST_0	Oc1cc(C(C)C)ccc1	C618451
TEST_0	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
TEST_0	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
TEST_0	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
TEST_0	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
TEST_0	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
TEST_0	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
TEST_0	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
TEST_0	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
TEST_0	OCC(CCCC)CCCCCC	C3913028
TEST_0	[O-]C(=O)C(=C)C.[Na+]	C5536618
TEST_0	Oc1cc(C(C)(C)C)ccc1	C585342
TEST_0	O=C(CCCCCCCCC=C)OCC	C692864
TEST_0	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
TEST_0	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
TEST_0	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
TEST_0	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
TEST_0	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
TEST_0	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
TEST_0	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
TEST_0	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
TEST_0	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
TEST_0	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
TEST_0	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
TEST_0	O=C1CCC(C(CC)(C)C)CC1	C16587716
TEST_0	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
TEST_0	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
TEST_0	O=C(c1ccccc1)OCCC(C)C	C94462
TEST_0	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
TEST_0	Oc1ccc(CCCC)cc1	C1638228
TEST_0	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
TEST_0	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
TEST_0	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
TEST_0	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
TEST_0	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
TEST_0	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
TEST_0	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
TEST_0	O=C(OCCc1ccccc1)c1ccccc1	C94473
TEST_0	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
TEST_0	OCCOCC(C)OCCO	C9003116
TEST_0	O=C1OC(CCC)CC1	C105215
TEST_0	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
TEST_0	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
TEST_0	C=O	C50000
TEST_0	O=C(c1ccccc1)c1ccccc1O	C117997
TEST_0	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
TEST_0	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
TEST_0	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
TEST_0	Nc1ccc(CCC)cc1	C2696846
TEST_0	Nc1ccc(C(C)(C)C)cc1	C769926
TEST_0	O=C(C1CCCCC1)c1ccccc1	C712505
TEST_0	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
TEST_0	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
TEST_0	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
TEST_0	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
TEST_0	CC(C1CCC(CC1)OC)(CC)C	C199584388
TEST_0	Sc1ccc(C)cc1	C106456
TEST_0	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
TEST_0	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
TEST_0	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
TEST_0	Clc1ccc(CCCC)cc1	C15499271
TEST_0	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
TEST_0	O=C(CCCCCC)c1ccccc1	C1671756
TEST_0	Oc1ccc(OCCCCCC)cc1	C18979550
TEST_0	Sc1ccc(C(C)(C)C)cc1	C2396681
TEST_0	O=C1CCC(CCC)CC1	C40649363
TEST_0	Nc1ccc(cc1)OCCCC	C4344552
TEST_0	O=C(O)c1c(C)cc(C)cc1C	C480637
TEST_0	O=C(c1ccccc1)C1CCC1	C5407987
TEST_0	O=C(c1ccccc1)C(C)C	C611701
TEST_0	O=C(c1ccc(Cl)cc1)CC	C6285058
TEST_0	OC1CCC(CCCC)CC1	C70568604
TEST_0	Clc1ccc(CCCCC)cc1	C79098207
TEST_0	O=C(OC)c1c(C)cccc1	C89714
TEST_0	O=C(c1ccccc1)C(C)(C)C	C938169
TEST_0	O=C(Oc1ccccc1)c1ccccc1	C93992
TEST_0	O=C(OCC)c1ccc(C)cc1	C94086
TEST_0	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
TEST_0	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
TEST_0	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
TEST_0	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
TEST_0	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
TEST_0	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
TEST_0	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
TEST_0	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
TEST_0	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
TEST_0	O=C(CCC(=O)O)NN(C)C	C1596845
TEST_0	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
TEST_0	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
TEST_0	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
TEST_0	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
TEST_0	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
TEST_0	O=P(OC=C(Cl)Cl)(OC)OC	C62737
TEST_0	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
TEST_0	S=P(SCC(=O)NC)(OC)OC	C60515
TEST_0	C[As](=O)(C)O	C75605
TEST_0	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
TEST_0	S=C1NCCN1	C96457
TEST_0	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
TEST_0	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
TEST_0	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
TEST_0	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
TEST_0	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
TEST_0	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
TEST_0	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
TEST_0	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
TEST_0	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
TEST_0	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
TEST_0	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
TEST_0	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
TEST_0	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
TEST_0	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
TEST_0	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
TEST_0	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
TEST_0	Clc1nc(nc(n1)NCC)NCC	C122349
TEST_0	S=C(N(C)C)SSC(=S)N(C)C	C137268
TEST_0	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
TEST_0	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
TEST_0	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
TEST_0	CC(C)Oc1ccccc1OC(=O)NC	C114261
TEST_0	c1ccccc1OCCO	C122996
TEST_0	CCN(CC)C(=O)c1cccc(C)c1	C134623
TEST_0	CCOP(=S)(OCC)SCCSCC	C298044
TEST_0	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
TEST_0	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
TEST_0	c1c(Br)c(O)c(Br)cc1C#N	C1689845
TEST_0	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
TEST_0	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
TEST_0	CSC(=NOC(=O)NC)C	C16752775
TEST_0	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
TEST_0	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
TEST_0	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
TEST_0	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
TEST_0	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
TEST_0	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
TEST_0	O=C(C)NP(=O)(OC)SC	C30560191
TEST_0	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
TEST_0	CSc1nc(NCC)nc(NC(C)C)n1	C834128
TEST_0	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
TEST_0	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
TEST_0	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
TEST_0	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
TEST_0	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
TEST_0	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
TEST_0	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
TEST_0	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
TEST_0	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
TEST_0	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
TEST_0	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
TEST_0	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
TEST_0	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
TEST_0	Nc1nc(N)nc(NC2CC2)n1	C66215278
TEST_0	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
TEST_0	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
TEST_0	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
TEST_0	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
TEST_0	ClCCP(=O)(O)O	C16672870
TEST_0	CCCN(CCC)C(=O)SCC	C759944
TEST_0	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
TEST_0	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
TEST_0	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
TEST_0	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
TEST_0	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
TEST_0	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
TEST_0	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
TEST_0	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
TEST_0	[Cl-].C[N+]1(C)CCCCC1	C24307264
TEST_0	CCCCSP(=O)(SCCCC)SCCCC	C78488
TEST_0	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
TEST_0	NP(=O)(OC)SC	C10265926
TEST_0	OCCOC	C109864
TEST_0	O=C(O)COc1c(C)cc(Cl)cc1	C94746
TEST_0	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
TEST_0	O=C(SCC)N1CCCCCC1	C2212671
TEST_0	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
TEST_0	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
TEST_0	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
TEST_0	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
TEST_0	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
TEST_0	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
TEST_0	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
TEST_0	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
TEST_0	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
TEST_0	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
TEST_0	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
TEST_0	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
TEST_0	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
TEST_0	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
TEST_0	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
TEST_0	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
TEST_0	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
TEST_0	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
TEST_0	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
TEST_0	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
TEST_0	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
TEST_0	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
TEST_0	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
TEST_0	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
TEST_0	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
TEST_0	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
TEST_0	CN1CN(C)CSC1=S	C533744
TEST_0	C(SC#N)SC#N	C6317186
TEST_0	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
TEST_0	S=C=NC	C556616
TEST_0	O=C(NCCCC)OCC#CI	C55406536
TEST_0	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
TEST_0	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
TEST_0	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
TEST_0	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
TEST_0	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
TEST_0	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
TEST_0	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
TEST_0	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
TEST_0	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
TEST_0	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
TEST_0	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
TEST_0	O=C(N(CC)C1CCCCC1)SCC	C1134232
TEST_0	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
TEST_0	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
TEST_0	N#Cc1c(Cl)cccc1Cl	C1194656
TEST_0	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
TEST_0	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
TEST_0	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
TEST_0	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
TEST_0	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
TEST_0	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
TEST_0	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
TEST_0	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
TEST_0	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
TEST_0	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
TEST_0	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
TEST_0	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
TEST_0	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
TEST_0	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
TEST_0	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
TEST_0	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
TEST_0	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
TEST_0	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
TEST_0	O=C(SC)c1cccc2c1snn2	C135158542
TEST_0	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
TEST_0	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
TEST_0	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
TEST_0	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
TEST_0	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
TEST_0	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
TEST_0	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
TEST_0	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
TEST_0	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
TEST_0	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
TEST_0	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
TEST_0	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
TEST_0	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
TEST_0	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
TEST_0	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
TEST_0	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
TEST_0	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
TEST_0	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
TEST_0	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
TEST_0	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
TEST_0	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
TEST_0	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
TEST_0	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
TEST_0	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
TEST_0	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
TEST_0	O=P(SCCC)(OCC)SCCC	C13194484
TEST_0	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
TEST_0	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
TEST_0	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
TEST_0	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
TEST_0	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
TEST_0	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
TEST_0	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
TEST_0	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
TEST_0	N#CSCSc1nc2ccccc2s1	C21564170
TEST_0	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
TEST_0	O=C(Nc1ccccc1)Nc1cnns1	C51707552
TEST_0	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
TEST_0	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
TEST_0	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
TEST_0	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
TEST_0	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
TEST_0	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
TEST_0	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
TEST_0	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
TEST_0	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
TEST_0	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
TEST_0	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
TEST_0	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
TEST_0	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
TEST_0	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
TEST_0	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
TEST_0	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
TEST_0	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
TEST_0	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
TEST_0	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
TEST_0	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
TEST_0	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
TEST_0	N#CN	C420042
TEST_0	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
TEST_0	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
TEST_0	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
TEST_0	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
TEST_0	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
TEST_0	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
TEST_0	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
TEST_0	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
TEST_0	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
TEST_0	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
TEST_0	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
TEST_0	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
TEST_0	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
TEST_0	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
TEST_0	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
TEST_0	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
TEST_0	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
TEST_0	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
TEST_0	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
TEST_0	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
TEST_0	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
TEST_0	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
TEST_0	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
TEST_0	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
TEST_0	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
TEST_0	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
TEST_0	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
TEST_0	O=C(NCCCN(C)C)OCCC.Cl	C25606411
TEST_0	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
TEST_0	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
TEST_0	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
TEST_0	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
TEST_0	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
TEST_0	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
TEST_0	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
TEST_0	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
TEST_0	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
TEST_0	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
TEST_0	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
TEST_0	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
TEST_0	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
TEST_0	Clc1nc(NCC)nc(N)n1	C1007289
TEST_0	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
TEST_0	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
TEST_0	CC(C=NOC(=O)NC)(SC)C	C116063
TEST_0	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
TEST_0	O=C(OC)c1ccccc1C(=O)O	C4376185
TEST_0	O=C(OCCCC)c1ccccc1C(=O)O	C131704
TEST_0	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
TEST_0	CNC(=S)[S-].[Na+].O.O.O	C6734801
TEST_0	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
TEST_0	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
TEST_0	c1(ccc(cc1)O)NC(=O)C	C103902
TEST_0	NC(=O)C=C	C79061
TEST_0	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
TEST_0	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
TEST_0	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
TEST_0	C/C=C/c1ccc(cc1)OC	C4180238
TEST_0	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
TEST_0	OC(=O)c1c(cccc1)OC(=O)C	C50782
TEST_0	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
TEST_0	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
TEST_0	c1(ccccc1)C(=O)[O-].[Na+]	C532321
TEST_0	OC(=O)c1ccccc1	C65850
TEST_0	ClC(c1ccccc1)(Cl)Cl	C98077
TEST_0	OCc1ccccc1	C100516
TEST_0	OCC(CO)(CBr)CBr	C3296900
TEST_0	ClCCOCCCl	C111444
TEST_0	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
TEST_0	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
TEST_0	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
TEST_0	CC(C)(C)c1cc(O)ccc1O	C1948330
TEST_0	C(c1ccc(O)cc1)(C)(C)C	C98544
TEST_0	O=C1CCCO1	C96480
TEST_0	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
TEST_0	O=C1CCCCCN1	C105602
TEST_0	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
TEST_0	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
TEST_0	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
TEST_0	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
TEST_0	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
TEST_0	O=C(c1ccccc1)CCl	C532274
TEST_0	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
TEST_0	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
TEST_0	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
TEST_0	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
TEST_0	Nc1cc(ccc1OC)C	C120718
TEST_0	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
TEST_0	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
TEST_0	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
TEST_0	Nc1c(ccc(c1)N)C	C95807
TEST_0	OC(=O)C(Cl)Cl	C79436
TEST_0	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
TEST_0	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
TEST_0	OCCOCCO	C111466
TEST_0	CC1CC(OC(O1)C)OC(=O)C	C828002
TEST_0	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
TEST_0	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
TEST_0	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
TEST_0	CN(c1ccccc1)C	C121697
TEST_0	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
TEST_0	O=C(N(C)C)Cl	C79447
TEST_0	CN(C=O)C	C68122
TEST_0	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
TEST_0	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
TEST_0	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
TEST_0	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
TEST_0	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
TEST_0	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
TEST_0	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
TEST_0	C(CO)O	C107211
TEST_0	O1C2C1CCC(C2)C1CO1	C106876
TEST_0	CCC(CCCC)CO	C104767
TEST_0	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
TEST_0	Oc1c(cc(cc1)CC=C)OC	C97530
TEST_0	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
TEST_0	O=Cc1ccco1	C98011
TEST_0	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
TEST_0	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
TEST_0	OCC(O)CO	C56815
TEST_0	OCC1CO1	C556525
TEST_0	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
TEST_0	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
TEST_0	C1N2CN3CN(C2)CN1C3	C100970
TEST_0	Oc1c(ccc(c1)O)CCCCCC	C136776
TEST_0	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
TEST_0	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
TEST_0	O=C(c1ccncc1)NN	C54853
TEST_0	CC1(CC(=CC(=O)C1)C)C	C78591
TEST_0	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
TEST_0	[nH]1c(=S)n(cc1)C	C60560
TEST_0	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
TEST_0	CS(=O)(=O)OC	C66273
TEST_0	O=C1N(CCC1)C	C872504
TEST_0	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
TEST_0	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
TEST_0	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
TEST_0	Cc1c2c(ccc1)cccc2	C90120
TEST_0	Cc1cc2cccnc2cc1	C91623
TEST_0	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
TEST_0	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
TEST_0	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
TEST_0	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
TEST_0	CN1CCC[C@H]1c1cnccc1	C54115
TEST_0	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
TEST_0	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
TEST_0	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
TEST_0	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
TEST_0	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
TEST_0	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
TEST_0	O=NN(CCCC)CCCC	C924163
TEST_0	CCN(CC)N=O	C55185
TEST_0	O=NN(CCC)CCC	C621647
TEST_0	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
TEST_0	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
TEST_0	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
TEST_0	CC(=O)O[Hg]c1ccccc1	C62384
TEST_0	C1CNCCN1	C110850
TEST_0	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
TEST_0	O=S1(=O)CCCO1	C1120714
TEST_0	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
TEST_0	CC(CO)O	C57556
TEST_0	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
TEST_0	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
TEST_0	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
TEST_0	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
TEST_0	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
TEST_0	C=CCc1ccc2c(c1)OCO2	C94597
TEST_0	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
TEST_0	OC(=O)C=CC=CC	C110441
TEST_0	C1C(c2ccccc2)O1	C96093
TEST_0	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
TEST_0	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
TEST_0	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
TEST_0	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
TEST_0	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
TEST_0	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
TEST_0	ClC(C(=O)O)(Cl)Cl	C76039
TEST_0	OCCN(CCO)CCO	C102716
TEST_0	OCCOCCOCCO	C112276
TEST_0	Cc1c(ccc(c1)C)C	C95636
TEST_0	O=P(OCCCl)(OCCCl)OCCCl	C115968
TEST_0	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
TEST_0	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
TEST_0	C(=O)(N)N	C57136
TEST_0	NC(=O)OCC	C51796
TEST_0	O=C1N(C=C)CCC1	C88120
TEST_0	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
TEST_0	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
TEST_0	OC(=O)c1cc(C(=O)O)ccc1	C121915
TEST_0	OC(=O)CCC	C107926
TEST_0	CCCCOCCOCCO	C112345
TEST_0	CCCCCCCCCC(=O)O	C334485
TEST_0	CC(Cl)(Cl)C(=O)O	C75990
TEST_0	O=C(O)CCCCCC	C111148
TEST_0	OC(=O)CCCCC(=O)O	C124049
TEST_0	CCCCCC(=O)O	C142621
TEST_0	CCCCCCCCC(=O)O	C112050
TEST_0	CCCCCCCCCCCCCCCCCC(=O)O	C57114
TEST_0	CCCCCCCC=O	C124130
TEST_0	CCCCCCCC(=O)O	C124072
TEST_0	CCCCC=O	C110623
TEST_0	CCCCCCCCCCC	C1120214
TEST_0	Oc1cc(C)c(Cl)cc1	C59507
TEST_0	CC1(C)NC(=O)NC1=O	C77714
TEST_0	C(c1ccc(cc1)O)(CC)(C)C	C80466
TEST_0	c1ccc2cccc3c2c1CC3	C83329
TEST_0	CCOC(=O)c1ccccc1C(=O)OCC	C84662
TEST_0	CCN(CC)c1ccccc1	C91667
TEST_0	Oc1c(C)cccc1	C95487
TEST_0	CCC(=NO)C	C96297
TEST_0	c1ccccc1C(=O)C	C98862
TEST_0	Cc1cc([N+](=O)[O-])ccc1	C99081
TEST_0	CN(C)c1ccc(C)cc1	C99978
TEST_0	CCN(CCO)CC	C100378
TEST_0	CCNc1cc(C)ccc1	C102272
TEST_0	Oc1c(C)cc(C)cc1	C105679
TEST_0	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
TEST_0	Oc1ccc(C)cc1	C106445
TEST_0	Nc1ccc(C)cc1	C106490
TEST_0	ClCCO	C107073
TEST_0	CC(=O)OCCOCC	C111159
TEST_0	OCCNCCO	C111422
TEST_0	N#CCCCCC#N	C111693
TEST_0	CCCCCCCCO	C111875
TEST_0	CCOCCOCCO	C111900
TEST_0	CCCCCCCCCCO	C112301
TEST_0	CCCCCCCCCCCCCO	C112709
TEST_0	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
TEST_0	c1ccccc1C(=O)c1ccccc1	C119619
TEST_0	c1(C=O)cc(OC)c(O)cc1	C121335
TEST_0	CCCCOP(=O)(OCCCC)OCCCC	C126738
TEST_0	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
TEST_0	OCCN	C141435
TEST_0	Oc1c(C)cc(C)cc1C	C527606
TEST_0	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
TEST_0	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
TEST_0	Oc1c(C)c(C)ccc1C	C2416946
TEST_0	Oc1ccc(CCCCCCCC)cc1	C1806264
TEST_0	c1(c(O)cccc1)C(CC)C	C89725
TEST_0	c1(ccc(cc1)O)C(CC)C	C99718
TEST_0	Oc1ccc(C=CC)cc1OC	C97541
TEST_0	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
TEST_0	c1(CCCC)ccccc1	C104518
TEST_0	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
TEST_0	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
TEST_0	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
TEST_0	C(=O)(c1ccc(cc1)O)OCCC	C94133
TEST_0	C(=O)(c1ccc(cc1)O)OC	C99763
TEST_0	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
TEST_0	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
TEST_0	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
TEST_0	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
TEST_0	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
TEST_0	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
TEST_0	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
TEST_0	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
TEST_0	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
TEST_0	c1(C)c(O)c(CO)c(CO)cn1	C65236
TEST_0	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
TEST_0	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
TEST_0	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
TEST_0	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
TEST_0	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
TEST_0	C(=O)(O)C(CCC)CCC	C99661
TEST_0	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
TEST_0	O=N(=O)c1ccc(C)cc1	C99990
TEST_0	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
TEST_0	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
TEST_0	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
TEST_0	c1cc2cccc3C=Cc(c1)c23	C208968
TEST_0	Nc1c(OC)cccc1	C90040
TEST_0	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
TEST_0	Cc1ccccc1Cl	C95498
TEST_0	NC1CCCCC1	C108918
TEST_0	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
TEST_0	O=S(=O)(OCC)OCC	C64675
TEST_0	CP(=O)(OC(C)C)OC(C)C	C1445756
TEST_0	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
TEST_0	O=S(=O)(OC)OC	C77781
TEST_0	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
TEST_0	Oc1cc(C)c(C)cc1	C95658
TEST_0	Oc1c(cccc1C)C	C576261
TEST_0	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
TEST_0	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
TEST_0	CCOCCO	C110805
TEST_0	CCCCOCCO	C111762
TEST_0	c1cccc2Cc3ccccc3c12	C86737
TEST_0	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
TEST_0	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
TEST_0	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
TEST_0	O=C=NCCCCCCN=C=O	C822060
TEST_0	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
TEST_0	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
TEST_0	OCCOCCOCCOCC	C112505
TEST_0	O=C(SCCC)N(CCC)CCC	C1929777
TEST_0	ON=CC(C)(C)SC	C1646759
TEST_0	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
TEST_0	O=C(O)c1ccc(N)cc1	C150130
TEST_0	Oc1c(ccc(N)c1)C	C2835952
TEST_0	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
TEST_0	O(CCOC)CCOC	C111966
TEST_0	[O-][N+](=O)C(CO)(CO)Br	C52517
TEST_0	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
TEST_0	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
TEST_0	Cc1ccc(Cl)cc1	C106434
TEST_0	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
TEST_0	O=CC=C(C)CCC=C(C)C	C5392405
TEST_0	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
TEST_0	O(O)C(c1ccccc1)(C)C	C80159
TEST_0	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
TEST_0	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
TEST_0	C(CCCCCCCC)C	C124185
TEST_0	Nc1cc(C)ccc1N	C496720
TEST_0	O(OC(C)(C)C)C(C)(C)C	C110054
TEST_0	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
TEST_0	OC(CCl)CCl	C96231
TEST_0	c1(ccccc1)C(Cl)Cl	C98873
TEST_0	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
TEST_0	O(CCOC)CCO	C111773
TEST_0	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
TEST_0	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
TEST_0	C(CCCC(=O)OC)C(=O)OC	C627930
TEST_0	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
TEST_0	COC(=O)CCCC(=O)OC	C1119400
TEST_0	Cc1cccc(c1C)[N+](=O)[O-]	C83410
TEST_0	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
TEST_0	Oc1c(ccc(C)c1)C	C95874
TEST_0	C(=O)(OC)CCC(=O)OC	C106650
TEST_0	N=C(Nc1ccccc1)Nc1ccccc1	C102067
TEST_0	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
TEST_0	N(c1ccccc1)CC	C103695
TEST_0	O=C(O)C(CCCC)CC	C149575
TEST_0	C(=O)(N)NO	C127071
TEST_0	C(CC(C)C)OC(=O)C	C123922
TEST_0	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
TEST_0	o1c(C)c(O)c(=O)cc1	C118718
TEST_0	O=C(OC)c1c(N)cccc1	C134203
TEST_0	O=C(NCNC(=O)C=C)C=C	C110269
TEST_0	O(C)c1cc(CC=C)ccc1OC	C93152
TEST_0	O=C(OC)c1c(O)cccc1	C119368
TEST_0	C(=C)(C=C)CCC=C(C)C	C123353
TEST_0	[N+](=O)([O-])c1ccccc1C	C88722
TEST_0	O=c1ccsn1CCCCCCCC	C26530201
TEST_0	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
TEST_0	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
TEST_0	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
TEST_0	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
TEST_0	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
TEST_0	O=C=Nc1cc(N=C=O)ccc1C	C584849
TEST_0	Nc1c(cccc1)C	C95534
TEST_0	N(CCCC)(CCCC)CCCC	C102829
TEST_0	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
TEST_0	O=C(OCCOCCOCCOC(=O)C)C	C111217
TEST_0	C(OCCOC)COCCOC	C112492
TEST_0	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
TEST_0	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
TEST_0	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
TEST_0	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
TEST_0	Nc1c(cccc1C)C	C87627
TEST_0	Oc1c(C(C)(C)C)cccc1	C88186
TEST_0	Oc1c(C(C)(C)C)ccc(C)c1	C88608
TEST_0	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
TEST_0	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
TEST_0	CC(C)c1cccc(C(C)C)c1	C99627
TEST_0	CC(C)c1ccc(C)cc1	C99876
TEST_0	N#Cc1cnccc1	C100549
TEST_0	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
TEST_0	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
TEST_0	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
TEST_0	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
TEST_0	OCCC(C)CCC=C(C)C	C106229
TEST_0	OC/C=C(\C)/CCC=C(C)C	C106241
TEST_0	OC/C=C(/C)\CCC=C(C)C	C106252
TEST_0	OCCC(O)C	C107880
TEST_0	OC(CC(C)C)C	C108112
TEST_0	Nc1cccc(C)c1	C108441
TEST_0	Cc1cc(C)cc(C)c1	C108678
TEST_0	O=C(OC)CCCCCCC	C111115
TEST_0	O=C(OC)CCCCCCCCCCC	C111820
TEST_0	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
TEST_0	OCCOCCCCCC	C112254
TEST_0	OCCCCCCCCCCC	C112425
TEST_0	OCCCCCCCCCCCC	C112538
TEST_0	OCCCCCCCCCCCCCC	C112721
TEST_0	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
TEST_0	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
TEST_0	OCC(CO)([N+](=O)[O-])CO	C126114
TEST_0	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
TEST_0	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
TEST_0	[S-]C(=S)N(C)C.[Na+]	C128041
TEST_0	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
TEST_0	CCCCCCCCCCCCCCCC	C544763
TEST_0	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
TEST_0	Nc1c(CC)cccc1CC	C579668
TEST_0	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
TEST_0	O=C(C)OCCCCC	C628637
TEST_0	CCCCCCCCCCCCCCC	C629629
TEST_0	OCCCCCCCCCCCCCCC	C629765
TEST_0	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
TEST_0	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
TEST_0	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
TEST_0	Nc1cccc(C)c1N	C2687254
TEST_0	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
TEST_0	C1=CCCC=CCCC=CCC1	C4904614
TEST_0	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
TEST_0	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
TEST_0	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
TEST_0	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
TEST_0	O=C(O)C(O)CC(=O)O	C6915157
TEST_0	OC(OC(O)CC)CC	C25265718
TEST_0	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
TEST_0	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
TEST_0	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
TEST_0	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
TEST_0	O=C(OCCCCCC(C)C)C=C	C29590429
TEST_0	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
TEST_0	OC(OCCCOC)CC	C34590948
TEST_0	OCCCCCCCCCCCCCCCC	C36653824
TEST_0	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
TEST_0	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
TEST_0	O=C(OC)CC(=O)OC	C108598
TEST_0	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
TEST_0	CCC12N(COC1)COC2	C7747355
TEST_0	OCC(C)OCC(OCC(OC)C)C	C25498491
TEST_0	O=C(N)C(=C)C	C79390
TEST_0	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
TEST_0	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
TEST_0	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
TEST_0	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
TEST_0	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
TEST_0	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
TEST_0	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
TEST_0	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
TEST_0	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
TEST_0	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
TEST_0	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
TEST_0	N#CC(Br)(C(=O)N)Br	C10222012
TEST_0	S=P(OCC)(OCC)SCSCC	C298022
TEST_0	O=Cc1ccccc1C=O	C643798
TEST_0	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
TEST_0	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
TEST_0	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
TEST_0	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
TEST_0	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
TEST_0	O=c1n(C)sc(Cl)c1	C26172554
TEST_0	O=C1CCC(O1)CCCCCCC	C104676
TEST_0	Oc1cc(C)ccc1C(C)C	C89838
TEST_0	O=C(O)CCCCCCCCC=C	C112389
TEST_0	O=C1NC(=O)C(N1CO)(C)C	C116256
TEST_0	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
TEST_0	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
TEST_0	CCCCCCCCN(C)C	C7378996
TEST_0	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
TEST_0	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
TEST_0	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
TEST_0	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
TEST_0	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
TEST_0	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
TEST_0	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
TEST_0	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
TEST_0	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
TEST_0	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
TEST_0	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
TEST_0	O=C(OCC)CCC(=O)OCC	C123251
TEST_0	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
TEST_0	O=C(CCC)OCC	C105544
TEST_0	O=C(OCC)CCCCCC	C106309
TEST_0	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
TEST_0	O=C(OCCCC)c1ccccc1	C136607
TEST_0	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
TEST_0	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
TEST_0	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
TEST_0	Oc1ccc(cc1C(C)(C)C)OC	C121006
TEST_0	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
TEST_0	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
TEST_0	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
TEST_0	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
TEST_0	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
TEST_0	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
TEST_0	O=C(CCC)OCCC(C)C	C106274
TEST_0	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
TEST_0	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
TEST_0	CCCCCCCCN(CCCCCCCC)C	C4455269
TEST_0	CCCc1ccccc1	C103651
TEST_0	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
TEST_0	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
TEST_0	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
TEST_0	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
TEST_0	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
TEST_0	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
TEST_0	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
TEST_0	CN(C)CCCN(C)CCCN(C)C	C3855321
TEST_0	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
TEST_0	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
TEST_0	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
TEST_0	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
TEST_0	CC(C)(C)c1ccccc1	C98066
TEST_0	O=C(C)NC	C79163
TEST_0	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
TEST_0	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
TEST_0	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
TEST_0	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
TEST_0	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
TEST_0	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
TEST_0	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
TEST_0	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
TEST_0	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
TEST_0	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
TEST_0	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
TEST_0	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
TEST_0	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
TEST_0	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
TEST_0	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
TEST_0	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
TEST_0	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
TEST_0	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
TEST_0	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
TEST_0	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
TEST_0	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
TEST_0	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
TEST_0	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
TEST_0	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
TEST_0	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
TEST_0	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
TEST_0	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
TEST_0	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
TEST_0	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
TEST_0	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
TEST_0	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
TEST_0	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
TEST_0	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
TEST_0	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
TEST_0	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
TEST_0	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
TEST_0	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
TEST_0	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
TEST_0	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
TEST_0	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
TEST_0	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
TEST_0	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
TEST_0	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
TEST_0	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
TEST_0	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
TEST_0	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
TEST_0	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
TEST_0	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
TEST_0	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
TEST_0	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
TEST_0	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
TEST_0	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
TEST_0	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
TEST_0	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
TEST_0	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
TEST_0	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
TEST_0	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
TEST_0	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
TEST_0	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
TEST_0	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
TEST_0	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
TEST_0	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
TEST_0	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
TEST_0	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
TEST_0	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
TEST_0	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
TEST_0	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
TEST_0	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
TEST_0	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
TEST_0	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
TEST_0	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
TEST_0	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
TEST_0	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
TEST_0	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
TEST_0	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
TEST_0	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
TEST_0	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
TEST_0	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
TEST_0	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
TEST_0	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
TEST_0	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
TEST_0	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
TEST_0	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
TEST_0	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
TEST_0	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
TEST_0	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
TEST_0	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
TEST_0	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
TEST_0	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
TEST_0	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
TEST_0	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
TEST_0	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
TEST_0	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
TEST_0	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
TEST_0	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
TEST_0	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
TEST_0	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
TEST_0	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
TEST_0	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
TEST_0	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
TEST_0	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
TEST_0	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
TEST_0	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
TEST_0	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
TEST_0	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
TEST_0	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
TEST_0	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
TEST_0	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
TEST_0	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
TEST_0	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
TEST_0	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
TEST_0	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
TEST_0	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
TEST_0	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
TEST_0	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
TEST_0	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
TEST_0	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
TEST_0	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
TEST_0	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
TEST_0	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
TEST_0	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
TEST_0	Oc1cc2c(cc1)Cc1ccccc21	C6344678
TEST_0	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
TEST_0	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
TEST_0	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
TEST_0	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
TEST_0	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
TEST_0	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
TEST_0	C1(CCCCC1)SSC1CCCCC1	C2550405
TEST_0	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
TEST_0	CCCCCCCCCCCCc1ccccc1	C123013
TEST_0	C=CCCCCCCCCCCCC	C1120361
TEST_0	C(=O)N	C75127
TEST_0	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
TEST_0	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
TEST_0	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
TEST_0	OC(C(CC)CCCC)C#C	C5877429
TEST_0	N#CC(Br)Br	C3252435
TEST_0	OCCCBr	C627189
TEST_0	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
TEST_0	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
TEST_0	C(=O)(C)O	C64197
TEST_0	[O-][N+](C)(C)CCCCCCCCCC	C2605790
TEST_0	C(CO)C(C)C	C123513
TEST_0	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
TEST_0	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
TEST_0	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
TEST_0	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
TEST_0	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
TEST_0	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
TEST_0	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
TEST_0	NCCOCCOCCN	C929599
TEST_0	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
TEST_0	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
TEST_0	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
TEST_0	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
TEST_0	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
TEST_0	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
TEST_0	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
TEST_0	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
TEST_0	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
TEST_0	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
TEST_0	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
TEST_0	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
TEST_0	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
TEST_0	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
TEST_0	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
TEST_0	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
TEST_0	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
TEST_0	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
TEST_0	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
TEST_0	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
TEST_0	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
TEST_0	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
TEST_0	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
TEST_0	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
TEST_0	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
TEST_0	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
TEST_0	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
TEST_0	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
TEST_0	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
TEST_0	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
TEST_0	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
TEST_0	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
TEST_0	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
TEST_0	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
TEST_0	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
TEST_0	OCCC(OC)C	C2517433
TEST_0	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
TEST_0	S=C(NCCCC)NCCCC	C109466
TEST_0	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
TEST_0	O=CCC(C)CCC=C(C)C	C106230
TEST_0	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
TEST_0	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
TEST_0	O=COCC	C109944
TEST_0	O=C(OCC)c1ccccc1	C93890
TEST_0	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
TEST_0	O=CCCCCCCCCC/C=C\CCCC	C53939289
TEST_0	NCc1cccc(CN)c1	C1477550
TEST_0	O=CCCSC	C3268493
TEST_0	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
TEST_0	CC1(C)C2C(=CCC1C2)C	C80568
TEST_0	N(CCN(C)C)(C)C	C110189
TEST_0	CCN(CC)CC	C121448
TEST_0	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
TEST_0	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
TEST_0	CC(=O)OCC	C141786
TEST_0	CC(=O)OCCCC	C123864
TEST_0	CC(=O)CCC(C)C	C110123
TEST_0	n1cc(C)ccc1	C108996
TEST_0	CC(=O)CC(C)C	C108101
TEST_0	NCCN	C107153
TEST_0	CC(C)C=O	C78842
TEST_0	CCCCCC=O	C66251
TEST_0	CCCC=O	C123728
TEST_0	CC(CN(CC(C)O)CC(C)O)O	C122203
TEST_0	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
TEST_0	CCC1CO1	C106887
TEST_0	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
TEST_0	CC1CC(=O)O1	C3068880
TEST_0	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
TEST_0	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
TEST_0	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
TEST_0	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
TEST_0	O=C(/C=C\C(=O)OCC)OCC	C141059
TEST_0	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
TEST_0	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
TEST_0	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
TEST_0	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
TEST_0	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
TEST_0	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
TEST_0	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
TEST_0	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
TEST_0	S=C(N(C)C)SC(=S)N(C)C	C97745
TEST_0	S=P(N1CC1)(N1CC1)N1CC1	C52244
TEST_0	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
TEST_0	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
TEST_0	N#Cc1ccccc1	C100470
TEST_0	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
TEST_0	O=C(CCl)CCl	C534076
TEST_0	CC(c1ccc(CO)cc1)C	C536607
TEST_0	CC(=O)C(=O)O	C127173
TEST_0	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
TEST_0	c1ccccc1NC(=O)c1c(O)cccc1	C87172
TEST_0	CN(C)c1ccc(C=O)cc1	C100107
TEST_0	c1c(I)c(O)c(I)cc1C#N	C1689834
TEST_0	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
TEST_0	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
TEST_0	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
TEST_0	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
TEST_0	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
TEST_0	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
TEST_0	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
TEST_0	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
TEST_0	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
TEST_0	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
TEST_0	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
TEST_0	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
TEST_0	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
TEST_0	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
TEST_0	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
TEST_0	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
TEST_0	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
TEST_0	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
TEST_0	N(=C=NC1CCCCC1)C1CCCCC1	C538750
TEST_0	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
TEST_0	Nc1ccc(OC)cc1	C104949
TEST_0	Oc1c(O)cc(cc1)C(C)(C)C	C98293
TEST_0	C(=O)(O)c1ccc(Cl)cc1	C74113
TEST_0	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
TEST_0	O=CC=CC=CCCCCC	C25152845
TEST_0	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
TEST_0	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
TEST_0	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
TEST_0	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
TEST_0	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
TEST_0	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
TEST_0	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
TEST_0	CCCCCc1cc(O)cc(O)c1	C500663
TEST_0	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
TEST_0	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
TEST_0	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
TEST_0	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
TEST_0	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
TEST_0	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
TEST_0	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
TEST_0	O=C(O)c1cc2c(cc1O)cccc2	C92706
TEST_0	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
TEST_0	ClC(=O)OCCOCCOC(=O)Cl	C106752
TEST_0	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
TEST_0	OCC=C(C)C	C556821
TEST_0	ClC(=O)C(CC)CCCC	C760678
TEST_0	O=C(O)C(=O)C(C)(C)C	C815178
TEST_0	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
TEST_0	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
TEST_0	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
TEST_0	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
TEST_0	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
TEST_0	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
TEST_0	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
TEST_0	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
TEST_0	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
TEST_0	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
TEST_0	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
TEST_0	OCc1c[nH]c2c1cccc2	C700061
TEST_0	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
TEST_0	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
TEST_0	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
TEST_0	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
TEST_0	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
TEST_0	O=c1cc(C)o[nH]1	C10004441
TEST_0	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
TEST_0	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
TEST_0	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
TEST_0	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
TEST_0	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
TEST_0	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
TEST_0	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
TEST_0	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
TEST_0	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
TEST_0	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
TEST_0	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
TEST_0	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
TEST_0	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
TEST_0	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
TEST_0	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
TEST_0	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
TEST_0	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
TEST_0	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
TEST_0	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
TEST_0	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
TEST_0	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
TEST_0	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
TEST_0	O=CCCCCCCCCC=C	C112458
TEST_0	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
TEST_0	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
TEST_0	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
TEST_0	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
TEST_0	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
TEST_0	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
TEST_0	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
TEST_0	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
TEST_0	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
TEST_0	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
TEST_0	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
TEST_0	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
TEST_0	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
TEST_0	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
TEST_0	Br[Sn](CC)(CC)CC	C2767546
TEST_0	O=C(O)c1ccc([Hg]Cl)cc1	C59858
TEST_0	O=P(OCCCC)(O)OCCCC	C107664
TEST_0	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
TEST_0	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
TEST_0	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
TEST_0	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
TEST_0	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
TEST_0	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
TEST_0	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
TEST_0	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
TEST_0	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
TEST_0	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
TEST_0	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
TEST_0	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
TEST_0	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
TEST_0	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
TEST_0	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
TEST_0	O=C1CC(C)(C)NC(C)(C)C1	C826368
TEST_0	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
TEST_0	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
TEST_0	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
TEST_0	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
TEST_0	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
TEST_0	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
TEST_0	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
TEST_0	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
TEST_0	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
TEST_0	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
TEST_0	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
TEST_0	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
TEST_0	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
TEST_0	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
TEST_0	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
TEST_0	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
TEST_0	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
TEST_0	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
TEST_0	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
TEST_0	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
TEST_0	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
TEST_0	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
TEST_0	N#CSCCCCCCCCCCCC	C765151
TEST_0	OCCN(CCCCCCCCCCCC)CCO	C1541679
TEST_0	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
TEST_0	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
TEST_0	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
TEST_0	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
TEST_0	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
TEST_0	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
TEST_0	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
TEST_0	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
TEST_0	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
TEST_0	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
TEST_0	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
TEST_0	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
TEST_0	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
TEST_0	IC(=C(I)I)I	C513928
TEST_0	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
TEST_0	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
TEST_0	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
TEST_0	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
TEST_0	O=CN1CCCCC1	C2591868
TEST_0	O=C(O)CCSCCC(=O)O	C111171
TEST_0	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
TEST_0	CCCCCCCCCCCCN.Cl	C929737
TEST_0	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
TEST_0	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
TEST_0	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
TEST_0	BrCCCCCCCCCCCC	C143157
TEST_0	O=C(CC(=O)C)OC(C)(C)C	C1694311
TEST_0	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
TEST_0	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
TEST_0	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
TEST_0	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
TEST_0	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
TEST_0	OC(C)C(=O)O[Hg]c1ccccc1	C122645
TEST_0	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
TEST_0	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
TEST_0	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
TEST_0	N#C[Au-]C#N.[K+]	C13967505
TEST_0	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
TEST_0	O=C(OC)CCCC(=O)O	C1501275
TEST_0	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
TEST_0	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
TEST_0	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
TEST_0	O=C(OCCOC(=O)C=C)C=C	C2274115
TEST_0	O=C(OCCCCO)C=C	C2478106
TEST_0	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
TEST_0	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
TEST_0	CC1(C)COP(Oc2ccccc2)OC1	C3057087
TEST_0	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
TEST_0	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
TEST_0	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
TEST_0	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
TEST_0	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
TEST_0	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
TEST_0	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
TEST_0	NCCCOCCCCCCCC	C15930662
TEST_0	O=C(OCC(O)COc1ccccc1)C=C	C16969101
TEST_0	Nc1cccc(C)n1	C1824813
TEST_0	O=C(O)CCCCCCCCCC(=O)O	C1852046
TEST_0	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
TEST_0	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
TEST_0	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
TEST_0	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
TEST_0	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
TEST_0	CC1COc2ccccc2N1	C32329207
TEST_0	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
TEST_0	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
TEST_0	O=C([O-])c1cnccc1.[Na+]	C54864
TEST_0	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
TEST_0	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
TEST_0	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
TEST_0	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
TEST_0	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
TEST_0	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
TEST_0	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
TEST_0	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
TEST_0	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
TEST_0	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
TEST_0	O=C/C=C/CCCCCCC	C3913813
TEST_0	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
TEST_0	SC1CCCC1	C1679078
TEST_0	COC(OC)C(C)c1ccccc1	C90879
TEST_0	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
TEST_0	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
TEST_0	S=C=NCCCSC	C505793
TEST_0	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
TEST_0	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
TEST_0	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
TEST_0	O=C(C)c1cc2c(cc1)CCCC2	C774550
TEST_0	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
TEST_0	O=C(CC)OCCC(C)CCC=C(C)C	C141140
TEST_0	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
TEST_0	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
TEST_0	CC/C=C\CCOC(OCC)C	C28069741
TEST_0	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
TEST_0	NNC(=O)OCc1ccccc1	C5331431
TEST_0	CC1(C)C2CC(=CCC12)C	C13466789
TEST_0	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
TEST_0	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
TEST_0	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
TEST_0	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
TEST_0	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
TEST_0	O=C(O)CSCCCCCCCCCCC	C116296312
TEST_0	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
TEST_0	Oc1cc2c(cc1)c1ccccc1C2	C2443585
TEST_0	CCCCCCCCCC(C)C=O	C110418
TEST_0	O=COCc1ccc(OC)cc1	C122918
TEST_0	CCCCCc1ccco1	C3777693
TEST_0	CCC(=O)C(=O)CC	C4437518
TEST_0	OC1(C)SCC(O)(C)SC1	C55704784
TEST_0	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
TEST_1	CC(=O)N	C60355
TEST_1	C=CC#N	C107131
TEST_1	O=C1C(NC(=O)N1)NC(=O)N	C97596
TEST_1	C=CCN=C=S	C57067
TEST_1	c1(nc[nH]n1)N	C61825
TEST_1	Nc1ccccc1.Cl	C142041
TEST_1	Nc1ccc(OC)cc1.Cl	C20265978
TEST_1	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
TEST_1	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
TEST_1	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
TEST_1	CC(CNCC(C)O)O	C110974
TEST_1	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
TEST_1	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
TEST_1	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
TEST_1	Clc1c(ccc(c1)N)C	C95749
TEST_1	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
TEST_1	[N+].c1(N(N=O)[O-])ccccc1	C135206
TEST_1	NC(=N)NC#N	C461585
TEST_1	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
TEST_1	S=C(NCC)NCC	C105555
TEST_1	CN(C)C(=O)C	C127195
TEST_1	CN(CCO)C	C108010
TEST_1	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
TEST_1	CN(C)N	C57147
TEST_1	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
TEST_1	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
TEST_1	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
TEST_1	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
TEST_1	O=C(Nc1ccccc1)OC(C)C	C122429
TEST_1	NC(=O)OC	C598550
TEST_1	NC(=O)c1cccnc1	C98920
TEST_1	O=[N+](CC)[O-]	C79243
TEST_1	CN(C(=O)N)N=O	C684935
TEST_1	CN(N=O)C	C62759
TEST_1	N(c1ccc(cc1)N=O)c1ccccc1	C156105
TEST_1	O=NN1CCCC1	C930552
TEST_1	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
TEST_1	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
TEST_1	Nc1ccc(cc1)N	C106503
TEST_1	O=C(N(CCCC)CC)SCCC	C1114712
TEST_1	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
TEST_1	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
TEST_1	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
TEST_1	c12c(C(=O)NS1(=O)=O)cccc2	C81072
TEST_1	NC(=S)N	C62566
TEST_1	Nc1ccccc1C.Cl	C636215
TEST_1	c1(O)ccccc1C(=O)N	C65452
TEST_1	OC(C)CN	C78966
TEST_1	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
TEST_1	Oc1c([N+](=O)[O-])cccc1	C88755
TEST_1	c1cc(N)ccc1C(=O)OCC	C94097
TEST_1	Nc1cc(Cl)c(Cl)cc1	C95761
TEST_1	ON=C1CCCCC1	C100641
TEST_1	OCCN1CCNCC1	C103764
TEST_1	Nc1ccc(CCCC)cc1	C104132
TEST_1	N#CCC#N	C109773
TEST_1	CCNCCO	C110736
TEST_1	CCCCCCCCCCCCN	C124221
TEST_1	NCCN1CCNCC1	C140318
TEST_1	CCCCCCCCCCN	C2016571
TEST_1	Nc1ccc(OCCCCCC)cc1	C39905572
TEST_1	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
TEST_1	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
TEST_1	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
TEST_1	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
TEST_1	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
TEST_1	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
TEST_1	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
TEST_1	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
TEST_1	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
TEST_1	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
TEST_1	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
TEST_1	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
TEST_1	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
TEST_1	NC(CO)(CO)CO	C77861
TEST_1	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
TEST_1	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
TEST_1	[NH4+].[O-]S(=O)(=O)N	C7773060
TEST_1	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
TEST_1	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
TEST_1	CNC	C124403
TEST_1	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
TEST_1	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
TEST_1	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
TEST_1	CC(=C)C#N	C126987
TEST_1	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
TEST_1	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
TEST_1	O=C(N)N=NC(=O)N	C123773
TEST_1	ON=CCCC	C110690
TEST_1	C(C)(C)(C)N	C75649
TEST_1	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
TEST_1	C(CCN)CCCN	C124094
TEST_1	N#CC(Br)(CCC#N)CBr	C35691657
TEST_1	N(C1CCCCC1)C1CCCCC1	C101837
TEST_1	N(CCN)CCN	C111400
TEST_1	N(C)(C)c1cccc(O)c1	C99070
TEST_1	N(CCCN)(C)C	C109557
TEST_1	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
TEST_1	OCNC(=O)NCO	C140954
TEST_1	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
TEST_1	O=C(OCC)c1c(N)cccc1	C87252
TEST_1	N([Si](C)(C)C)[Si](C)(C)C	C999973
TEST_1	C(C)(C)(O)C#N	C75865
TEST_1	N#CC(CCC#N)C	C4553622
TEST_1	C1COCCN1	C110918
TEST_1	[N+](=O)([O-])c1ccccc1N	C88744
TEST_1	O(c1ccc(N)cc1)CC	C156434
TEST_1	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
TEST_1	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
TEST_1	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
TEST_1	N(C)(C)C	C75503
TEST_1	N#CC(C)C	C78820
TEST_1	O=C1C2C(CC=CC2)C(=O)N1	C85405
TEST_1	O=C1c2c(cccc2)C(=O)N1	C85416
TEST_1	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
TEST_1	N1(SSN2CCOCC2)CCOCC1	C103344
TEST_1	N1CCCCCC1	C111499
TEST_1	CCCCCCCCCCCCN(C)C	C112185
TEST_1	OCC(N)(C)C	C124685
TEST_1	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
TEST_1	O=C1c2c(cccc2)C(=O)N1C	C550447
TEST_1	O=C1NCCC1	C616455
TEST_1	NCCC[Si](OCC)(OCC)OCC	C919302
TEST_1	O=C(N)[O-].[NH4+]	C1111780
TEST_1	O=C(N(C)C)CCCCCCC	C1118929
TEST_1	Nc1cccc(C)c1C	C1300738
TEST_1	NCCNCCC[Si](OC)(OC)OC	C1760243
TEST_1	O=C(N(C)C)CC(=O)C	C2044646
TEST_1	NNC(=S)NN	C2231574
TEST_1	O=S(=O)(c1ccccc1)NCCCC	C3622842
TEST_1	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
TEST_1	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
TEST_1	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
TEST_1	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
TEST_1	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
TEST_1	Nc1c(C)cccc1CC	C24549062
TEST_1	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
TEST_1	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
TEST_1	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
TEST_1	O=S(=O)(c1ccc(C)cc1)N	C70553
TEST_1	CN1CCOCC1	C109024
TEST_1	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
TEST_1	[S-]C(=S)NC.[Na+]	C137428
TEST_1	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
TEST_1	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
TEST_1	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
TEST_1	N#C[S-].[NH4+]	C1762954
TEST_1	[O-][N+](=O)[O-].[K+]	C7757791
TEST_1	Nc1cc(Cl)cc(Cl)c1	C626437
TEST_1	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
TEST_1	O=C1NC2NC(=O)NC2N1	C496468
TEST_1	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
TEST_1	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
TEST_1	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
TEST_1	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
TEST_1	CCN1CN(CC)CN(CC)C1	C7779273
TEST_1	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
TEST_1	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
TEST_1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
TEST_1	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
TEST_1	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
TEST_1	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
TEST_1	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
TEST_1	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
TEST_1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
TEST_1	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
TEST_1	O=S(=O)(N)O	C5329146
TEST_1	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
TEST_1	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
TEST_1	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
TEST_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
TEST_1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
TEST_1	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
TEST_1	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
TEST_1	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
TEST_1	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
TEST_1	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
TEST_1	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
TEST_1	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
TEST_1	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
TEST_1	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
TEST_1	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
TEST_1	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
TEST_1	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
TEST_1	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
TEST_1	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
TEST_1	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
TEST_1	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
TEST_1	CC(=CCCC(=CC#N)C)C	C5146667
TEST_1	O=C1N(CCCCCCCC)CCC1	C2687947
TEST_1	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
TEST_1	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
TEST_1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
TEST_1	Clc1nc(N)nc(NC(C)C)n1	C6190654
TEST_1	O=C(N(C)C)Nc1ccccc1	C101428
TEST_1	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
TEST_1	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
TEST_1	Nc1ccc([N+](=O)[O-])cc1OC	C97529
TEST_1	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
TEST_1	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
TEST_1	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
TEST_1	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
TEST_1	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
TEST_1	Nc1ccc(CCCCC)cc1	C33228443
TEST_1	Nc1ccc(CCCCCC)cc1	C33228454
TEST_1	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
TEST_1	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
TEST_1	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
TEST_1	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
TEST_1	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
TEST_1	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
TEST_1	O=C1C=CC(=O)N1c1ccccc1	C941695
TEST_1	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
TEST_1	Oc1ccccc1CN(C)C	C120650
TEST_1	O=C1NC(=O)C(N1)(CC)C	C5394365
TEST_1	O=C(Nc1ccccc1)CCl	C587655
TEST_1	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
TEST_1	O=C(N)Nc1ccc(Cl)cc1	C140385
TEST_1	NCCCN1CCOCC1	C123002
TEST_1	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
TEST_1	N#Cc1c(O)cccc1	C611201
TEST_1	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
TEST_1	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
TEST_1	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
TEST_1	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
TEST_1	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
TEST_1	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
TEST_1	OCCN(CC)CCO	C139877
TEST_1	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
TEST_1	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
TEST_1	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
TEST_1	CCCCCCCCCCCCN1CCOCC1	C1541817
TEST_1	CC(C)N(C(C)C)c1ccccc1	C4107986
TEST_1	S=C(NC)NC	C534134
TEST_1	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
TEST_1	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
TEST_1	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
TEST_1	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
TEST_1	O=C(N)Nc1ccccc1	C64108
TEST_1	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
TEST_1	NNC(=S)NC	C6610293
TEST_1	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
TEST_1	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
TEST_1	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
TEST_1	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
TEST_1	NCCN.I.I	C5700492
TEST_1	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
TEST_1	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
TEST_1	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
TEST_1	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
TEST_1	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
TEST_1	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
TEST_1	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
TEST_1	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
TEST_1	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
TEST_1	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
TEST_1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
TEST_1	Nc1ccc(CCC)cc1	C2696846
TEST_1	Nc1ccc(C(C)(C)C)cc1	C769926
TEST_1	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
TEST_1	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
TEST_1	Nc1ccc(cc1)OCCCC	C4344552
TEST_1	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
TEST_1	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
TEST_1	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
TEST_1	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
TEST_1	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
TEST_1	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
TEST_1	O=C(CCC(=O)O)NN(C)C	C1596845
TEST_1	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
TEST_1	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
TEST_1	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
TEST_1	S=P(SCC(=O)NC)(OC)OC	C60515
TEST_1	S=C1NCCN1	C96457
TEST_1	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
TEST_1	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
TEST_1	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
TEST_1	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
TEST_1	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
TEST_1	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
TEST_1	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
TEST_1	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
TEST_1	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
TEST_1	Clc1nc(nc(n1)NCC)NCC	C122349
TEST_1	S=C(N(C)C)SSC(=S)N(C)C	C137268
TEST_1	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
TEST_1	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
TEST_1	CC(C)Oc1ccccc1OC(=O)NC	C114261
TEST_1	c1ccccc1Nc1ccccc1	C122394
TEST_1	CCN(CC)C(=O)c1cccc(C)c1	C134623
TEST_1	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
TEST_1	c1c(Br)c(O)c(Br)cc1C#N	C1689845
TEST_1	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
TEST_1	CSC(=NOC(=O)NC)C	C16752775
TEST_1	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
TEST_1	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
TEST_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
TEST_1	O=C(C)NP(=O)(OC)SC	C30560191
TEST_1	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
TEST_1	CSc1nc(NCC)nc(NC(C)C)n1	C834128
TEST_1	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
TEST_1	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
TEST_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
TEST_1	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
TEST_1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
TEST_1	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
TEST_1	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
TEST_1	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
TEST_1	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
TEST_1	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
TEST_1	Nc1nc(N)nc(NC2CC2)n1	C66215278
TEST_1	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
TEST_1	CCCN(CCC)C(=O)SCC	C759944
TEST_1	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
TEST_1	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
TEST_1	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
TEST_1	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
TEST_1	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
TEST_1	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
TEST_1	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
TEST_1	[Cl-].C[N+]1(C)CCCCC1	C24307264
TEST_1	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
TEST_1	NP(=O)(OC)SC	C10265926
TEST_1	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
TEST_1	O=C(SCC)N1CCCCCC1	C2212671
TEST_1	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
TEST_1	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
TEST_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
TEST_1	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
TEST_1	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
TEST_1	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
TEST_1	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
TEST_1	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
TEST_1	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
TEST_1	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
TEST_1	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
TEST_1	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
TEST_1	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
TEST_1	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
TEST_1	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
TEST_1	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
TEST_1	CN1CN(C)CSC1=S	C533744
TEST_1	C(SC#N)SC#N	C6317186
TEST_1	S=C=NC	C556616
TEST_1	O=C(NCCCC)OCC#CI	C55406536
TEST_1	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
TEST_1	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
TEST_1	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
TEST_1	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
TEST_1	O=C(N(CC)C1CCCCC1)SCC	C1134232
TEST_1	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
TEST_1	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
TEST_1	N#Cc1c(Cl)cccc1Cl	C1194656
TEST_1	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
TEST_1	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
TEST_1	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
TEST_1	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
TEST_1	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
TEST_1	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
TEST_1	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
TEST_1	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
TEST_1	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
TEST_1	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
TEST_1	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
TEST_1	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
TEST_1	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
TEST_1	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
TEST_1	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
TEST_1	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
TEST_1	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
TEST_1	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
TEST_1	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
TEST_1	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
TEST_1	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
TEST_1	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
TEST_1	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
TEST_1	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
TEST_1	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
TEST_1	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
TEST_1	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
TEST_1	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
TEST_1	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
TEST_1	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
TEST_1	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
TEST_1	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
TEST_1	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
TEST_1	N#CSCSc1nc2ccccc2s1	C21564170
TEST_1	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
TEST_1	O=C(Nc1ccccc1)Nc1cnns1	C51707552
TEST_1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
TEST_1	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
TEST_1	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
TEST_1	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
TEST_1	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
TEST_1	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
TEST_1	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
TEST_1	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
TEST_1	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
TEST_1	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
TEST_1	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
TEST_1	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
TEST_1	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
TEST_1	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
TEST_1	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
TEST_1	N#CN	C420042
TEST_1	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
TEST_1	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
TEST_1	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
TEST_1	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
TEST_1	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
TEST_1	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
TEST_1	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
TEST_1	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
TEST_1	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
TEST_1	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
TEST_1	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
TEST_1	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
TEST_1	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
TEST_1	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
TEST_1	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
TEST_1	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
TEST_1	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
TEST_1	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
TEST_1	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
TEST_1	O=C(NCCCN(C)C)OCCC.Cl	C25606411
TEST_1	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
TEST_1	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
TEST_1	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
TEST_1	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
TEST_1	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
TEST_1	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
TEST_1	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
TEST_1	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
TEST_1	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
TEST_1	Clc1nc(NCC)nc(N)n1	C1007289
TEST_1	CC(C=NOC(=O)NC)(SC)C	C116063
TEST_1	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
TEST_1	CNC(=S)[S-].[Na+].O.O.O	C6734801
TEST_1	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
TEST_1	c1(ccc(cc1)O)NC(=O)C	C103902
TEST_1	NC(=O)C=C	C79061
TEST_1	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
TEST_1	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
TEST_1	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
TEST_1	[Na+].[N-]=[N+]=[N-]	C26628228
TEST_1	c1(N=Nc2ccccc2)ccccc1	C103333
TEST_1	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
TEST_1	Nc1ccc(c2ccc(N)cc2)cc1	C92875
TEST_1	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
TEST_1	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
TEST_1	O=C1CCCCCN1	C105602
TEST_1	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
TEST_1	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
TEST_1	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
TEST_1	Nc1c(ccc(c1)Cl)N	C95830
TEST_1	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
TEST_1	Nc1ccc(cc1)Cl	C106478
TEST_1	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
TEST_1	Nc1cc(ccc1OC)C	C120718
TEST_1	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
TEST_1	Nc1c(ccc(c1)N)C	C95807
TEST_1	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
TEST_1	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
TEST_1	CN(c1ccccc1)C	C121697
TEST_1	O=C(N(C)C)Cl	C79447
TEST_1	CN(C=O)C	C68122
TEST_1	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
TEST_1	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
TEST_1	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
TEST_1	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
TEST_1	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
TEST_1	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
TEST_1	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
TEST_1	C1N2CN3CN(C2)CN1C3	C100970
TEST_1	N(c1ccccc1)Nc1ccccc1	C122667
TEST_1	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
TEST_1	O=C(c1ccncc1)NN	C54853
TEST_1	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
TEST_1	O=C1N(CCC1)C	C872504
TEST_1	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
TEST_1	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
TEST_1	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
TEST_1	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
TEST_1	Nc1c2c(ccc1)c(ccc2)N	C2243621
TEST_1	Nc1cc2c(cccc2)cc1	C91598
TEST_1	CN1CCC[C@H]1c1cnccc1	C54115
TEST_1	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
TEST_1	O=N[O-].[Na+]	C7632000
TEST_1	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
TEST_1	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
TEST_1	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
TEST_1	O=[N+](c1ccc(cc1)N)[O-]	C100016
TEST_1	O=[N+](c1ccccc1)[O-]	C98953
TEST_1	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
TEST_1	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
TEST_1	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
TEST_1	O=NN(CCCC)CCCC	C924163
TEST_1	CCN(CC)N=O	C55185
TEST_1	O=NN(c1ccccc1)c1ccccc1	C86306
TEST_1	O=NN(CCC)CCC	C621647
TEST_1	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
TEST_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
TEST_1	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
TEST_1	N1c2c(cccc2)Sc2ccccc12	C92842
TEST_1	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
TEST_1	Nc1cc(ccc1)N	C108452
TEST_1	C1CNCCN1	C110850
TEST_1	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
TEST_1	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
TEST_1	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
TEST_1	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
TEST_1	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
TEST_1	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
TEST_1	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
TEST_1	OCCN(CCO)CCO	C102716
TEST_1	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
TEST_1	C(=O)(N)N	C57136
TEST_1	NC(=O)OCC	C51796
TEST_1	O=C1N(C=C)CCC1	C88120
TEST_1	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
TEST_1	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
TEST_1	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
TEST_1	CC1(C)NC(=O)NC1=O	C77714
TEST_1	CCN(CC)c1ccccc1	C91667
TEST_1	CCC(=NO)C	C96297
TEST_1	Cc1cc([N+](=O)[O-])ccc1	C99081
TEST_1	CN(C)c1ccc(C)cc1	C99978
TEST_1	Oc1ccc([N+](=O)[O-])cc1	C100027
TEST_1	CCN(CCO)CC	C100378
TEST_1	CCNc1cc(C)ccc1	C102272
TEST_1	Nc1ccc(C)cc1	C106490
TEST_1	OCCNCCO	C111422
TEST_1	N#CCCCCC#N	C111693
TEST_1	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
TEST_1	OCCN	C141435
TEST_1	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
TEST_1	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
TEST_1	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
TEST_1	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
TEST_1	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
TEST_1	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
TEST_1	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
TEST_1	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
TEST_1	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
TEST_1	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
TEST_1	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
TEST_1	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
TEST_1	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
TEST_1	O=N(=O)c1ccc(C)cc1	C99990
TEST_1	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
TEST_1	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
TEST_1	Nc1c(OC)cccc1	C90040
TEST_1	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
TEST_1	NC1CCCCC1	C108918
TEST_1	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
TEST_1	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
TEST_1	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
TEST_1	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
TEST_1	O=C=NCCCCCCN=C=O	C822060
TEST_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
TEST_1	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
TEST_1	O=C(SCCC)N(CCC)CCC	C1929777
TEST_1	ON=CC(C)(C)SC	C1646759
TEST_1	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
TEST_1	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
TEST_1	O=C(O)c1ccc(N)cc1	C150130
TEST_1	Oc1c(ccc(N)c1)C	C2835952
TEST_1	[O-][N+](=O)C(CO)(CO)Br	C52517
TEST_1	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
TEST_1	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
TEST_1	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
TEST_1	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
TEST_1	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
TEST_1	Nc1cc(C)ccc1N	C496720
TEST_1	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
TEST_1	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
TEST_1	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
TEST_1	Cc1cccc(c1C)[N+](=O)[O-]	C83410
TEST_1	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
TEST_1	N=C(Nc1ccccc1)Nc1ccccc1	C102067
TEST_1	N(c1ccccc1)CC	C103695
TEST_1	C(=O)(N)NO	C127071
TEST_1	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
TEST_1	O=C(OC)c1c(N)cccc1	C134203
TEST_1	O=C(NCNC(=O)C=C)C=C	C110269
TEST_1	[N+](=O)([O-])c1ccccc1C	C88722
TEST_1	Nc1c(N)cccc1	C95545
TEST_1	N(c1ccccc1)c1ccc(N)cc1	C101542
TEST_1	O=C=Nc1cc(N=C=O)ccc1C	C584849
TEST_1	Nc1c(cccc1)C	C95534
TEST_1	N(CCCC)(CCCC)CCCC	C102829
TEST_1	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
TEST_1	Nc1c(cccc1C)C	C87627
TEST_1	N#Cc1cnccc1	C100549
TEST_1	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
TEST_1	Nc1cccc(C)c1	C108441
TEST_1	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
TEST_1	OCC(CO)([N+](=O)[O-])CO	C126114
TEST_1	[S-]C(=S)N(C)C.[Na+]	C128041
TEST_1	Nc1c(CC)cccc1CC	C579668
TEST_1	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
TEST_1	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
TEST_1	Nc1cccc(C)c1N	C2687254
TEST_1	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
TEST_1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
TEST_1	CCC12N(COC1)COC2	C7747355
TEST_1	O=C(N)C(=C)C	C79390
TEST_1	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
TEST_1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
TEST_1	N#CC(Br)(C(=O)N)Br	C10222012
TEST_1	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
TEST_1	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
TEST_1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
TEST_1	Nn1cnnc1	C584134
TEST_1	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
TEST_1	O=C1NC(=O)C(N1CO)(C)C	C116256
TEST_1	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
TEST_1	CCCCCCCCN(C)C	C7378996
TEST_1	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
TEST_1	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
TEST_1	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
TEST_1	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
TEST_1	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
TEST_1	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
TEST_1	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
TEST_1	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
TEST_1	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
TEST_1	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
TEST_1	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
TEST_1	CCCCCCCCN(CCCCCCCC)C	C4455269
TEST_1	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
TEST_1	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
TEST_1	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
TEST_1	CN(C)CCCN(C)CCCN(C)C	C3855321
TEST_1	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
TEST_1	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
TEST_1	O=C(C)NC	C79163
TEST_1	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
TEST_1	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
TEST_1	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
TEST_1	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
TEST_1	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
TEST_1	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
TEST_1	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
TEST_1	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
TEST_1	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
TEST_1	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
TEST_1	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
TEST_1	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
TEST_1	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
TEST_1	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
TEST_1	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
TEST_1	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
TEST_1	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
TEST_1	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
TEST_1	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
TEST_1	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
TEST_1	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
TEST_1	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
TEST_1	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
TEST_1	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
TEST_1	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
TEST_1	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
TEST_1	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
TEST_1	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
TEST_1	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
TEST_1	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
TEST_1	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
TEST_1	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
TEST_1	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
TEST_1	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
TEST_1	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
TEST_1	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
TEST_1	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
TEST_1	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
TEST_1	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
TEST_1	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
TEST_1	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
TEST_1	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
TEST_1	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
TEST_1	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
TEST_1	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
TEST_1	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
TEST_1	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
TEST_1	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
TEST_1	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
TEST_1	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
TEST_1	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
TEST_1	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
TEST_1	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
TEST_1	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
TEST_1	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
TEST_1	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
TEST_1	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
TEST_1	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
TEST_1	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
TEST_1	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
TEST_1	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
TEST_1	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
TEST_1	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
TEST_1	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
TEST_1	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
TEST_1	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
TEST_1	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
TEST_1	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
TEST_1	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
TEST_1	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
TEST_1	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
TEST_1	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
TEST_1	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
TEST_1	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
TEST_1	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
TEST_1	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
TEST_1	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
TEST_1	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
TEST_1	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
TEST_1	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
TEST_1	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
TEST_1	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
TEST_1	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
TEST_1	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
TEST_1	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
TEST_1	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
TEST_1	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
TEST_1	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
TEST_1	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
TEST_1	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
TEST_1	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
TEST_1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
TEST_1	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
TEST_1	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
TEST_1	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
TEST_1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
TEST_1	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
TEST_1	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
TEST_1	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
TEST_1	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
TEST_1	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
TEST_1	C(=O)N	C75127
TEST_1	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
TEST_1	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
TEST_1	N#CC(Br)Br	C3252435
TEST_1	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
TEST_1	[O-][N+](C)(C)CCCCCCCCCC	C2605790
TEST_1	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
TEST_1	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
TEST_1	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
TEST_1	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
TEST_1	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
TEST_1	NCCOCCOCCN	C929599
TEST_1	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
TEST_1	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
TEST_1	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
TEST_1	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
TEST_1	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
TEST_1	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
TEST_1	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
TEST_1	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
TEST_1	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
TEST_1	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
TEST_1	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
TEST_1	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
TEST_1	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
TEST_1	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
TEST_1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
TEST_1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
TEST_1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
TEST_1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
TEST_1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
TEST_1	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
TEST_1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
TEST_1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
TEST_1	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
TEST_1	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
TEST_1	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
TEST_1	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
TEST_1	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
TEST_1	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
TEST_1	S=C(NCCCC)NCCCC	C109466
TEST_1	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
TEST_1	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
TEST_1	NCc1cccc(CN)c1	C1477550
TEST_1	N(CCN(C)C)(C)C	C110189
TEST_1	CCN(CC)CC	C121448
TEST_1	NCCN	C107153
TEST_1	CC(CN(CC(C)O)CC(C)O)O	C122203
TEST_1	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
TEST_1	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
TEST_1	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
TEST_1	O=[N+](c1cnc(s1)N)[O-]	C121664
TEST_1	Nc1nc(nc(n1)N)c1ccccc1	C91769
TEST_1	Clc1ccc(N)cc1.Cl	C20265967
TEST_1	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
TEST_1	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
TEST_1	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
TEST_1	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
TEST_1	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
TEST_1	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
TEST_1	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
TEST_1	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
TEST_1	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
TEST_1	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
TEST_1	NNc1ccccc1.Cl	C59881
TEST_1	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
TEST_1	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
TEST_1	S=C(N(C)C)SC(=S)N(C)C	C97745
TEST_1	S=P(N1CC1)(N1CC1)N1CC1	C52244
TEST_1	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
TEST_1	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
TEST_1	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
TEST_1	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
TEST_1	N#Cc1ccccc1	C100470
TEST_1	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
TEST_1	c1ccccc1NC(=O)c1c(O)cccc1	C87172
TEST_1	CN(C)c1ccc(C=O)cc1	C100107
TEST_1	Nc1ccc(Br)cc1	C106401
TEST_1	c1c(I)c(O)c(I)cc1C#N	C1689834
TEST_1	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
TEST_1	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
TEST_1	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
TEST_1	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
TEST_1	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
TEST_1	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
TEST_1	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
TEST_1	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
TEST_1	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
TEST_1	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
TEST_1	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
TEST_1	N(=C=NC1CCCCC1)C1CCCCC1	C538750
TEST_1	Nc1ccc2cc3ccccc3cc2c1	C613138
TEST_1	Nc1ccc(OC)cc1	C104949
TEST_1	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
TEST_1	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
TEST_1	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
TEST_1	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
TEST_1	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
TEST_1	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
TEST_1	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
TEST_1	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
TEST_1	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
TEST_1	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
TEST_1	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
TEST_1	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
TEST_1	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
TEST_1	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
TEST_1	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
TEST_1	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
TEST_1	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
TEST_1	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
TEST_1	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
TEST_1	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
TEST_1	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
TEST_1	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
TEST_1	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
TEST_1	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
TEST_1	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
TEST_1	Oc1ccc(cc1)Nc1ccccc1	C122372
TEST_1	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
TEST_1	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
TEST_1	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
TEST_1	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
TEST_1	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
TEST_1	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
TEST_1	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
TEST_1	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
TEST_1	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
TEST_1	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
TEST_1	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
TEST_1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
TEST_1	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
TEST_1	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
TEST_1	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
TEST_1	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
TEST_1	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
TEST_1	O=C1CC(C)(C)NC(C)(C)C1	C826368
TEST_1	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
TEST_1	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
TEST_1	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
TEST_1	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
TEST_1	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
TEST_1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
TEST_1	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
TEST_1	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
TEST_1	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
TEST_1	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
TEST_1	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
TEST_1	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
TEST_1	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
TEST_1	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
TEST_1	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
TEST_1	N#CSCCCCCCCCCCCC	C765151
TEST_1	OCCN(CCCCCCCCCCCC)CCO	C1541679
TEST_1	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
TEST_1	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
TEST_1	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
TEST_1	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
TEST_1	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
TEST_1	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
TEST_1	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
TEST_1	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
TEST_1	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
TEST_1	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
TEST_1	O=CN1CCCCC1	C2591868
TEST_1	CCCCCCCCCCCCN.Cl	C929737
TEST_1	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
TEST_1	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
TEST_1	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
TEST_1	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
TEST_1	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
TEST_1	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
TEST_1	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
TEST_1	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
TEST_1	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
TEST_1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
TEST_1	N#C[Au-]C#N.[K+]	C13967505
TEST_1	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
TEST_1	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
TEST_1	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
TEST_1	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
TEST_1	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
TEST_1	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
TEST_1	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
TEST_1	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
TEST_1	NCCCOCCCCCCCC	C15930662
TEST_1	Nc1cccc(C)n1	C1824813
TEST_1	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
TEST_1	CC1COc2ccccc2N1	C32329207
TEST_1	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
TEST_1	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
TEST_1	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
TEST_1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
TEST_1	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
TEST_1	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
TEST_1	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
TEST_1	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
TEST_1	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
TEST_1	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
TEST_1	S=C=NCCCSC	C505793
TEST_1	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
TEST_1	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
TEST_1	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
TEST_1	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
TEST_1	NNC(=O)OCc1ccccc1	C5331431
TEST_1	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
TEST_1	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
TEST_1	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
TEST_1	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
TEST_1	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP3_1	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP3_1	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP3_1	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP3_1	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP3_1	O=[N+](CC)[O-]	C79243
FP3_1	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP3_1	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP3_1	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP3_1	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP3_1	F[B-](F)(F)F.[Na+]	C13755298
FP3_1	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP3_1	Oc1c([N+](=O)[O-])cccc1	C88755
FP3_1	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP3_1	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP3_1	[NH4+].[O-]S(=O)(=O)N	C7773060
FP3_1	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP3_1	[Na+].[O-]C(=O)CF	C62748
FP3_1	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP3_1	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP3_1	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP3_1	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP3_1	[N+](=O)([O-])c1ccccc1N	C88744
FP3_1	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP3_1	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP3_1	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP3_1	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP3_1	[O-]c1ccccc1.[Na+]	C139026
FP3_1	O=C(N)[O-].[NH4+]	C1111780
FP3_1	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_1	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP3_1	O=C(CCl)[O-].[Na+]	C3926623
FP3_1	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP3_1	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP3_1	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP3_1	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP3_1	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP3_1	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP3_1	[S-]C(=S)NC.[Na+]	C137428
FP3_1	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP3_1	N#C[S-].[NH4+]	C1762954
FP3_1	[O-][N+](=O)[O-].[K+]	C7757791
FP3_1	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP3_1	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP3_1	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP3_1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_1	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP3_1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP3_1	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP3_1	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP3_1	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_1	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP3_1	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_1	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP3_1	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP3_1	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP3_1	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP3_1	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_1	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP3_1	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP3_1	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP3_1	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP3_1	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
FP3_1	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP3_1	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP3_1	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP3_1	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP3_1	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_1	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP3_1	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP3_1	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP3_1	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP3_1	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP3_1	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP3_1	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP3_1	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP3_1	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP3_1	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP3_1	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP3_1	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP3_1	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_1	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP3_1	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP3_1	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_1	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP3_1	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_1	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_1	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP3_1	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP3_1	O=S(=O)(OC)[O-].[Na+]	C512425
FP3_1	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP3_1	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP3_1	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP3_1	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP3_1	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP3_1	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP3_1	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP3_1	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP3_1	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_1	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP3_1	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP3_1	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP3_1	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP3_1	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP3_1	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP3_1	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP3_1	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_1	O=[Cl](=O)[O-].[K+]	C3811049
FP3_1	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP3_1	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP3_1	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP3_1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP3_1	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_1	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP3_1	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP3_1	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP3_1	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP3_1	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP3_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP3_1	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP3_1	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_1	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP3_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP3_1	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_1	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP3_1	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP3_1	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP3_1	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP3_1	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_1	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP3_1	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP3_1	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP3_1	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP3_1	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_1	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP3_1	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP3_1	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_1	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_1	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_1	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP3_1	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP3_1	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP3_1	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_1	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_1	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP3_1	[Na+].[N-]=[N+]=[N-]	C26628228
FP3_1	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_1	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP3_1	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP3_1	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP3_1	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP3_1	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP3_1	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP3_1	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP3_1	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_1	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP3_1	O=N[O-].[Na+]	C7632000
FP3_1	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP3_1	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP3_1	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP3_1	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP3_1	O=[N+](c1ccccc1)[O-]	C98953
FP3_1	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_1	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP3_1	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP3_1	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP3_1	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP3_1	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP3_1	Cc1cc([N+](=O)[O-])ccc1	C99081
FP3_1	Oc1ccc([N+](=O)[O-])cc1	C100027
FP3_1	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP3_1	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP3_1	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP3_1	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP3_1	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP3_1	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP3_1	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP3_1	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_1	[O-][N+](=O)C(CO)(CO)Br	C52517
FP3_1	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP3_1	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP3_1	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP3_1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP3_1	[N+](=O)([O-])c1ccccc1C	C88722
FP3_1	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_1	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP3_1	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP3_1	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP3_1	OCC(CO)([N+](=O)[O-])CO	C126114
FP3_1	[S-]C(=S)N(C)C.[Na+]	C128041
FP3_1	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP3_1	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP3_1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP3_1	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP3_1	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP3_1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP3_1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP3_1	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP3_1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP3_1	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP3_1	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP3_1	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP3_1	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP3_1	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP3_1	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_1	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_1	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_1	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP3_1	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP3_1	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_1	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_1	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_1	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_1	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP3_1	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP3_1	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_1	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP3_1	[Na+].[O-][Cl]=O	C7758192
FP3_1	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP3_1	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP3_1	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_1	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP3_1	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP3_1	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP3_1	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP3_1	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP3_1	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP3_1	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP3_1	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP3_1	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP3_1	O=[N+](c1cnc(s1)N)[O-]	C121664
FP3_1	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP3_1	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP3_1	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP3_1	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP3_1	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_1	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP3_1	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP3_1	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP3_1	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP3_1	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP3_1	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_1	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP3_1	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP3_1	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_1	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP3_1	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP3_1	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP3_1	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP3_1	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP3_1	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP3_1	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_1	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_1	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP3_1	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP3_1	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP3_1	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP3_1	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP3_1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP3_1	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP3_1	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP3_1	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP3_1	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP3_1	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP3_1	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP3_1	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_1	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP3_1	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP3_1	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
FP3_1	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP3_1	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_1	N#C[Au-]C#N.[K+]	C13967505
FP3_1	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP3_1	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP3_1	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_1	O=C([O-])c1cnccc1.[Na+]	C54864
FP3_1	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_1	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP3_1	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_2	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP3_2	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP3_2	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP3_2	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP3_2	O=[N+](CC)[O-]	C79243
FP3_2	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP3_2	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP3_2	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP3_2	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP3_2	F[B-](F)(F)F.[Na+]	C13755298
FP3_2	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP3_2	Oc1c([N+](=O)[O-])cccc1	C88755
FP3_2	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP3_2	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP3_2	[NH4+].[O-]S(=O)(=O)N	C7773060
FP3_2	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP3_2	[Na+].[O-]C(=O)CF	C62748
FP3_2	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP3_2	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP3_2	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP3_2	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP3_2	[N+](=O)([O-])c1ccccc1N	C88744
FP3_2	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP3_2	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP3_2	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP3_2	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP3_2	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP3_2	[O-]c1ccccc1.[Na+]	C139026
FP3_2	O=C(N)[O-].[NH4+]	C1111780
FP3_2	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_2	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP3_2	O=C(CCl)[O-].[Na+]	C3926623
FP3_2	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP3_2	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP3_2	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP3_2	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP3_2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP3_2	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP3_2	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP3_2	[S-]C(=S)NC.[Na+]	C137428
FP3_2	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP3_2	N#C[S-].[NH4+]	C1762954
FP3_2	[O-][N+](=O)[O-].[K+]	C7757791
FP3_2	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP3_2	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP3_2	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP3_2	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_2	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP3_2	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP3_2	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP3_2	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP3_2	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_2	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP3_2	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_2	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP3_2	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP3_2	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP3_2	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP3_2	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_2	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP3_2	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP3_2	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP3_2	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP3_2	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP3_2	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP3_2	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP3_2	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP3_2	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_2	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP3_2	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP3_2	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP3_2	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP3_2	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP3_2	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP3_2	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP3_2	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP3_2	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP3_2	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP3_2	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP3_2	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP3_2	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_2	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP3_2	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP3_2	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_2	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP3_2	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_2	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_2	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP3_2	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP3_2	O=S(=O)(OC)[O-].[Na+]	C512425
FP3_2	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP3_2	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP3_2	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_2	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP3_2	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP3_2	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP3_2	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP3_2	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP3_2	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP3_2	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_2	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP3_2	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP3_2	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP3_2	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP3_2	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP3_2	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP3_2	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP3_2	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP3_2	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP3_2	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP3_2	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_2	O=[Cl](=O)[O-].[K+]	C3811049
FP3_2	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP3_2	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP3_2	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP3_2	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP3_2	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_2	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP3_2	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP3_2	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP3_2	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP3_2	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP3_2	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP3_2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP3_2	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP3_2	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_2	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP3_2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP3_2	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_2	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP3_2	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP3_2	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP3_2	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP3_2	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_2	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP3_2	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP3_2	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP3_2	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP3_2	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_2	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP3_2	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP3_2	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_2	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_2	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP3_2	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_2	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP3_2	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP3_2	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP3_2	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_2	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_2	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP3_2	[Na+].[N-]=[N+]=[N-]	C26628228
FP3_2	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_2	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP3_2	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP3_2	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP3_2	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP3_2	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP3_2	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP3_2	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP3_2	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_2	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP3_2	[Hg+2].[Cl-].[Cl-]	C7487947
FP3_2	O=N[O-].[Na+]	C7632000
FP3_2	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP3_2	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP3_2	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP3_2	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP3_2	O=[N+](c1ccccc1)[O-]	C98953
FP3_2	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_2	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP3_2	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP3_2	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP3_2	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP3_2	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP3_2	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP3_2	Cc1cc([N+](=O)[O-])ccc1	C99081
FP3_2	Oc1ccc([N+](=O)[O-])cc1	C100027
FP3_2	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP3_2	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP3_2	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP3_2	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP3_2	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP3_2	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP3_2	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP3_2	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_2	[O-][N+](=O)C(CO)(CO)Br	C52517
FP3_2	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP3_2	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP3_2	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP3_2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP3_2	[N+](=O)([O-])c1ccccc1C	C88722
FP3_2	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_2	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP3_2	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP3_2	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP3_2	OCC(CO)([N+](=O)[O-])CO	C126114
FP3_2	[S-]C(=S)N(C)C.[Na+]	C128041
FP3_2	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP3_2	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP3_2	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP3_2	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP3_2	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP3_2	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP3_2	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP3_2	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP3_2	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP3_2	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP3_2	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP3_2	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP3_2	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP3_2	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP3_2	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_2	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_2	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_2	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP3_2	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP3_2	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_2	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_2	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_2	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_2	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP3_2	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP3_2	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_2	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP3_2	[Na+].[O-][Cl]=O	C7758192
FP3_2	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP3_2	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP3_2	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_2	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP3_2	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP3_2	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP3_2	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP3_2	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP3_2	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP3_2	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP3_2	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP3_2	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP3_2	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP3_2	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP3_2	O=[N+](c1cnc(s1)N)[O-]	C121664
FP3_2	[Cl-].[Cd+2].[Cl-]	C10108642
FP3_2	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP3_2	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP3_2	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP3_2	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP3_2	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_2	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP3_2	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP3_2	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP3_2	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP3_2	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP3_2	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_2	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP3_2	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP3_2	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_2	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP3_2	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_2	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP3_2	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP3_2	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP3_2	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP3_2	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP3_2	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_2	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_2	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_2	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP3_2	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP3_2	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP3_2	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP3_2	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP3_2	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP3_2	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP3_2	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP3_2	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP3_2	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP3_2	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP3_2	[Hg+2].[I-].[I-]	C7774290
FP3_2	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP3_2	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP3_2	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_2	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP3_2	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP3_2	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
FP3_2	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP3_2	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_2	N#C[Au-]C#N.[K+]	C13967505
FP3_2	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP3_2	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP3_2	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_2	O=C([O-])c1cnccc1.[Na+]	C54864
FP3_2	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_2	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP3_2	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_3	CC(=O)N	C60355
FP3_3	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP3_3	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP3_3	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_3	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_3	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_3	CC(=O)OCc1ccccc1	C140114
FP3_3	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP3_3	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_3	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_3	O=CCCl	C107200
FP3_3	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_3	O=C1CCCCC1	C108941
FP3_3	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP3_3	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP3_3	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP3_3	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP3_3	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP3_3	CN(C)C(=O)C	C127195
FP3_3	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP3_3	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP3_3	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP3_3	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_3	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_3	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
FP3_3	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP3_3	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP3_3	NC(=O)c1cccnc1	C98920
FP3_3	OC(=O)c1cccnc1	C59676
FP3_3	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP3_3	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_3	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP3_3	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP3_3	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP3_3	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP3_3	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP3_3	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_3	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_3	O=CCc1ccccc1	C122781
FP3_3	O=C(O)/C=C\C(=O)O	C110167
FP3_3	OC(=O)/C=C/C(=O)O	C110178
FP3_3	CCCCCCCCCC=O	C112312
FP3_3	CCCCCCCCCCCC(=O)O	C143077
FP3_3	O=CCCCCCC	C111717
FP3_3	OC(=O)CCCCCCCCCCCCCCC	C57103
FP3_3	CCCCCCCCC=O	C124196
FP3_3	O=C(O)CCCCCCCC(=O)O	C123999
FP3_3	OC(=O)CCCC	C109524
FP3_3	O=C(O)CCCCCCCCCCCCC	C544638
FP3_3	c1(O)ccccc1C(=O)N	C65452
FP3_3	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP3_3	O=Cc1ccccc1O	C90028
FP3_3	c1cc(N)ccc1C(=O)OCC	C94097
FP3_3	CCOC(=O)CC(=O)OCC	C105533
FP3_3	CCCC(=O)C	C107879
FP3_3	CCCCCC(=O)C	C110430
FP3_3	CCCCCCCCCC(=O)C	C112129
FP3_3	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_3	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_3	CCCCCC(=O)OCC	C123660
FP3_3	n1c(C(=O)O)cccc1C(=O)O	C499832
FP3_3	O=C(OC(C)(C)C)C	C540885
FP3_3	CCCCCCC1OC(=O)CC1	C706149
FP3_3	C=CC(=O)OCCO	C818611
FP3_3	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP3_3	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP3_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP3_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP3_3	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_3	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP3_3	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP3_3	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP3_3	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP3_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_3	C(=O)(/C=C/c1ccccc1)O	C140103
FP3_3	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_3	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_3	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_3	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_3	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP3_3	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_3	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_3	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP3_3	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP3_3	C(=O)(O)C(C)O	C50215
FP3_3	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_3	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_3	C(=O)(O)CCC(=O)O	C110156
FP3_3	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP3_3	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
FP3_3	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_3	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP3_3	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_3	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_3	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP3_3	[Na+].[O-]C(=O)CF	C62748
FP3_3	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP3_3	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_3	O=C(OCCCC)C=C	C141322
FP3_3	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP3_3	O=C/C=C/c1ccccc1	C14371109
FP3_3	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP3_3	C(C(=O)C)C(C)(C)O	C123422
FP3_3	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP3_3	O=C(CC(C)C)CC(C)C	C108838
FP3_3	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP3_3	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP3_3	O=C(OCC)c1c(N)cccc1	C87252
FP3_3	C(CC)(C=O)CCCC	C123057
FP3_3	CCC(=CCCC)C=O	C645625
FP3_3	O=C(OCC(CCCC)CC)C=C	C103117
FP3_3	O=CCCCC=O	C111308
FP3_3	C(=O)(O)CO	C79141
FP3_3	O=C(OCCCCCC)c1ccccc1	C6789884
FP3_3	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP3_3	O(C(C)C)C(=O)C	C108214
FP3_3	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP3_3	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP3_3	O=C(C)C=Cc1ccccc1	C122576
FP3_3	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP3_3	C(=O)(O)C(=O)O	C144627
FP3_3	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP3_3	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP3_3	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP3_3	O=C(O)CS	C68111
FP3_3	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_3	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_3	O(C)c1cc(C=O)ccc1OC	C120149
FP3_3	O=C(O)c1ccccc1O	C69727
FP3_3	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
FP3_3	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP3_3	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP3_3	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP3_3	O=C1c2c(cccc2)C(=O)N1	C85416
FP3_3	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP3_3	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
FP3_3	O=C(O)c1ccc(O)cc1	C99967
FP3_3	O=C(C)OCC(CC)CCCC	C103093
FP3_3	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
FP3_3	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
FP3_3	O=C(OC)CCCCCCCCC	C110429
FP3_3	O=C(O)CCCCCCCCC(=O)O	C111206
FP3_3	O=C(C)OCCOC(=O)C	C111557
FP3_3	O=C(C)OCCOCCCC	C112072
FP3_3	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
FP3_3	O=Cc1ccc(OC)cc1	C123115
FP3_3	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP3_3	O=C1c2c(cccc2)C(=O)N1C	C550447
FP3_3	O=C1NCCC1	C616455
FP3_3	O=C(N(C)C)CCCCCCC	C1118929
FP3_3	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP3_3	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP3_3	O=C(N(C)C)CC(=O)C	C2044646
FP3_3	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP3_3	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_3	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP3_3	O=C(CCl)[O-].[Na+]	C3926623
FP3_3	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_3	O=C(CS)OCC(CC)CCCC	C7659861
FP3_3	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP3_3	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
FP3_3	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP3_3	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP3_3	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP3_3	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP3_3	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP3_3	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP3_3	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP3_3	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
FP3_3	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP3_3	O=C(c1ccc(O)cc1)C	C99934
FP3_3	O=C(OCc1ccccc1)c1ccccc1	C120514
FP3_3	O=C1CCCC1	C120923
FP3_3	CCCCCC(=Cc1ccccc1)C=O	C122407
FP3_3	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP3_3	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP3_3	O=C(C=C(C)C)C	C141797
FP3_3	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP3_3	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_3	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP3_3	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP3_3	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP3_3	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP3_3	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP3_3	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP3_3	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP3_3	O=C(C)OCCC(C)C(CC)CC	C108419336
FP3_3	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP3_3	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP3_3	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP3_3	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP3_3	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP3_3	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP3_3	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_3	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP3_3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP3_3	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP3_3	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP3_3	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP3_3	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP3_3	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_3	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_3	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP3_3	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP3_3	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_3	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP3_3	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP3_3	O=C1OC(CCCCC)CC1	C104610
FP3_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_3	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_3	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP3_3	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP3_3	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP3_3	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_3	O=C(CBr)c1ccc(O)cc1	C2491385
FP3_3	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP3_3	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_3	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_3	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_3	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP3_3	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP3_3	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP3_3	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP3_3	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP3_3	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP3_3	O=C1N(CCCCCCCC)CCC1	C2687947
FP3_3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_3	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP3_3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP3_3	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP3_3	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP3_3	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_3	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP3_3	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP3_3	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP3_3	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_3	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_3	O=C(CC)OCC	C105373
FP3_3	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP3_3	O=C(c1ccccc1O)C	C118934
FP3_3	O=C(CBr)OCc1ccccc1	C5437456
FP3_3	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_3	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP3_3	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_3	O=C(OCC)c1c(C)cccc1	C87241
FP3_3	O=C1CCC(C2CCCCC2)CC1	C92682
FP3_3	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP3_3	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_3	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP3_3	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP3_3	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP3_3	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP3_3	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP3_3	O=C1C=CC(=O)N1c1ccccc1	C941695
FP3_3	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_3	O=C1CCC(O1)CC	C695067
FP3_3	O=C1OC(CCCCCC)(C)CC1	C7011838
FP3_3	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP3_3	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP3_3	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP3_3	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP3_3	O=C1NC(=O)C(N1)(CC)C	C5394365
FP3_3	O=C(C)c1cc2ccccc2cc1	C93083
FP3_3	O=C(Nc1ccccc1)CCl	C587655
FP3_3	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP3_3	O=C/C=C/CCC	C6728263
FP3_3	O=C(CC(C)C)OCC(C)CC	C2445774
FP3_3	O=C(C)OCC/C=C\CC	C3681718
FP3_3	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP3_3	O=CCC/C=C\CCCCC	C21662099
FP3_3	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP3_3	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP3_3	O=C(CCC)OCCCCC	C540181
FP3_3	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP3_3	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_3	O=C(C)OC(C)c1ccccc1	C93925
FP3_3	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP3_3	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP3_3	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_3	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP3_3	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP3_3	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_3	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP3_3	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP3_3	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_3	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP3_3	O=C1C(C(CC)C)CCCC1	C14765301
FP3_3	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP3_3	O=C(CC)CCCCC	C106683
FP3_3	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP3_3	O=C(CF)O	C144490
FP3_3	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_3	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_3	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
FP3_3	O=C(CCC)OCCCCCCC	C5870939
FP3_3	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP3_3	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
FP3_3	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_3	OC(C)C(=O)OCCCC	C138227
FP3_3	OC(C)(C)CCCC(C)CC=O	C107755
FP3_3	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP3_3	O[C@@H](C)C(=O)OCCCC	C34451199
FP3_3	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_3	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP3_3	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
FP3_3	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_3	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_3	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP3_3	O=C(C)OCCCCCCCC	C112141
FP3_3	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_3	O=C1CCC(C(C)(C)C)CC1	C98533
FP3_3	O=C(c1ccccc1)Cc1ccccc1	C451401
FP3_3	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP3_3	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP3_3	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP3_3	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_3	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP3_3	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP3_3	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
FP3_3	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP3_3	O=C(CCCCCCCCC=C)OCC	C692864
FP3_3	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP3_3	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP3_3	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP3_3	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP3_3	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_3	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP3_3	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP3_3	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP3_3	O=C(c1ccccc1)OCCC(C)C	C94462
FP3_3	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP3_3	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_3	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP3_3	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP3_3	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP3_3	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
FP3_3	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP3_3	O=C1OC(CCC)CC1	C105215
FP3_3	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP3_3	O=C(c1ccccc1)c1ccccc1O	C117997
FP3_3	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_3	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_3	O=C(C1CCCCC1)c1ccccc1	C712505
FP3_3	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_3	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP3_3	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_3	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_3	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP3_3	O=C(CCCCCC)c1ccccc1	C1671756
FP3_3	O=C1CCC(CCC)CC1	C40649363
FP3_3	O=C(O)c1c(C)cc(C)cc1C	C480637
FP3_3	O=C(c1ccccc1)C1CCC1	C5407987
FP3_3	O=C(c1ccccc1)C(C)C	C611701
FP3_3	O=C(c1ccc(Cl)cc1)CC	C6285058
FP3_3	O=C(OC)c1c(C)cccc1	C89714
FP3_3	O=C(c1ccccc1)C(C)(C)C	C938169
FP3_3	O=C(Oc1ccccc1)c1ccccc1	C93992
FP3_3	O=C(OCC)c1ccc(C)cc1	C94086
FP3_3	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_3	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP3_3	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP3_3	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP3_3	O=C(CCC(=O)O)NN(C)C	C1596845
FP3_3	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP3_3	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_3	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_3	S=P(SCC(=O)NC)(OC)OC	C60515
FP3_3	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP3_3	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP3_3	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP3_3	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP3_3	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP3_3	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP3_3	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP3_3	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP3_3	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP3_3	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP3_3	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP3_3	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP3_3	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP3_3	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP3_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_3	O=C(C)NP(=O)(OC)SC	C30560191
FP3_3	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP3_3	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_3	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_3	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP3_3	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP3_3	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP3_3	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP3_3	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP3_3	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP3_3	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_3	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_3	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP3_3	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP3_3	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP3_3	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP3_3	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_3	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP3_3	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_3	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP3_3	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP3_3	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP3_3	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_3	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP3_3	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
FP3_3	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_3	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP3_3	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP3_3	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP3_3	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP3_3	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_3	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_3	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP3_3	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP3_3	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_3	O=C(SC)c1cccc2c1snn2	C135158542
FP3_3	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP3_3	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP3_3	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP3_3	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP3_3	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP3_3	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP3_3	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP3_3	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP3_3	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP3_3	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP3_3	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP3_3	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP3_3	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP3_3	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP3_3	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP3_3	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_3	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP3_3	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP3_3	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP3_3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP3_3	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_3	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP3_3	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP3_3	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP3_3	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_3	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_3	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP3_3	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP3_3	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP3_3	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP3_3	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP3_3	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP3_3	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_3	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP3_3	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_3	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP3_3	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP3_3	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_3	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP3_3	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_3	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_3	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP3_3	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_3	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP3_3	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_3	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP3_3	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP3_3	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_3	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_3	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP3_3	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP3_3	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP3_3	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP3_3	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP3_3	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP3_3	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP3_3	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_3	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_3	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_3	c1(ccc(cc1)O)NC(=O)C	C103902
FP3_3	NC(=O)C=C	C79061
FP3_3	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP3_3	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_3	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_3	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP3_3	OC(=O)c1ccccc1	C65850
FP3_3	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP3_3	O=C1CCCO1	C96480
FP3_3	O=C1CCCCCN1	C105602
FP3_3	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP3_3	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP3_3	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP3_3	O=C(c1ccccc1)CCl	C532274
FP3_3	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_3	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP3_3	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP3_3	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP3_3	OC(=O)C(Cl)Cl	C79436
FP3_3	CC1CC(OC(O1)C)OC(=O)C	C828002
FP3_3	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP3_3	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP3_3	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP3_3	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_3	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP3_3	O=Cc1ccco1	C98011
FP3_3	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
FP3_3	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_3	O=C(c1ccncc1)NN	C54853
FP3_3	CC1(CC(=CC(=O)C1)C)C	C78591
FP3_3	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_3	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP3_3	O=C1N(CCC1)C	C872504
FP3_3	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_3	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP3_3	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
FP3_3	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_3	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP3_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_3	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP3_3	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_3	CC(=O)O[Hg]c1ccccc1	C62384
FP3_3	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_3	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_3	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP3_3	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP3_3	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_3	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP3_3	OC(=O)C=CC=CC	C110441
FP3_3	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_3	ClC(C(=O)O)(Cl)Cl	C76039
FP3_3	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP3_3	O=C1N(C=C)CCC1	C88120
FP3_3	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP3_3	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP3_3	OC(=O)CCC	C107926
FP3_3	CCCCCCCCCC(=O)O	C334485
FP3_3	CC(Cl)(Cl)C(=O)O	C75990
FP3_3	O=C(O)CCCCCC	C111148
FP3_3	OC(=O)CCCCC(=O)O	C124049
FP3_3	CCCCCC(=O)O	C142621
FP3_3	CCCCCCCCC(=O)O	C112050
FP3_3	CCCCCCCCCCCCCCCCCC(=O)O	C57114
FP3_3	CCCCCCCC=O	C124130
FP3_3	CCCCCCCC(=O)O	C124072
FP3_3	CCCCC=O	C110623
FP3_3	CC1(C)NC(=O)NC1=O	C77714
FP3_3	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP3_3	c1ccccc1C(=O)C	C98862
FP3_3	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
FP3_3	CC(=O)OCCOCC	C111159
FP3_3	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP3_3	c1ccccc1C(=O)c1ccccc1	C119619
FP3_3	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_3	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP3_3	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP3_3	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP3_3	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP3_3	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_3	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_3	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP3_3	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_3	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP3_3	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_3	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_3	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
FP3_3	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_3	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_3	C(=O)(O)C(CCC)CCC	C99661
FP3_3	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP3_3	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP3_3	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP3_3	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_3	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP3_3	O=C(O)c1ccc(N)cc1	C150130
FP3_3	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP3_3	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP3_3	O=CC=C(C)CCC=C(C)C	C5392405
FP3_3	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP3_3	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP3_3	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP3_3	C(CCCC(=O)OC)C(=O)OC	C627930
FP3_3	COC(=O)CCCC(=O)OC	C1119400
FP3_3	C(=O)(OC)CCC(=O)OC	C106650
FP3_3	O=C(O)C(CCCC)CC	C149575
FP3_3	C(CC(C)C)OC(=O)C	C123922
FP3_3	O=C(OC)c1c(N)cccc1	C134203
FP3_3	O=C(NCNC(=O)C=C)C=C	C110269
FP3_3	O=C(OC)c1c(O)cccc1	C119368
FP3_3	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_3	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_3	O=C(OCCOCCOCCOC(=O)C)C	C111217
FP3_3	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP3_3	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP3_3	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP3_3	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
FP3_3	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP3_3	O=C(OC)CCCCCCC	C111115
FP3_3	O=C(OC)CCCCCCCCCCC	C111820
FP3_3	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP3_3	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP3_3	O=C(C)OCCCCC	C628637
FP3_3	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_3	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_3	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP3_3	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP3_3	O=C(O)C(O)CC(=O)O	C6915157
FP3_3	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP3_3	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP3_3	O=C(OCCCCCC(C)C)C=C	C29590429
FP3_3	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP3_3	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP3_3	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP3_3	O=C(OC)CC(=O)OC	C108598
FP3_3	O=C(N)C(=C)C	C79390
FP3_3	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_3	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP3_3	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP3_3	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
FP3_3	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
FP3_3	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
FP3_3	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP3_3	N#CC(Br)(C(=O)N)Br	C10222012
FP3_3	O=Cc1ccccc1C=O	C643798
FP3_3	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP3_3	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_3	O=C1CCC(O1)CCCCCCC	C104676
FP3_3	O=C(O)CCCCCCCCC=C	C112389
FP3_3	O=C1NC(=O)C(N1CO)(C)C	C116256
FP3_3	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
FP3_3	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP3_3	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP3_3	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP3_3	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP3_3	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
FP3_3	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP3_3	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP3_3	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_3	O=C(OCC)CCC(=O)OCC	C123251
FP3_3	O=C(CCC)OCC	C105544
FP3_3	O=C(OCC)CCCCCC	C106309
FP3_3	O=C(OCCCC)c1ccccc1	C136607
FP3_3	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_3	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_3	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_3	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP3_3	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP3_3	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP3_3	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
FP3_3	O=C(CCC)OCCC(C)C	C106274
FP3_3	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
FP3_3	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP3_3	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_3	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP3_3	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP3_3	O=C(C)NC	C79163
FP3_3	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP3_3	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP3_3	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_3	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP3_3	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP3_3	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP3_3	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP3_3	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP3_3	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_3	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_3	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP3_3	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_3	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP3_3	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP3_3	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_3	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP3_3	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP3_3	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_3	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP3_3	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_3	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_3	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP3_3	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP3_3	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP3_3	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_3	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP3_3	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP3_3	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP3_3	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_3	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP3_3	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_3	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_3	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_3	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_3	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP3_3	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_3	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP3_3	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP3_3	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP3_3	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_3	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_3	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_3	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP3_3	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP3_3	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP3_3	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_3	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_3	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP3_3	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_3	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_3	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP3_3	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP3_3	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP3_3	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP3_3	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP3_3	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP3_3	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP3_3	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP3_3	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP3_3	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP3_3	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_3	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_3	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP3_3	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP3_3	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP3_3	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP3_3	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP3_3	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_3	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP3_3	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP3_3	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP3_3	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP3_3	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP3_3	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP3_3	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP3_3	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP3_3	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP3_3	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_3	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_3	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_3	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP3_3	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
FP3_3	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP3_3	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP3_3	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_3	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP3_3	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP3_3	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP3_3	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
FP3_3	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
FP3_3	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP3_3	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP3_3	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP3_3	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
FP3_3	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP3_3	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP3_3	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP3_3	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP3_3	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP3_3	C(=O)(C)O	C64197
FP3_3	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP3_3	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_3	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_3	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_3	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP3_3	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
FP3_3	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP3_3	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP3_3	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP3_3	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP3_3	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP3_3	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP3_3	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP3_3	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP3_3	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_3	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP3_3	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_3	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_3	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP3_3	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP3_3	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_3	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP3_3	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP3_3	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP3_3	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP3_3	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP3_3	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP3_3	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP3_3	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP3_3	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP3_3	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP3_3	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP3_3	O=CCC(C)CCC=C(C)C	C106230
FP3_3	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_3	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_3	O=C(OCC)c1ccccc1	C93890
FP3_3	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP3_3	O=CCCSC	C3268493
FP3_3	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_3	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_3	CC(=O)OCC	C141786
FP3_3	CC(=O)OCCCC	C123864
FP3_3	CC(=O)CCC(C)C	C110123
FP3_3	CC(=O)CC(C)C	C108101
FP3_3	CC(C)C=O	C78842
FP3_3	CCCCCC=O	C66251
FP3_3	CCCC=O	C123728
FP3_3	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_3	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP3_3	CC1CC(=O)O1	C3068880
FP3_3	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP3_3	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP3_3	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP3_3	O=C(/C=C\C(=O)OCC)OCC	C141059
FP3_3	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_3	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP3_3	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_3	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_3	O=C(CCl)CCl	C534076
FP3_3	CC(=O)C(=O)O	C127173
FP3_3	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP3_3	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP3_3	CN(C)c1ccc(C=O)cc1	C100107
FP3_3	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP3_3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_3	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_3	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_3	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP3_3	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP3_3	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP3_3	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_3	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_3	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP3_3	C(=O)(O)c1ccc(Cl)cc1	C74113
FP3_3	O=CC=CC=CCCCCC	C25152845
FP3_3	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP3_3	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
FP3_3	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP3_3	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_3	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP3_3	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP3_3	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP3_3	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP3_3	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP3_3	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_3	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP3_3	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP3_3	ClC(=O)C(CC)CCCC	C760678
FP3_3	O=C(O)C(=O)C(C)(C)C	C815178
FP3_3	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP3_3	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP3_3	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
FP3_3	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP3_3	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP3_3	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP3_3	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_3	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP3_3	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP3_3	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP3_3	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP3_3	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP3_3	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP3_3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP3_3	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP3_3	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP3_3	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP3_3	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP3_3	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_3	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP3_3	O=CCCCCCCCCC=C	C112458
FP3_3	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_3	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_3	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_3	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_3	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP3_3	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP3_3	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP3_3	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_3	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_3	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP3_3	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP3_3	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP3_3	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP3_3	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP3_3	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP3_3	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP3_3	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP3_3	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP3_3	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP3_3	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_3	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP3_3	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP3_3	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP3_3	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_3	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP3_3	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP3_3	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
FP3_3	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP3_3	O=C(O)CCSCCC(=O)O	C111171
FP3_3	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP3_3	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP3_3	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
FP3_3	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_3	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_3	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP3_3	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP3_3	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_3	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP3_3	O=C(OC)CCCC(=O)O	C1501275
FP3_3	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_3	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_3	O=C(OCCOC(=O)C=C)C=C	C2274115
FP3_3	O=C(OCCCCO)C=C	C2478106
FP3_3	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_3	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP3_3	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
FP3_3	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP3_3	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP3_3	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_3	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_3	O=C(O)CCCCCCCCCC(=O)O	C1852046
FP3_3	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP3_3	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_3	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
FP3_3	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP3_3	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_3	O=C([O-])c1cnccc1.[Na+]	C54864
FP3_3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_3	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP3_3	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP3_3	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP3_3	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_3	O=C/C=C/CCCCCCC	C3913813
FP3_3	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP3_3	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP3_3	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP3_3	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP3_3	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP3_3	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP3_3	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP3_3	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP3_3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_3	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP3_3	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_3	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_3	O=C(O)CSCCCCCCCCCCC	C116296312
FP3_3	CCCCCCCCCC(C)C=O	C110418
FP3_3	CCC(=O)C(=O)CC	C4437518
FP3_3	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP3_4	O=CCCl	C107200
FP3_4	O=CCc1ccccc1	C122781
FP3_4	CCCCCCCCCC=O	C112312
FP3_4	O=CCCCCCC	C111717
FP3_4	CCCCCCCCC=O	C124196
FP3_4	O=Cc1ccccc1O	C90028
FP3_4	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_4	O=C/C=C/c1ccccc1	C14371109
FP3_4	C(CC)(C=O)CCCC	C123057
FP3_4	CCC(=CCCC)C=O	C645625
FP3_4	O=CCCCC=O	C111308
FP3_4	O(C)c1cc(C=O)ccc1OC	C120149
FP3_4	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP3_4	O=Cc1ccc(OC)cc1	C123115
FP3_4	CCCCCC(=Cc1ccccc1)C=O	C122407
FP3_4	O=C/C=C/CCC	C6728263
FP3_4	O=CCC/C=C\CCCCC	C21662099
FP3_4	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP3_4	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP3_4	OC(C)(C)CCCC(C)CC=O	C107755
FP3_4	O=Cc1ccco1	C98011
FP3_4	CCCCCCCC=O	C124130
FP3_4	CCCCC=O	C110623
FP3_4	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_4	O=CC=C(C)CCC=C(C)C	C5392405
FP3_4	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP3_4	O=Cc1ccccc1C=O	C643798
FP3_4	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_4	O=CCC(C)CCC=C(C)C	C106230
FP3_4	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP3_4	O=CCCSC	C3268493
FP3_4	CC(C)C=O	C78842
FP3_4	CCCCCC=O	C66251
FP3_4	CCCC=O	C123728
FP3_4	CN(C)c1ccc(C=O)cc1	C100107
FP3_4	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP3_4	O=CC=CC=CCCCCC	C25152845
FP3_4	O=CCCCCCCCCC=C	C112458
FP3_4	O=C/C=C/CCCCCCC	C3913813
FP3_4	CCCCCCCCCC(C)C=O	C110418
FP3_5	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP3_5	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_5	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP3_5	O=C1CCCCC1	C108941
FP3_5	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP3_5	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP3_5	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP3_5	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
FP3_5	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_5	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_5	CCCC(=O)C	C107879
FP3_5	CCCCCC(=O)C	C110430
FP3_5	CCCCCCCCCC(=O)C	C112129
FP3_5	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP3_5	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP3_5	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP3_5	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_5	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP3_5	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_5	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_5	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_5	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP3_5	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP3_5	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP3_5	C(C(=O)C)C(C)(C)O	C123422
FP3_5	O=C(CC(C)C)CC(C)C	C108838
FP3_5	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP3_5	O=C(C)C=Cc1ccccc1	C122576
FP3_5	O=C(N(C)C)CC(=O)C	C2044646
FP3_5	O=C(c1ccc(O)cc1)C	C99934
FP3_5	O=C1CCCC1	C120923
FP3_5	O=C(C=C(C)C)C	C141797
FP3_5	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP3_5	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP3_5	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP3_5	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP3_5	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_5	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_5	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_5	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP3_5	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP3_5	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_5	O=C(CBr)c1ccc(O)cc1	C2491385
FP3_5	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_5	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP3_5	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP3_5	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_5	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP3_5	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP3_5	O=C(c1ccccc1O)C	C118934
FP3_5	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_5	O=C1CCC(C2CCCCC2)CC1	C92682
FP3_5	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_5	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP3_5	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP3_5	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP3_5	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP3_5	O=C(C)c1cc2ccccc2cc1	C93083
FP3_5	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP3_5	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP3_5	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP3_5	O=C1C(C(CC)C)CCCC1	C14765301
FP3_5	O=C(CC)CCCCC	C106683
FP3_5	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_5	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP3_5	O=C1CCC(C(C)(C)C)CC1	C98533
FP3_5	O=C(c1ccccc1)Cc1ccccc1	C451401
FP3_5	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP3_5	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP3_5	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_5	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP3_5	O=C(c1ccccc1)c1ccccc1O	C117997
FP3_5	O=C(C1CCCCC1)c1ccccc1	C712505
FP3_5	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP3_5	O=C(CCCCCC)c1ccccc1	C1671756
FP3_5	O=C1CCC(CCC)CC1	C40649363
FP3_5	O=C(c1ccccc1)C1CCC1	C5407987
FP3_5	O=C(c1ccccc1)C(C)C	C611701
FP3_5	O=C(c1ccc(Cl)cc1)CC	C6285058
FP3_5	O=C(c1ccccc1)C(C)(C)C	C938169
FP3_5	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP3_5	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_5	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP3_5	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP3_5	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_5	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP3_5	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP3_5	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_5	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP3_5	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP3_5	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP3_5	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP3_5	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP3_5	O=C(c1ccccc1)CCl	C532274
FP3_5	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP3_5	CC1(CC(=CC(=O)C1)C)C	C78591
FP3_5	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP3_5	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_5	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_5	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_5	c1ccccc1C(=O)C	C98862
FP3_5	c1ccccc1C(=O)c1ccccc1	C119619
FP3_5	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_5	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_5	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_5	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP3_5	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP3_5	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_5	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP3_5	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_5	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_5	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_5	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP3_5	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_5	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP3_5	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP3_5	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_5	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_5	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP3_5	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP3_5	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_5	CC(=O)CCC(C)C	C110123
FP3_5	CC(=O)CC(C)C	C108101
FP3_5	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP3_5	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP3_5	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_5	O=C(CCl)CCl	C534076
FP3_5	CC(=O)C(=O)O	C127173
FP3_5	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP3_5	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_5	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_5	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP3_5	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP3_5	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_5	O=C(O)C(=O)C(C)(C)C	C815178
FP3_5	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP3_5	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP3_5	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP3_5	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP3_5	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP3_5	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP3_5	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_5	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_5	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP3_5	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_5	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP3_5	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP3_5	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP3_5	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_5	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_5	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP3_5	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP3_5	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_5	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_5	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP3_5	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP3_5	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_5	CCC(=O)C(=O)CC	C4437518
FP3_27	C=CCO	C107186
FP3_27	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_27	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_27	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_27	CC(CNCC(C)O)O	C110974
FP3_27	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP3_27	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_27	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_27	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP3_27	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP3_27	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP3_27	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_27	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP3_27	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP3_27	CN(CCO)C	C108010
FP3_27	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP3_27	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_27	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_27	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_27	OC(CO)CCl	C96242
FP3_27	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP3_27	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP3_27	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP3_27	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_27	COc1ccc(cc1)O	C150765
FP3_27	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP3_27	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP3_27	OC(=O)c1cccnc1	C59676
FP3_27	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP3_27	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP3_27	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_27	Oc1ccc(cc1)c1ccccc1	C92693
FP3_27	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP3_27	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP3_27	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_27	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_27	O=C(O)/C=C\C(=O)O	C110167
FP3_27	OC(=O)/C=C/C(=O)O	C110178
FP3_27	OCCOCCOCCOCCCC	C143226
FP3_27	CCCCCCCCCCCC(=O)O	C143077
FP3_27	OC(=O)CCCCCCCCCCCCCCC	C57103
FP3_27	O=C(O)CCCCCCCC(=O)O	C123999
FP3_27	OC(=O)CCCC	C109524
FP3_27	O=C(O)CCCCCCCCCCCCC	C544638
FP3_27	c1(O)ccccc1C(=O)N	C65452
FP3_27	OCCC	C71238
FP3_27	OC(C)CN	C78966
FP3_27	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP3_27	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP3_27	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP3_27	Oc1c([N+](=O)[O-])cccc1	C88755
FP3_27	O=Cc1ccccc1O	C90028
FP3_27	Oc1cccc2ccccc12	C90153
FP3_27	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP3_27	OCCN1CCNCC1	C103764
FP3_27	Oc1ccc(Cl)cc1	C106489
FP3_27	CC(O)CC(C)(C)O	C107415
FP3_27	C1CCCCC1O	C108930
FP3_27	C(O)C#CCO	C110656
FP3_27	CCNCCO	C110736
FP3_27	CCCCCCO	C111273
FP3_27	CCCCCCCO	C111706
FP3_27	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_27	Oc1c(Br)cc(Br)cc1Br	C118796
FP3_27	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_27	Oc1ccc(CC)cc1	C123079
FP3_27	CCCCCCCCCO	C143088
FP3_27	n1c(C(=O)O)cccc1C(=O)O	C499832
FP3_27	Oc1ccc(CCC)cc1	C645567
FP3_27	C=CC(=O)OCCO	C818611
FP3_27	CC/C=C\CCO	C928961
FP3_27	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP3_27	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP3_27	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP3_27	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP3_27	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP3_27	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP3_27	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP3_27	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP3_27	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_27	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP3_27	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP3_27	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP3_27	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP3_27	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP3_27	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_27	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP3_27	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP3_27	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP3_27	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP3_27	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP3_27	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP3_27	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP3_27	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP3_27	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP3_27	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_27	c1(c(CC)cccc1)O	C90006
FP3_27	c1c(O)cccc1CC	C620177
FP3_27	C(=O)(/C=C/c1ccccc1)O	C140103
FP3_27	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP3_27	c1(c(ccc(c1)Cl)O)C	C1570645
FP3_27	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_27	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_27	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_27	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_27	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP3_27	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_27	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_27	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP3_27	c1cccc(OC)c1O	C90051
FP3_27	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP3_27	C(=O)(O)C(C)O	C50215
FP3_27	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_27	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_27	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_27	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_27	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP3_27	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
FP3_27	C(=O)(O)CCC(=O)O	C110156
FP3_27	NC(CO)(CO)CO	C77861
FP3_27	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP3_27	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_27	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_27	Cc1cc(O)ccc1	C108394
FP3_27	CC(O)COC	C107982
FP3_27	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_27	OCCCCO	C110634
FP3_27	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP3_27	C(C(=O)C)C(C)(C)O	C123422
FP3_27	Oc1cc(Cl)ccc1Cl	C583788
FP3_27	N(C)(C)c1cccc(O)c1	C99070
FP3_27	OCNC(=O)NCO	C140954
FP3_27	Cc1c(C)cccc1O	C526750
FP3_27	Cc1cc(C)cc(O)c1	C108689
FP3_27	OCC(C(O)CCC)CC	C94962
FP3_27	c1c(CO)occ1	C98000
FP3_27	C(=O)(O)CO	C79141
FP3_27	C(C)(C)(O)C#N	C75865
FP3_27	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP3_27	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP3_27	OC(C=C)(CCC=C(C)C)C	C78706
FP3_27	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP3_27	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP3_27	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP3_27	C(=O)(O)C(=O)O	C144627
FP3_27	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP3_27	O=C(O)CS	C68111
FP3_27	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_27	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_27	OCCc1ccccc1	C60128
FP3_27	O=C(O)c1ccccc1O	C69727
FP3_27	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP3_27	OC1CCC(C(C)(C)C)CC1	C98522
FP3_27	O=C(O)c1ccc(O)cc1	C99967
FP3_27	O=C(O)CCCCCCCCC(=O)O	C111206
FP3_27	OCCOCCOCCOC	C112356
FP3_27	OCCOCCOCCOCCO	C112607
FP3_27	OCC(CO)(CO)CO	C115775
FP3_27	OC(CCCCCC)C	C123966
FP3_27	OCC(N)(C)C	C124685
FP3_27	OCC(C)(C)CO	C126307
FP3_27	Oc1ccc2ccccc2c1	C135193
FP3_27	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP3_27	OC(C)COc1ccccc1	C770354
FP3_27	O=S(=O)(c1ccccc1O)O	C1333397
FP3_27	OCCOCCOCCOCCOCCCC	C1559348
FP3_27	Oc1cccc2c1OC(C)(C)C2	C1563388
FP3_27	OC1CCCCCCCCCCC1	C1724396
FP3_27	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP3_27	OCCOCCC	C2807309
FP3_27	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_27	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP3_27	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_27	OC(OCC(OC(O)CC)C)CC	C24800440
FP3_27	CC(CO)O	C25322694
FP3_27	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP3_27	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP3_27	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP3_27	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP3_27	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP3_27	OC(CCCC(C)C)(C)CC	C78693
FP3_27	OCC1OCCC1	C97994
FP3_27	O=C(c1ccc(O)cc1)C	C99934
FP3_27	OC(CC(C)CC(C)C)CC(C)C	C123171
FP3_27	OC(C)COCCC	C1569013
FP3_27	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP3_27	OCC(CCC)CCCCC	C10042598
FP3_27	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_27	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP3_27	OC1CC(CCC1C(C)C)C	C1490046
FP3_27	OCCC(C)CC(C)(C)C	C3452979
FP3_27	OC(OCCCC)CC	C29387868
FP3_27	Oc1cc(C)c(Cl)c(C)c1	C88040
FP3_27	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP3_27	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
FP3_27	OCn1nc(C)cc1C	C85264331
FP3_27	OCCSCCCCCCCC	C3547339
FP3_27	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_27	OC1CCCC1	C96413
FP3_27	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_27	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_27	CCCCCCCCCc1ccc(O)cc1	C104405
FP3_27	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_27	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP3_27	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_27	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_27	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_27	O=C(CBr)c1ccc(O)cc1	C2491385
FP3_27	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_27	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_27	OC(CCCCC)C=C	C3391864
FP3_27	OCCCCCCC/C=C/C=C/C	C33956499
FP3_27	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP3_27	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP3_27	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_27	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_27	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP3_27	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP3_27	Oc1ccc(CCCCCCC)cc1	C1987504
FP3_27	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP3_27	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP3_27	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_27	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP3_27	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP3_27	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP3_27	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP3_27	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_27	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_27	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP3_27	O=C(c1ccccc1O)C	C118934
FP3_27	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_27	OC1CCC(C(CC)(C)C)CC1	C5349519
FP3_27	OC1CCC(C2CCCCC2)CC1	C2433149
FP3_27	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_27	OC(C)(C)C1CC=C(C)CC1	C8000417
FP3_27	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP3_27	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP3_27	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP3_27	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_27	OCC(CCCCCC)CCCCCCCC	C2425776
FP3_27	CC(O)COCC	C1569024
FP3_27	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP3_27	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_27	Oc1ccccc1CN(C)C	C120650
FP3_27	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP3_27	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP3_27	OC(CCCC(C)C)(C)C	C13254347
FP3_27	OC(CC(C)C)(C)C#C	C107540
FP3_27	OCC=Cc1ccccc1	C104541
FP3_27	O=c1ccoc(CC)c1O	C4940118
FP3_27	OCC[C@@H](C)CCC=C(C)C	C7540514
FP3_27	OC(CCCC(C)C=C)(C)C	C53219219
FP3_27	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP3_27	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP3_27	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_27	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_27	N#Cc1c(O)cccc1	C611201
FP3_27	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP3_27	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP3_27	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP3_27	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_27	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_27	OC1CC(C)(C)CC(C)C1	C116029
FP3_27	OCCOCC(CC)CCCC	C1559359
FP3_27	OCCN(CC)CCO	C139877
FP3_27	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP3_27	O=C(CF)O	C144490
FP3_27	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_27	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_27	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
FP3_27	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP3_27	Oc1cc(C(C)C)ccc1C	C499752
FP3_27	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP3_27	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
FP3_27	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_27	OC(C)C(=O)OCCCC	C138227
FP3_27	OC(C)(C)CCCC(C)CC=O	C107755
FP3_27	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_27	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP3_27	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP3_27	Oc1c(OCC)cccc1	C94713
FP3_27	Oc1ccc(C(C)C)cc1	C99898
FP3_27	O[C@@H](C)C(=O)OCCCC	C34451199
FP3_27	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_27	OC(CO)c1ccccc1	C93561
FP3_27	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
FP3_27	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_27	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_27	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP3_27	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_27	Oc1c(C(C)C)cccc1	C88697
FP3_27	Oc1cc(C(C)C)ccc1	C618451
FP3_27	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_27	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP3_27	OCC(CCCC)CCCCCC	C3913028
FP3_27	Oc1cc(C(C)(C)C)ccc1	C585342
FP3_27	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
FP3_27	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_27	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_27	Oc1ccc(CCCC)cc1	C1638228
FP3_27	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_27	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP3_27	OCCOCC(C)OCCO	C9003116
FP3_27	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_27	O=C(c1ccccc1)c1ccccc1O	C117997
FP3_27	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_27	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_27	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_27	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP3_27	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_27	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_27	Oc1ccc(OCCCCCC)cc1	C18979550
FP3_27	O=C(O)c1c(C)cc(C)cc1C	C480637
FP3_27	OC1CCC(CCCC)CC1	C70568604
FP3_27	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_27	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP3_27	O=C(CCC(=O)O)NN(C)C	C1596845
FP3_27	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_27	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_27	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_27	Oc1c(cccc1)c1ccccc1	C90437
FP3_27	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP3_27	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
FP3_27	c1ccccc1OCCO	C122996
FP3_27	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP3_27	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP3_27	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_27	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_27	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_27	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_27	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP3_27	OCCOC	C109864
FP3_27	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_27	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP3_27	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP3_27	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP3_27	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_27	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP3_27	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
FP3_27	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_27	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_27	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_27	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP3_27	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP3_27	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP3_27	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_27	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP3_27	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_27	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP3_27	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_27	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_27	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP3_27	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP3_27	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_27	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_27	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_27	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_27	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP3_27	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_27	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP3_27	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_27	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_27	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_27	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP3_27	c1(ccc(cc1)O)NC(=O)C	C103902
FP3_27	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_27	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_27	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_27	OC(=O)c1ccccc1	C65850
FP3_27	OCc1ccccc1	C100516
FP3_27	OCC(CO)(CBr)CBr	C3296900
FP3_27	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP3_27	CC(C)(C)c1cc(O)ccc1O	C1948330
FP3_27	C(c1ccc(O)cc1)(C)(C)C	C98544
FP3_27	Oc1c(cccc1)O	C120809
FP3_27	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP3_27	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP3_27	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP3_27	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_27	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP3_27	OC(=O)C(Cl)Cl	C79436
FP3_27	Clc1c(ccc(c1)Cl)O	C120832
FP3_27	OCCOCCO	C111466
FP3_27	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP3_27	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_27	C(CO)O	C107211
FP3_27	CCC(CCCC)CO	C104767
FP3_27	Oc1c(cc(cc1)CC=C)OC	C97530
FP3_27	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_27	OCC(O)CO	C56815
FP3_27	OCC1CO1	C556525
FP3_27	Oc1c(ccc(c1)O)CCCCCC	C136776
FP3_27	Oc1ccc(cc1)O	C123319
FP3_27	Oc1cccc2cccnc12	C148243
FP3_27	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_27	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_27	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP3_27	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_27	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
FP3_27	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_27	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_27	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP3_27	Oc1ccccc1	C108952
FP3_27	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_27	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP3_27	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_27	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_27	CC(CO)O	C57556
FP3_27	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP3_27	Oc1cc(ccc1)O	C108463
FP3_27	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP3_27	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_27	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP3_27	OC(=O)C=CC=CC	C110441
FP3_27	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_27	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_27	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP3_27	ClC(C(=O)O)(Cl)Cl	C76039
FP3_27	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP3_27	OCCN(CCO)CCO	C102716
FP3_27	OCCOCCOCCO	C112276
FP3_27	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP3_27	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP3_27	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP3_27	OC(=O)CCC	C107926
FP3_27	CCCCOCCOCCO	C112345
FP3_27	Oc1ccccc1Cl	C95578
FP3_27	CCCCCCCCCC(=O)O	C334485
FP3_27	CC(Cl)(Cl)C(=O)O	C75990
FP3_27	O=C(O)CCCCCC	C111148
FP3_27	OC(=O)CCCCC(=O)O	C124049
FP3_27	CCCCCC(=O)O	C142621
FP3_27	CCCCCCCCC(=O)O	C112050
FP3_27	CCCCCCCCCCCCCCCCCC(=O)O	C57114
FP3_27	CCCCCCCC(=O)O	C124072
FP3_27	Oc1cc(C)c(Cl)cc1	C59507
FP3_27	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP3_27	Oc1c(C)cccc1	C95487
FP3_27	Oc1ccc([N+](=O)[O-])cc1	C100027
FP3_27	CCN(CCO)CC	C100378
FP3_27	Oc1c(C)cc(C)cc1	C105679
FP3_27	Oc1ccc(C)cc1	C106445
FP3_27	ClCCO	C107073
FP3_27	OCCNCCO	C111422
FP3_27	CCCCCCCCO	C111875
FP3_27	CCOCCOCCO	C111900
FP3_27	CCCCCCCCCCO	C112301
FP3_27	CCCCCCCCCCCCCO	C112709
FP3_27	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_27	OCCN	C141435
FP3_27	Oc1c(C)cc(C)cc1C	C527606
FP3_27	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP3_27	Oc1c(C)c(C)ccc1C	C2416946
FP3_27	Oc1ccc(CCCCCCCC)cc1	C1806264
FP3_27	c1(c(O)cccc1)C(CC)C	C89725
FP3_27	c1(ccc(cc1)O)C(CC)C	C99718
FP3_27	Oc1ccc(C=CC)cc1OC	C97541
FP3_27	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP3_27	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_27	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_27	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP3_27	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_27	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_27	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_27	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_27	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
FP3_27	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP3_27	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP3_27	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_27	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
FP3_27	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_27	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_27	C(=O)(O)C(CCC)CCC	C99661
FP3_27	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP3_27	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_27	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_27	Oc1cc(C)c(C)cc1	C95658
FP3_27	Oc1c(cccc1C)C	C576261
FP3_27	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP3_27	CCOCCO	C110805
FP3_27	CCCCOCCO	C111762
FP3_27	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP3_27	OCCOCCOCCOCC	C112505
FP3_27	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_27	O=C(O)c1ccc(N)cc1	C150130
FP3_27	Oc1c(ccc(N)c1)C	C2835952
FP3_27	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP3_27	[O-][N+](=O)C(CO)(CO)Br	C52517
FP3_27	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_27	OC(CCl)CCl	C96231
FP3_27	O(CCOC)CCO	C111773
FP3_27	Oc1c(ccc(C)c1)C	C95874
FP3_27	O=C(O)C(CCCC)CC	C149575
FP3_27	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_27	o1c(C)c(O)c(=O)cc1	C118718
FP3_27	O=C(OC)c1c(O)cccc1	C119368
FP3_27	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_27	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP3_27	Oc1c(C(C)(C)C)cccc1	C88186
FP3_27	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP3_27	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP3_27	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
FP3_27	OCCC(C)CCC=C(C)C	C106229
FP3_27	OC/C=C(\C)/CCC=C(C)C	C106241
FP3_27	OC/C=C(/C)\CCC=C(C)C	C106252
FP3_27	OCCC(O)C	C107880
FP3_27	OC(CC(C)C)C	C108112
FP3_27	OCCOCCCCCC	C112254
FP3_27	OCCCCCCCCCCC	C112425
FP3_27	OCCCCCCCCCCCC	C112538
FP3_27	OCCCCCCCCCCCCCC	C112721
FP3_27	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP3_27	OCC(CO)([N+](=O)[O-])CO	C126114
FP3_27	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP3_27	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP3_27	OCCCCCCCCCCCCCCC	C629765
FP3_27	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_27	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_27	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP3_27	O=C(O)C(O)CC(=O)O	C6915157
FP3_27	OC(OC(O)CC)CC	C25265718
FP3_27	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP3_27	OC(OCCCOC)CC	C34590948
FP3_27	OCCCCCCCCCCCCCCCC	C36653824
FP3_27	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP3_27	OCC(C)OCC(OCC(OC)C)C	C25498491
FP3_27	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
FP3_27	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_27	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
FP3_27	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
FP3_27	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
FP3_27	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_27	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_27	Oc1cc(C)ccc1C(C)C	C89838
FP3_27	O=C(O)CCCCCCCCC=C	C112389
FP3_27	O=C1NC(=O)C(N1CO)(C)C	C116256
FP3_27	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
FP3_27	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP3_27	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP3_27	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_27	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_27	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_27	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_27	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP3_27	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP3_27	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP3_27	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_27	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
FP3_27	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP3_27	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP3_27	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP3_27	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP3_27	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP3_27	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_27	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP3_27	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_27	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_27	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_27	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP3_27	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_27	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_27	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_27	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_27	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_27	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP3_27	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_27	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_27	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_27	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_27	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_27	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_27	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP3_27	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_27	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_27	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_27	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_27	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_27	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP3_27	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_27	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP3_27	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_27	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP3_27	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP3_27	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP3_27	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_27	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_27	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_27	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_27	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP3_27	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP3_27	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_27	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_27	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_27	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_27	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP3_27	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP3_27	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
FP3_27	Oc1cc2c(cccc2)c2ccccc12	C484173
FP3_27	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP3_27	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
FP3_27	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP3_27	OC(C(CC)CCCC)C#C	C5877429
FP3_27	OCCCBr	C627189
FP3_27	C(=O)(C)O	C64197
FP3_27	C(CO)C(C)C	C123513
FP3_27	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP3_27	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_27	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_27	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_27	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_27	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_27	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_27	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_27	OCCC(OC)C	C2517433
FP3_27	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_27	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_27	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_27	CC(CN(CC(C)O)CC(C)O)O	C122203
FP3_27	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_27	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP3_27	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP3_27	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP3_27	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP3_27	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP3_27	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_27	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP3_27	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_27	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP3_27	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP3_27	CC(c1ccc(CO)cc1)C	C536607
FP3_27	CC(=O)C(=O)O	C127173
FP3_27	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP3_27	c1ccccc1Oc1ccc(O)cc1	C831823
FP3_27	c1c(I)c(O)c(I)cc1C#N	C1689834
FP3_27	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP3_27	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_27	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_27	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_27	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_27	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP3_27	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_27	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP3_27	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_27	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_27	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP3_27	C(=O)(O)c1ccc(Cl)cc1	C74113
FP3_27	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP3_27	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_27	CCCCCc1cc(O)cc(O)c1	C500663
FP3_27	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP3_27	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP3_27	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_27	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP3_27	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP3_27	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP3_27	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP3_27	OCC=C(C)C	C556821
FP3_27	O=C(O)C(=O)C(C)(C)C	C815178
FP3_27	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_27	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP3_27	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP3_27	OCc1c[nH]c2c1cccc2	C700061
FP3_27	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP3_27	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_27	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP3_27	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP3_27	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP3_27	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_27	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP3_27	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP3_27	Oc1ccc(cc1)Nc1ccccc1	C122372
FP3_27	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_27	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_27	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_27	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP3_27	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP3_27	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_27	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_27	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP3_27	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP3_27	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP3_27	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP3_27	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP3_27	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_27	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP3_27	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP3_27	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP3_27	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_27	OCCN(CCCCCCCCCCCC)CCO	C1541679
FP3_27	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_27	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_27	O=C(O)CCSCCC(=O)O	C111171
FP3_27	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_27	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_27	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP3_27	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP3_27	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_27	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_27	O=C(OC)CCCC(=O)O	C1501275
FP3_27	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_27	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_27	O=C(OCCCCO)C=C	C2478106
FP3_27	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP3_27	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_27	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_27	O=C(O)CCCCCCCCCC(=O)O	C1852046
FP3_27	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP3_27	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP3_27	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_27	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_27	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP3_27	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP3_27	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_27	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP3_27	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP3_27	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP3_27	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP3_27	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_27	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_27	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_27	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_27	O=C(O)CSCCCCCCCCCCC	C116296312
FP3_27	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP3_27	OC1(C)SCC(O)(C)SC1	C55704784
FP3_27	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP3_28	C=CCO	C107186
FP3_28	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_28	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_28	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_28	CC(CNCC(C)O)O	C110974
FP3_28	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_28	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP3_28	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_28	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP3_28	CN(CCO)C	C108010
FP3_28	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP3_28	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_28	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_28	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_28	OC(CO)CCl	C96242
FP3_28	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP3_28	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_28	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP3_28	OC(=O)c1cccnc1	C59676
FP3_28	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP3_28	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_28	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_28	O=C(O)/C=C\C(=O)O	C110167
FP3_28	OC(=O)/C=C/C(=O)O	C110178
FP3_28	OCCOCCOCCOCCCC	C143226
FP3_28	CCCCCCCCCCCC(=O)O	C143077
FP3_28	OC(=O)CCCCCCCCCCCCCCC	C57103
FP3_28	O=C(O)CCCCCCCC(=O)O	C123999
FP3_28	OC(=O)CCCC	C109524
FP3_28	O=C(O)CCCCCCCCCCCCC	C544638
FP3_28	OCCC	C71238
FP3_28	OC(C)CN	C78966
FP3_28	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP3_28	OCCN1CCNCC1	C103764
FP3_28	CC(O)CC(C)(C)O	C107415
FP3_28	C1CCCCC1O	C108930
FP3_28	C(O)C#CCO	C110656
FP3_28	CCNCCO	C110736
FP3_28	CCCCCCO	C111273
FP3_28	CCCCCCCO	C111706
FP3_28	CCCCCCCCCO	C143088
FP3_28	n1c(C(=O)O)cccc1C(=O)O	C499832
FP3_28	C=CC(=O)OCCO	C818611
FP3_28	CC/C=C\CCO	C928961
FP3_28	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP3_28	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP3_28	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP3_28	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_28	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP3_28	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP3_28	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP3_28	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_28	C(=O)(/C=C/c1ccccc1)O	C140103
FP3_28	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_28	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_28	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP3_28	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP3_28	C(=O)(O)C(C)O	C50215
FP3_28	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_28	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_28	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_28	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_28	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
FP3_28	C(=O)(O)CCC(=O)O	C110156
FP3_28	NC(CO)(CO)CO	C77861
FP3_28	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP3_28	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_28	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_28	CC(O)COC	C107982
FP3_28	OCCCCO	C110634
FP3_28	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP3_28	C(C(=O)C)C(C)(C)O	C123422
FP3_28	OCNC(=O)NCO	C140954
FP3_28	OCC(C(O)CCC)CC	C94962
FP3_28	c1c(CO)occ1	C98000
FP3_28	C(=O)(O)CO	C79141
FP3_28	C(C)(C)(O)C#N	C75865
FP3_28	OC(C=C)(CCC=C(C)C)C	C78706
FP3_28	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP3_28	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP3_28	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP3_28	C(=O)(O)C(=O)O	C144627
FP3_28	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP3_28	O=C(O)CS	C68111
FP3_28	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_28	OCCc1ccccc1	C60128
FP3_28	O=C(O)c1ccccc1O	C69727
FP3_28	OC1CCC(C(C)(C)C)CC1	C98522
FP3_28	O=C(O)c1ccc(O)cc1	C99967
FP3_28	O=C(O)CCCCCCCCC(=O)O	C111206
FP3_28	OCCOCCOCCOC	C112356
FP3_28	OCCOCCOCCOCCO	C112607
FP3_28	OCC(CO)(CO)CO	C115775
FP3_28	OC(CCCCCC)C	C123966
FP3_28	OCC(N)(C)C	C124685
FP3_28	OCC(C)(C)CO	C126307
FP3_28	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP3_28	OC(C)COc1ccccc1	C770354
FP3_28	OCCOCCOCCOCCOCCCC	C1559348
FP3_28	OC1CCCCCCCCCCC1	C1724396
FP3_28	OCCOCCC	C2807309
FP3_28	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP3_28	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_28	OC(OCC(OC(O)CC)C)CC	C24800440
FP3_28	CC(CO)O	C25322694
FP3_28	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP3_28	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP3_28	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP3_28	OC(CCCC(C)C)(C)CC	C78693
FP3_28	OCC1OCCC1	C97994
FP3_28	OC(CC(C)CC(C)C)CC(C)C	C123171
FP3_28	OC(C)COCCC	C1569013
FP3_28	OCC(CCC)CCCCC	C10042598
FP3_28	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_28	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP3_28	OC1CC(CCC1C(C)C)C	C1490046
FP3_28	OCCC(C)CC(C)(C)C	C3452979
FP3_28	OC(OCCCC)CC	C29387868
FP3_28	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP3_28	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
FP3_28	OCn1nc(C)cc1C	C85264331
FP3_28	OCCSCCCCCCCC	C3547339
FP3_28	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_28	OC1CCCC1	C96413
FP3_28	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_28	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_28	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP3_28	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_28	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_28	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_28	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_28	OC(CCCCC)C=C	C3391864
FP3_28	OCCCCCCC/C=C/C=C/C	C33956499
FP3_28	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP3_28	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP3_28	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_28	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_28	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP3_28	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP3_28	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP3_28	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_28	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP3_28	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_28	OC1CCC(C(CC)(C)C)CC1	C5349519
FP3_28	OC1CCC(C2CCCCC2)CC1	C2433149
FP3_28	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_28	OC(C)(C)C1CC=C(C)CC1	C8000417
FP3_28	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP3_28	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_28	OCC(CCCCCC)CCCCCCCC	C2425776
FP3_28	CC(O)COCC	C1569024
FP3_28	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP3_28	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_28	OC(CCCC(C)C)(C)C	C13254347
FP3_28	OC(CC(C)C)(C)C#C	C107540
FP3_28	OCC=Cc1ccccc1	C104541
FP3_28	OCC[C@@H](C)CCC=C(C)C	C7540514
FP3_28	OC(CCCC(C)C=C)(C)C	C53219219
FP3_28	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP3_28	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP3_28	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_28	OC1CC(C)(C)CC(C)C1	C116029
FP3_28	OCCOCC(CC)CCCC	C1559359
FP3_28	OCCN(CC)CCO	C139877
FP3_28	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP3_28	O=C(CF)O	C144490
FP3_28	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_28	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_28	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
FP3_28	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP3_28	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP3_28	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
FP3_28	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_28	OC(C)C(=O)OCCCC	C138227
FP3_28	OC(C)(C)CCCC(C)CC=O	C107755
FP3_28	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_28	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP3_28	O[C@@H](C)C(=O)OCCCC	C34451199
FP3_28	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_28	OC(CO)c1ccccc1	C93561
FP3_28	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
FP3_28	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_28	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP3_28	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_28	OCC(CCCC)CCCCCC	C3913028
FP3_28	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
FP3_28	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_28	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_28	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_28	OCCOCC(C)OCCO	C9003116
FP3_28	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_28	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_28	O=C(O)c1c(C)cc(C)cc1C	C480637
FP3_28	OC1CCC(CCCC)CC1	C70568604
FP3_28	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_28	O=C(CCC(=O)O)NN(C)C	C1596845
FP3_28	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_28	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_28	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_28	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP3_28	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
FP3_28	c1ccccc1OCCO	C122996
FP3_28	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_28	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_28	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_28	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_28	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP3_28	OCCOC	C109864
FP3_28	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_28	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP3_28	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP3_28	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP3_28	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_28	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP3_28	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
FP3_28	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_28	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_28	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_28	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP3_28	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_28	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP3_28	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_28	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP3_28	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_28	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_28	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP3_28	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP3_28	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_28	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_28	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_28	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_28	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP3_28	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_28	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP3_28	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_28	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_28	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP3_28	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_28	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_28	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_28	OC(=O)c1ccccc1	C65850
FP3_28	OCc1ccccc1	C100516
FP3_28	OCC(CO)(CBr)CBr	C3296900
FP3_28	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP3_28	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP3_28	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP3_28	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_28	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP3_28	OC(=O)C(Cl)Cl	C79436
FP3_28	OCCOCCO	C111466
FP3_28	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_28	C(CO)O	C107211
FP3_28	CCC(CCCC)CO	C104767
FP3_28	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_28	OCC(O)CO	C56815
FP3_28	OCC1CO1	C556525
FP3_28	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_28	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_28	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP3_28	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_28	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
FP3_28	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_28	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_28	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_28	CC(CO)O	C57556
FP3_28	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP3_28	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_28	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP3_28	OC(=O)C=CC=CC	C110441
FP3_28	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_28	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_28	ClC(C(=O)O)(Cl)Cl	C76039
FP3_28	OCCN(CCO)CCO	C102716
FP3_28	OCCOCCOCCO	C112276
FP3_28	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP3_28	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP3_28	OC(=O)CCC	C107926
FP3_28	CCCCOCCOCCO	C112345
FP3_28	CCCCCCCCCC(=O)O	C334485
FP3_28	CC(Cl)(Cl)C(=O)O	C75990
FP3_28	O=C(O)CCCCCC	C111148
FP3_28	OC(=O)CCCCC(=O)O	C124049
FP3_28	CCCCCC(=O)O	C142621
FP3_28	CCCCCCCCC(=O)O	C112050
FP3_28	CCCCCCCCCCCCCCCCCC(=O)O	C57114
FP3_28	CCCCCCCC(=O)O	C124072
FP3_28	CCN(CCO)CC	C100378
FP3_28	ClCCO	C107073
FP3_28	OCCNCCO	C111422
FP3_28	CCCCCCCCO	C111875
FP3_28	CCOCCOCCO	C111900
FP3_28	CCCCCCCCCCO	C112301
FP3_28	CCCCCCCCCCCCCO	C112709
FP3_28	OCCN	C141435
FP3_28	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP3_28	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP3_28	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_28	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_28	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_28	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_28	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
FP3_28	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP3_28	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP3_28	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_28	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
FP3_28	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_28	C(=O)(O)C(CCC)CCC	C99661
FP3_28	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_28	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_28	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP3_28	CCOCCO	C110805
FP3_28	CCCCOCCO	C111762
FP3_28	OCCOCCOCCOCC	C112505
FP3_28	O=C(O)c1ccc(N)cc1	C150130
FP3_28	[O-][N+](=O)C(CO)(CO)Br	C52517
FP3_28	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_28	OC(CCl)CCl	C96231
FP3_28	O(CCOC)CCO	C111773
FP3_28	O=C(O)C(CCCC)CC	C149575
FP3_28	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_28	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
FP3_28	OCCC(C)CCC=C(C)C	C106229
FP3_28	OC/C=C(\C)/CCC=C(C)C	C106241
FP3_28	OC/C=C(/C)\CCC=C(C)C	C106252
FP3_28	OCCC(O)C	C107880
FP3_28	OC(CC(C)C)C	C108112
FP3_28	OCCOCCCCCC	C112254
FP3_28	OCCCCCCCCCCC	C112425
FP3_28	OCCCCCCCCCCCC	C112538
FP3_28	OCCCCCCCCCCCCCC	C112721
FP3_28	OCC(CO)([N+](=O)[O-])CO	C126114
FP3_28	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP3_28	OCCCCCCCCCCCCCCC	C629765
FP3_28	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_28	O=C(O)C(O)CC(=O)O	C6915157
FP3_28	OC(OC(O)CC)CC	C25265718
FP3_28	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP3_28	OC(OCCCOC)CC	C34590948
FP3_28	OCCCCCCCCCCCCCCCC	C36653824
FP3_28	OCC(C)OCC(OCC(OC)C)C	C25498491
FP3_28	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
FP3_28	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_28	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
FP3_28	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
FP3_28	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
FP3_28	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_28	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_28	O=C(O)CCCCCCCCC=C	C112389
FP3_28	O=C1NC(=O)C(N1CO)(C)C	C116256
FP3_28	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
FP3_28	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_28	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_28	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_28	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP3_28	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_28	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
FP3_28	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP3_28	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP3_28	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_28	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP3_28	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_28	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_28	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_28	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP3_28	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_28	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_28	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_28	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_28	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_28	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP3_28	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_28	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_28	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_28	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_28	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_28	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_28	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP3_28	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_28	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_28	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_28	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_28	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_28	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP3_28	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_28	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP3_28	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_28	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP3_28	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP3_28	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_28	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_28	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_28	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_28	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP3_28	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP3_28	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_28	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_28	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_28	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_28	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP3_28	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
FP3_28	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
FP3_28	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP3_28	OC(C(CC)CCCC)C#C	C5877429
FP3_28	OCCCBr	C627189
FP3_28	C(=O)(C)O	C64197
FP3_28	C(CO)C(C)C	C123513
FP3_28	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP3_28	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_28	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_28	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_28	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_28	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_28	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_28	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_28	OCCC(OC)C	C2517433
FP3_28	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_28	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_28	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_28	CC(CN(CC(C)O)CC(C)O)O	C122203
FP3_28	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_28	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP3_28	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP3_28	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_28	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_28	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP3_28	CC(c1ccc(CO)cc1)C	C536607
FP3_28	CC(=O)C(=O)O	C127173
FP3_28	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_28	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_28	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_28	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP3_28	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_28	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP3_28	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_28	C(=O)(O)c1ccc(Cl)cc1	C74113
FP3_28	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_28	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP3_28	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP3_28	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP3_28	OCC=C(C)C	C556821
FP3_28	O=C(O)C(=O)C(C)(C)C	C815178
FP3_28	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_28	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP3_28	OCc1c[nH]c2c1cccc2	C700061
FP3_28	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_28	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP3_28	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP3_28	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP3_28	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP3_28	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_28	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_28	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP3_28	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP3_28	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_28	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_28	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP3_28	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_28	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP3_28	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_28	OCCN(CCCCCCCCCCCC)CCO	C1541679
FP3_28	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_28	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_28	O=C(O)CCSCCC(=O)O	C111171
FP3_28	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP3_28	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_28	O=C(OC)CCCC(=O)O	C1501275
FP3_28	O=C(OCCCCO)C=C	C2478106
FP3_28	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP3_28	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_28	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_28	O=C(O)CCCCCCCCCC(=O)O	C1852046
FP3_28	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP3_28	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP3_28	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_28	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP3_28	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP3_28	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP3_28	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP3_28	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_28	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_28	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_28	O=C(O)CSCCCCCCCCCCC	C116296312
FP3_28	OC1(C)SCC(O)(C)SC1	C55704784
FP3_28	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP3_29	C=CCO	C107186
FP3_29	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_29	CN(CCO)C	C108010
FP3_29	OC(CO)CCl	C96242
FP3_29	OCCOCCOCCOCCCC	C143226
FP3_29	OCCC	C71238
FP3_29	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP3_29	OCCN1CCNCC1	C103764
FP3_29	C(O)C#CCO	C110656
FP3_29	CCNCCO	C110736
FP3_29	CCCCCCO	C111273
FP3_29	CCCCCCCO	C111706
FP3_29	CCCCCCCCCO	C143088
FP3_29	C=CC(=O)OCCO	C818611
FP3_29	CC/C=C\CCO	C928961
FP3_29	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_29	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_29	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
FP3_29	NC(CO)(CO)CO	C77861
FP3_29	OCCCCO	C110634
FP3_29	OCC(C(O)CCC)CC	C94962
FP3_29	c1c(CO)occ1	C98000
FP3_29	C(=O)(O)CO	C79141
FP3_29	OCCc1ccccc1	C60128
FP3_29	OCCOCCOCCOC	C112356
FP3_29	OCCOCCOCCOCCO	C112607
FP3_29	OCC(CO)(CO)CO	C115775
FP3_29	OCC(N)(C)C	C124685
FP3_29	OCC(C)(C)CO	C126307
FP3_29	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP3_29	OCCOCCOCCOCCOCCCC	C1559348
FP3_29	OCCOCCC	C2807309
FP3_29	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP3_29	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_29	CC(CO)O	C25322694
FP3_29	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP3_29	OCC1OCCC1	C97994
FP3_29	OCC(CCC)CCCCC	C10042598
FP3_29	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_29	OCCC(C)CC(C)(C)C	C3452979
FP3_29	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
FP3_29	OCCSCCCCCCCC	C3547339
FP3_29	OCCCCCCC/C=C/C=C/C	C33956499
FP3_29	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP3_29	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP3_29	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_29	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP3_29	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_29	OCC(CCCCCC)CCCCCCCC	C2425776
FP3_29	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_29	OCC=Cc1ccccc1	C104541
FP3_29	OCC[C@@H](C)CCC=C(C)C	C7540514
FP3_29	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP3_29	OCCOCC(CC)CCCC	C1559359
FP3_29	OCCN(CC)CCO	C139877
FP3_29	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_29	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_29	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
FP3_29	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_29	OC(CO)c1ccccc1	C93561
FP3_29	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_29	OCC(CCCC)CCCCCC	C3913028
FP3_29	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
FP3_29	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_29	OCCOCC(C)OCCO	C9003116
FP3_29	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_29	c1ccccc1OCCO	C122996
FP3_29	OCCOC	C109864
FP3_29	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP3_29	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP3_29	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_29	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_29	OCc1ccccc1	C100516
FP3_29	OCC(CO)(CBr)CBr	C3296900
FP3_29	OCCOCCO	C111466
FP3_29	C(CO)O	C107211
FP3_29	CCC(CCCC)CO	C104767
FP3_29	OCC(O)CO	C56815
FP3_29	OCC1CO1	C556525
FP3_29	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_29	CC(CO)O	C57556
FP3_29	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_29	OCCN(CCO)CCO	C102716
FP3_29	OCCOCCOCCO	C112276
FP3_29	CCCCOCCOCCO	C112345
FP3_29	CCN(CCO)CC	C100378
FP3_29	ClCCO	C107073
FP3_29	OCCNCCO	C111422
FP3_29	CCCCCCCCO	C111875
FP3_29	CCOCCOCCO	C111900
FP3_29	CCCCCCCCCCO	C112301
FP3_29	CCCCCCCCCCCCCO	C112709
FP3_29	OCCN	C141435
FP3_29	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_29	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_29	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_29	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
FP3_29	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP3_29	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP3_29	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_29	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_29	CCOCCO	C110805
FP3_29	CCCCOCCO	C111762
FP3_29	OCCOCCOCCOCC	C112505
FP3_29	[O-][N+](=O)C(CO)(CO)Br	C52517
FP3_29	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_29	O(CCOC)CCO	C111773
FP3_29	OCCC(C)CCC=C(C)C	C106229
FP3_29	OC/C=C(\C)/CCC=C(C)C	C106241
FP3_29	OC/C=C(/C)\CCC=C(C)C	C106252
FP3_29	OCCC(O)C	C107880
FP3_29	OCCOCCCCCC	C112254
FP3_29	OCCCCCCCCCCC	C112425
FP3_29	OCCCCCCCCCCCC	C112538
FP3_29	OCCCCCCCCCCCCCC	C112721
FP3_29	OCC(CO)([N+](=O)[O-])CO	C126114
FP3_29	OCCCCCCCCCCCCCCC	C629765
FP3_29	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP3_29	OCCCCCCCCCCCCCCCC	C36653824
FP3_29	OCC(C)OCC(OCC(OC)C)C	C25498491
FP3_29	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
FP3_29	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_29	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_29	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
FP3_29	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_29	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_29	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
FP3_29	OCCCBr	C627189
FP3_29	C(CO)C(C)C	C123513
FP3_29	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_29	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_29	OCCC(OC)C	C2517433
FP3_29	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_29	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_29	CC(c1ccc(CO)cc1)C	C536607
FP3_29	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_29	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP3_29	OCC=C(C)C	C556821
FP3_29	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_29	OCc1c[nH]c2c1cccc2	C700061
FP3_29	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_29	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_29	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP3_29	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP3_29	OCCN(CCCCCCCCCCCC)CCO	C1541679
FP3_29	O=C(OCCCCO)C=C	C2478106
FP3_29	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP3_29	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_30	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_30	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_30	CC(CNCC(C)O)O	C110974
FP3_30	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP3_30	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP3_30	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP3_30	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_30	OC(CO)CCl	C96242
FP3_30	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP3_30	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_30	OC(C)CN	C78966
FP3_30	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP3_30	CC(O)CC(C)(C)O	C107415
FP3_30	C1CCCCC1O	C108930
FP3_30	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP3_30	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP3_30	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_30	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP3_30	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_30	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_30	C(=O)(O)C(C)O	C50215
FP3_30	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_30	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
FP3_30	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP3_30	CC(O)COC	C107982
FP3_30	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP3_30	OCC(C(O)CCC)CC	C94962
FP3_30	OC1CCC(C(C)(C)C)CC1	C98522
FP3_30	OC(CCCCCC)C	C123966
FP3_30	OC(C)COc1ccccc1	C770354
FP3_30	OC1CCCCCCCCCCC1	C1724396
FP3_30	CC(CO)O	C25322694
FP3_30	OC(CC(C)CC(C)C)CC(C)C	C123171
FP3_30	OC(C)COCCC	C1569013
FP3_30	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_30	OC1CC(CCC1C(C)C)C	C1490046
FP3_30	OC1CCCC1	C96413
FP3_30	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP3_30	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_30	OC(CCCCC)C=C	C3391864
FP3_30	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP3_30	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_30	OC1CCC(C(CC)(C)C)CC1	C5349519
FP3_30	OC1CCC(C2CCCCC2)CC1	C2433149
FP3_30	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_30	CC(O)COCC	C1569024
FP3_30	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_30	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP3_30	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP3_30	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_30	OC1CC(C)(C)CC(C)C1	C116029
FP3_30	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP3_30	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_30	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_30	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP3_30	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
FP3_30	OC(C)C(=O)OCCCC	C138227
FP3_30	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_30	O[C@@H](C)C(=O)OCCCC	C34451199
FP3_30	OC(CO)c1ccccc1	C93561
FP3_30	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_30	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_30	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_30	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_30	OC1CCC(CCCC)CC1	C70568604
FP3_30	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_30	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_30	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP3_30	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_30	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_30	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_30	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP3_30	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_30	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_30	OCC(O)CO	C56815
FP3_30	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_30	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_30	CC(CO)O	C57556
FP3_30	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_30	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_30	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_30	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_30	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_30	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
FP3_30	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_30	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
FP3_30	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_30	OC(CCl)CCl	C96231
FP3_30	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_30	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
FP3_30	OCCC(O)C	C107880
FP3_30	OC(CC(C)C)C	C108112
FP3_30	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_30	O=C(O)C(O)CC(=O)O	C6915157
FP3_30	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_30	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_30	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP3_30	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP3_30	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_30	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP3_30	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_30	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_30	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_30	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_30	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_30	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_30	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_30	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_30	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_30	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_30	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_30	OC(C(CC)CCCC)C#C	C5877429
FP3_30	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_30	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_30	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_30	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_30	CC(CN(CC(C)O)CC(C)O)O	C122203
FP3_30	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP3_30	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP3_30	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_30	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP3_30	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP3_30	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP3_30	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP3_30	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP3_30	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP3_30	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_30	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_30	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP3_30	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_31	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_31	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_31	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_31	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_31	CC(O)CC(C)(C)O	C107415
FP3_31	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP3_31	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_31	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_31	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_31	C(C(=O)C)C(C)(C)O	C123422
FP3_31	C(C)(C)(O)C#N	C75865
FP3_31	OC(C=C)(CCC=C(C)C)C	C78706
FP3_31	OC(CCCC(C)C)(C)CC	C78693
FP3_31	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_31	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_31	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_31	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_31	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_31	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_31	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_31	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_31	OC(C)(C)C1CC=C(C)CC1	C8000417
FP3_31	OC(CCCC(C)C)(C)C	C13254347
FP3_31	OC(CC(C)C)(C)C#C	C107540
FP3_31	OC(CCCC(C)C=C)(C)C	C53219219
FP3_31	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP3_31	OC(C)(C)CCCC(C)CC=O	C107755
FP3_31	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_31	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_31	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_31	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_31	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_31	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_31	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_31	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_31	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_31	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_31	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_31	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP3_31	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_31	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_31	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_31	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_31	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_31	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_31	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP3_31	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_31	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_31	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_31	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_31	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_31	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_31	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_31	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_31	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_31	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_31	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_31	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_31	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_31	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_31	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_31	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_31	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP3_31	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_31	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_31	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_31	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_31	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_31	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_31	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_31	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_31	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP3_31	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_32	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_32	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_32	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_32	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_32	CC(O)CC(C)(C)O	C107415
FP3_32	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP3_32	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_32	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_32	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_32	C(C(=O)C)C(C)(C)O	C123422
FP3_32	C(C)(C)(O)C#N	C75865
FP3_32	OC(C=C)(CCC=C(C)C)C	C78706
FP3_32	OC(CCCC(C)C)(C)CC	C78693
FP3_32	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_32	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_32	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_32	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_32	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_32	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_32	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_32	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_32	OC(C)(C)C1CC=C(C)CC1	C8000417
FP3_32	OC(CCCC(C)C)(C)C	C13254347
FP3_32	OC(CC(C)C)(C)C#C	C107540
FP3_32	OC(CCCC(C)C=C)(C)C	C53219219
FP3_32	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP3_32	OC(C)(C)CCCC(C)CC=O	C107755
FP3_32	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_32	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_32	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_32	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_32	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_32	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_32	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_32	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_32	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_32	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_32	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_32	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP3_32	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_32	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_32	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_32	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_32	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_32	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_32	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP3_32	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_32	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_32	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_32	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_32	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_32	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_32	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_32	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_32	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_32	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_32	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_32	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_32	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_32	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_32	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_32	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_32	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP3_32	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_32	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_32	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_32	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_32	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_32	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_32	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_32	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_32	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP3_32	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_33	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_33	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_33	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_33	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_33	CC(O)CC(C)(C)O	C107415
FP3_33	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP3_33	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_33	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_33	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_33	C(C(=O)C)C(C)(C)O	C123422
FP3_33	C(C)(C)(O)C#N	C75865
FP3_33	OC(C=C)(CCC=C(C)C)C	C78706
FP3_33	OC(CCCC(C)C)(C)CC	C78693
FP3_33	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_33	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_33	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_33	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_33	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_33	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_33	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_33	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_33	OC(C)(C)C1CC=C(C)CC1	C8000417
FP3_33	OC(CCCC(C)C)(C)C	C13254347
FP3_33	OC(CC(C)C)(C)C#C	C107540
FP3_33	OC(CCCC(C)C=C)(C)C	C53219219
FP3_33	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP3_33	OC(C)(C)CCCC(C)CC=O	C107755
FP3_33	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_33	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_33	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_33	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_33	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_33	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_33	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_33	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_33	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_33	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_33	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_33	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP3_33	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_33	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_33	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_33	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_33	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_33	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_33	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP3_33	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_33	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_33	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_33	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_33	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_33	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_33	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_33	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_33	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_33	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_33	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_33	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_33	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_33	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_33	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_33	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_33	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP3_33	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_33	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_33	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_33	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_33	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_33	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_33	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_33	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_33	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP3_33	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_34	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP3_34	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_34	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP3_34	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP3_34	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP3_34	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP3_34	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_34	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP3_34	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP3_34	COc1ccc(cc1)O	C150765
FP3_34	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP3_34	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP3_34	Oc1ccc(cc1)c1ccccc1	C92693
FP3_34	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP3_34	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP3_34	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_34	c1(O)ccccc1C(=O)N	C65452
FP3_34	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP3_34	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP3_34	Oc1c([N+](=O)[O-])cccc1	C88755
FP3_34	O=Cc1ccccc1O	C90028
FP3_34	Oc1cccc2ccccc12	C90153
FP3_34	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP3_34	Oc1ccc(Cl)cc1	C106489
FP3_34	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_34	Oc1c(Br)cc(Br)cc1Br	C118796
FP3_34	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_34	Oc1ccc(CC)cc1	C123079
FP3_34	Oc1ccc(CCC)cc1	C645567
FP3_34	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP3_34	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP3_34	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP3_34	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP3_34	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP3_34	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP3_34	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_34	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP3_34	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP3_34	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP3_34	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP3_34	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP3_34	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_34	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP3_34	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP3_34	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP3_34	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP3_34	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP3_34	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP3_34	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP3_34	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP3_34	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP3_34	c1(c(CC)cccc1)O	C90006
FP3_34	c1c(O)cccc1CC	C620177
FP3_34	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP3_34	c1(c(ccc(c1)Cl)O)C	C1570645
FP3_34	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_34	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_34	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_34	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_34	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP3_34	c1cccc(OC)c1O	C90051
FP3_34	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_34	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP3_34	Cc1cc(O)ccc1	C108394
FP3_34	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_34	Oc1cc(Cl)ccc1Cl	C583788
FP3_34	N(C)(C)c1cccc(O)c1	C99070
FP3_34	Cc1c(C)cccc1O	C526750
FP3_34	Cc1cc(C)cc(O)c1	C108689
FP3_34	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP3_34	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP3_34	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_34	O=C(O)c1ccccc1O	C69727
FP3_34	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP3_34	O=C(O)c1ccc(O)cc1	C99967
FP3_34	Oc1ccc2ccccc2c1	C135193
FP3_34	O=S(=O)(c1ccccc1O)O	C1333397
FP3_34	Oc1cccc2c1OC(C)(C)C2	C1563388
FP3_34	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP3_34	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_34	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP3_34	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP3_34	O=C(c1ccc(O)cc1)C	C99934
FP3_34	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP3_34	Oc1cc(C)c(Cl)c(C)c1	C88040
FP3_34	CCCCCCCCCc1ccc(O)cc1	C104405
FP3_34	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_34	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_34	O=C(CBr)c1ccc(O)cc1	C2491385
FP3_34	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_34	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP3_34	Oc1ccc(CCCCCCC)cc1	C1987504
FP3_34	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP3_34	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP3_34	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_34	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP3_34	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP3_34	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP3_34	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_34	O=C(c1ccccc1O)C	C118934
FP3_34	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP3_34	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP3_34	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP3_34	Oc1ccccc1CN(C)C	C120650
FP3_34	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP3_34	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP3_34	O=c1ccoc(CC)c1O	C4940118
FP3_34	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_34	N#Cc1c(O)cccc1	C611201
FP3_34	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP3_34	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP3_34	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP3_34	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_34	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_34	Oc1cc(C(C)C)ccc1C	C499752
FP3_34	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP3_34	Oc1c(OCC)cccc1	C94713
FP3_34	Oc1ccc(C(C)C)cc1	C99898
FP3_34	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_34	Oc1c(C(C)C)cccc1	C88697
FP3_34	Oc1cc(C(C)C)ccc1	C618451
FP3_34	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_34	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP3_34	Oc1cc(C(C)(C)C)ccc1	C585342
FP3_34	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_34	Oc1ccc(CCCC)cc1	C1638228
FP3_34	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP3_34	O=C(c1ccccc1)c1ccccc1O	C117997
FP3_34	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_34	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_34	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_34	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP3_34	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_34	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_34	Oc1ccc(OCCCCCC)cc1	C18979550
FP3_34	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP3_34	Oc1c(cccc1)c1ccccc1	C90437
FP3_34	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP3_34	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP3_34	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_34	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP3_34	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP3_34	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_34	c1(ccc(cc1)O)NC(=O)C	C103902
FP3_34	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP3_34	CC(C)(C)c1cc(O)ccc1O	C1948330
FP3_34	C(c1ccc(O)cc1)(C)(C)C	C98544
FP3_34	Oc1c(cccc1)O	C120809
FP3_34	Clc1c(ccc(c1)Cl)O	C120832
FP3_34	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP3_34	Oc1c(cc(cc1)CC=C)OC	C97530
FP3_34	Oc1c(ccc(c1)O)CCCCCC	C136776
FP3_34	Oc1ccc(cc1)O	C123319
FP3_34	Oc1cccc2cccnc12	C148243
FP3_34	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_34	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_34	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP3_34	Oc1ccccc1	C108952
FP3_34	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_34	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP3_34	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_34	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP3_34	Oc1cc(ccc1)O	C108463
FP3_34	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_34	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP3_34	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP3_34	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP3_34	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP3_34	Oc1ccccc1Cl	C95578
FP3_34	Oc1cc(C)c(Cl)cc1	C59507
FP3_34	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP3_34	Oc1c(C)cccc1	C95487
FP3_34	Oc1ccc([N+](=O)[O-])cc1	C100027
FP3_34	Oc1c(C)cc(C)cc1	C105679
FP3_34	Oc1ccc(C)cc1	C106445
FP3_34	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_34	Oc1c(C)cc(C)cc1C	C527606
FP3_34	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP3_34	Oc1c(C)c(C)ccc1C	C2416946
FP3_34	Oc1ccc(CCCCCCCC)cc1	C1806264
FP3_34	c1(c(O)cccc1)C(CC)C	C89725
FP3_34	c1(ccc(cc1)O)C(CC)C	C99718
FP3_34	Oc1ccc(C=CC)cc1OC	C97541
FP3_34	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_34	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_34	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_34	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP3_34	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_34	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_34	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP3_34	Oc1cc(C)c(C)cc1	C95658
FP3_34	Oc1c(cccc1C)C	C576261
FP3_34	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP3_34	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_34	Oc1c(ccc(N)c1)C	C2835952
FP3_34	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP3_34	Oc1c(ccc(C)c1)C	C95874
FP3_34	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_34	o1c(C)c(O)c(=O)cc1	C118718
FP3_34	O=C(OC)c1c(O)cccc1	C119368
FP3_34	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_34	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP3_34	Oc1c(C(C)(C)C)cccc1	C88186
FP3_34	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP3_34	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP3_34	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP3_34	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP3_34	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_34	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP3_34	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP3_34	Oc1cc(C)ccc1C(C)C	C89838
FP3_34	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP3_34	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP3_34	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_34	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP3_34	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP3_34	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP3_34	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP3_34	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP3_34	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_34	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_34	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP3_34	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_34	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP3_34	Oc1cc2c(cccc2)c2ccccc12	C484173
FP3_34	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP3_34	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP3_34	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP3_34	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP3_34	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP3_34	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP3_34	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP3_34	c1ccccc1Oc1ccc(O)cc1	C831823
FP3_34	c1c(I)c(O)c(I)cc1C#N	C1689834
FP3_34	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP3_34	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_34	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_34	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_34	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP3_34	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP3_34	CCCCCc1cc(O)cc(O)c1	C500663
FP3_34	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP3_34	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_34	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP3_34	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP3_34	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP3_34	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP3_34	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP3_34	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP3_34	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_34	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP3_34	Oc1ccc(cc1)Nc1ccccc1	C122372
FP3_34	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_34	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_34	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP3_34	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP3_34	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP3_34	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP3_34	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP3_34	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP3_34	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_34	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_34	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP3_34	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_34	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_34	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_34	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_34	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP3_34	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_34	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_34	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP3_34	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_34	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_34	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP3_35	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP3_35	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP3_35	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_35	Oc1c(cccc1)O	C120809
FP3_35	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_35	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_35	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP3_35	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_35	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_35	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_35	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_35	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_35	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP3_35	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_35	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_35	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_36	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_36	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_36	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_37	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP3_37	Nc1ccc(OC)cc1.Cl	C20265978
FP3_37	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_37	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_37	CC(=O)OCc1ccccc1	C140114
FP3_37	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_37	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_37	ClCOC	C107302
FP3_37	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_37	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP3_37	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP3_37	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP3_37	C=CCc1ccc(cc1)OC	C140670
FP3_37	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP3_37	CC1(C)OC2(C)CCC1CC2	C470826
FP3_37	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP3_37	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_37	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_37	O=C(Nc1ccccc1)OC(C)C	C122429
FP3_37	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_37	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP3_37	COc1ccc(cc1)O	C150765
FP3_37	NC(=O)OC	C598550
FP3_37	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP3_37	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP3_37	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_37	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP3_37	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP3_37	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP3_37	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_37	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_37	OCCOCCOCCOCCCC	C143226
FP3_37	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP3_37	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP3_37	c1cc(N)ccc1C(=O)OCC	C94097
FP3_37	c1ccccc1Oc1ccccc1	C101848
FP3_37	CCOC(=O)CC(=O)OCC	C105533
FP3_37	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_37	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_37	CCCCCC(=O)OCC	C123660
FP3_37	COc1ccc(OC)cc1	C150787
FP3_37	O=C(OC(C)(C)C)C	C540885
FP3_37	CCCCCCC1OC(=O)CC1	C706149
FP3_37	C=CC(=O)OCCO	C818611
FP3_37	Nc1ccc(OCCCCCC)cc1	C39905572
FP3_37	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP3_37	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP3_37	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_37	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP3_37	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_37	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_37	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_37	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_37	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_37	c1cccc(OC)c1O	C90051
FP3_37	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_37	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_37	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP3_37	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_37	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP3_37	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_37	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_37	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP3_37	CC(O)COC	C107982
FP3_37	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_37	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP3_37	O=C(OCCCC)C=C	C141322
FP3_37	C(OCCCC)C1CO1	C2426086
FP3_37	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP3_37	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP3_37	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP3_37	O=C(OCC)c1c(N)cccc1	C87252
FP3_37	O=C(OCC(CCCC)CC)C=C	C103117
FP3_37	O=C(OCCCCCC)c1ccccc1	C6789884
FP3_37	O(C(C)C)C(=O)C	C108214
FP3_37	C1COCCN1	C110918
FP3_37	O(c1ccc(N)cc1)CC	C156434
FP3_37	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP3_37	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP3_37	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_37	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_37	O(C)c1cc(C=O)ccc1OC	C120149
FP3_37	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
FP3_37	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP3_37	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP3_37	O=C(C)OCC(CC)CCCC	C103093
FP3_37	N1(SSN2CCOCC2)CCOCC1	C103344
FP3_37	c1(OCCOc2ccccc2)ccccc1	C104665
FP3_37	O=C1OCC(C)O1	C108327
FP3_37	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
FP3_37	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
FP3_37	O=C(OC)CCCCCCCCC	C110429
FP3_37	O=C(C)OCCOC(=O)C	C111557
FP3_37	O=C(C)OCCOCCCC	C112072
FP3_37	OCCOCCOCCOC	C112356
FP3_37	OCCOCCOCCOCCO	C112607
FP3_37	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
FP3_37	O=Cc1ccc(OC)cc1	C123115
FP3_37	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP3_37	O=COC(C)C	C625558
FP3_37	OC(C)COc1ccccc1	C770354
FP3_37	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
FP3_37	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP3_37	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP3_37	OCCOCCOCCOCCOCCCC	C1559348
FP3_37	Oc1cccc2c1OC(C)(C)C2	C1563388
FP3_37	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP3_37	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_37	OCCOCCC	C2807309
FP3_37	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_37	O=C(CS)OCC(CC)CCCC	C7659861
FP3_37	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP3_37	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_37	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP3_37	OC(OCC(OC(O)CC)C)CC	C24800440
FP3_37	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP3_37	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP3_37	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP3_37	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP3_37	C1(CO1)COCCCCCCCCCCCC	C68609972
FP3_37	OCC1OCCC1	C97994
FP3_37	CN1CCOCC1	C109024
FP3_37	O=C(OCc1ccccc1)c1ccccc1	C120514
FP3_37	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP3_37	OC(C)COCCC	C1569013
FP3_37	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP3_37	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_37	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP3_37	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP3_37	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP3_37	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP3_37	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP3_37	OC(OCCCC)CC	C29387868
FP3_37	O=C(C)OCCC(C)C(CC)CC	C108419336
FP3_37	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP3_37	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP3_37	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP3_37	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP3_37	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP3_37	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_37	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP3_37	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP3_37	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP3_37	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP3_37	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP3_37	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_37	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP3_37	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP3_37	O=C1OC(CCCCC)CC1	C104610
FP3_37	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_37	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP3_37	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_37	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP3_37	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP3_37	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP3_37	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP3_37	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_37	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP3_37	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_37	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP3_37	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP3_37	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_37	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP3_37	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP3_37	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_37	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP3_37	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP3_37	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_37	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP3_37	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP3_37	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP3_37	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_37	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_37	O=C(CC)OCC	C105373
FP3_37	O=C1OCC(CC)O1	C4437858
FP3_37	O=C(CBr)OCc1ccccc1	C5437456
FP3_37	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_37	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP3_37	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP3_37	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_37	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
FP3_37	O=C(OCC)c1c(C)cccc1	C87241
FP3_37	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP3_37	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_37	CC(O)COCC	C1569024
FP3_37	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP3_37	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_37	O=C1CCC(O1)CC	C695067
FP3_37	O=C1OC(CCCCCC)(C)CC1	C7011838
FP3_37	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP3_37	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP3_37	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP3_37	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP3_37	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP3_37	O1C=CCCC1	C110872
FP3_37	O=C(CC(C)C)OCC(C)CC	C2445774
FP3_37	O=C(C)OCC/C=C\CC	C3681718
FP3_37	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP3_37	NCCCN1CCOCC1	C123002
FP3_37	O=C(CCC)OCCCCC	C540181
FP3_37	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_37	O=C(C)OC(C)c1ccccc1	C93925
FP3_37	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_37	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP3_37	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP3_37	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_37	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP3_37	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP3_37	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP3_37	OCCOCC(CC)CCCC	C1559359
FP3_37	CCOC(OCC)OCC	C122510
FP3_37	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP3_37	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_37	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_37	O=C(CCC)OCCCCCCC	C5870939
FP3_37	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP3_37	CCCCCCCCCCCCN1CCOCC1	C1541817
FP3_37	OC(C)C(=O)OCCCC	C138227
FP3_37	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_37	Oc1c(OCC)cccc1	C94713
FP3_37	COc1ccc(CCC)cc1	C104450
FP3_37	O[C@@H](C)C(=O)OCCCC	C34451199
FP3_37	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_37	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_37	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP3_37	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP3_37	O=C(C)OCCCCCCCC	C112141
FP3_37	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP3_37	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP3_37	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP3_37	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP3_37	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
FP3_37	O=C(CCCCCCCCC=C)OCC	C692864
FP3_37	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP3_37	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP3_37	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_37	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP3_37	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_37	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP3_37	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP3_37	O=C(c1ccccc1)OCCC(C)C	C94462
FP3_37	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP3_37	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP3_37	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
FP3_37	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP3_37	OCCOCC(C)OCCO	C9003116
FP3_37	O=C1OC(CCC)CC1	C105215
FP3_37	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP3_37	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_37	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_37	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_37	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_37	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP3_37	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_37	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP3_37	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_37	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP3_37	Oc1ccc(OCCCCCC)cc1	C18979550
FP3_37	Nc1ccc(cc1)OCCCC	C4344552
FP3_37	O=C(OC)c1c(C)cccc1	C89714
FP3_37	O=C(Oc1ccccc1)c1ccccc1	C93992
FP3_37	O=C(OCC)c1ccc(C)cc1	C94086
FP3_37	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_37	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP3_37	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP3_37	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_37	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_37	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP3_37	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP3_37	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP3_37	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP3_37	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP3_37	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP3_37	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP3_37	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP3_37	c1ccccc1OCCO	C122996
FP3_37	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP3_37	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP3_37	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP3_37	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP3_37	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP3_37	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP3_37	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP3_37	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_37	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP3_37	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_37	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP3_37	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP3_37	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP3_37	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP3_37	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP3_37	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_37	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_37	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP3_37	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP3_37	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP3_37	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_37	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP3_37	OCCOC	C109864
FP3_37	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_37	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP3_37	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP3_37	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_37	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP3_37	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP3_37	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP3_37	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP3_37	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP3_37	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_37	O=C(NCCCC)OCC#CI	C55406536
FP3_37	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP3_37	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_37	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP3_37	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP3_37	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_37	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP3_37	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP3_37	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP3_37	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP3_37	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP3_37	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_37	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_37	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP3_37	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP3_37	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP3_37	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP3_37	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP3_37	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP3_37	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP3_37	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP3_37	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP3_37	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP3_37	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP3_37	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP3_37	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP3_37	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP3_37	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP3_37	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP3_37	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_37	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP3_37	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP3_37	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP3_37	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP3_37	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP3_37	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_37	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP3_37	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP3_37	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP3_37	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP3_37	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_37	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_37	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP3_37	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP3_37	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP3_37	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP3_37	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_37	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP3_37	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP3_37	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_37	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP3_37	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP3_37	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP3_37	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_37	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP3_37	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP3_37	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_37	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_37	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_37	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_37	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP3_37	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP3_37	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP3_37	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_37	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_37	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP3_37	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP3_37	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP3_37	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP3_37	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP3_37	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP3_37	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP3_37	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP3_37	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_37	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_37	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP3_37	C/C=C/c1ccc(cc1)OC	C4180238
FP3_37	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_37	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_37	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_37	ClCCOCCCl	C111444
FP3_37	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP3_37	O=C1CCCO1	C96480
FP3_37	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP3_37	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_37	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP3_37	Nc1cc(ccc1OC)C	C120718
FP3_37	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP3_37	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP3_37	OCCOCCO	C111466
FP3_37	CC1CC(OC(O1)C)OC(=O)C	C828002
FP3_37	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP3_37	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP3_37	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
FP3_37	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP3_37	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_37	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP3_37	O1C2C1CCC(C2)C1CO1	C106876
FP3_37	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP3_37	Oc1c(cc(cc1)CC=C)OC	C97530
FP3_37	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
FP3_37	OCC1CO1	C556525
FP3_37	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_37	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_37	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP3_37	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP3_37	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP3_37	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_37	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_37	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP3_37	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_37	C=CCc1ccc2c(c1)OCO2	C94597
FP3_37	C1C(c2ccccc2)O1	C96093
FP3_37	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_37	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_37	OCCOCCOCCO	C112276
FP3_37	NC(=O)OCC	C51796
FP3_37	CCCCOCCOCCO	C112345
FP3_37	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP3_37	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
FP3_37	CC(=O)OCCOCC	C111159
FP3_37	CCOCCOCCO	C111900
FP3_37	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP3_37	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_37	Oc1ccc(C=CC)cc1OC	C97541
FP3_37	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP3_37	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_37	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_37	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_37	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_37	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_37	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP3_37	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_37	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_37	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_37	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_37	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_37	Nc1c(OC)cccc1	C90040
FP3_37	Brc1ccc(Oc2ccccc2)cc1	C101553
FP3_37	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP3_37	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP3_37	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP3_37	CCOCCO	C110805
FP3_37	CCCCOCCO	C111762
FP3_37	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_37	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP3_37	OCCOCCOCCOCC	C112505
FP3_37	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_37	O(CCOC)CCOC	C111966
FP3_37	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP3_37	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP3_37	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_37	O(CCOC)CCO	C111773
FP3_37	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP3_37	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP3_37	C(CCCC(=O)OC)C(=O)OC	C627930
FP3_37	COC(=O)CCCC(=O)OC	C1119400
FP3_37	C(=O)(OC)CCC(=O)OC	C106650
FP3_37	C(CC(C)C)OC(=O)C	C123922
FP3_37	O=C(OC)c1c(N)cccc1	C134203
FP3_37	O(C)c1cc(CC=C)ccc1OC	C93152
FP3_37	O=C(OC)c1c(O)cccc1	C119368
FP3_37	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_37	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_37	O=C(OCCOCCOCCOC(=O)C)C	C111217
FP3_37	C(OCCOC)COCCOC	C112492
FP3_37	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP3_37	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP3_37	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP3_37	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
FP3_37	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP3_37	O=C(OC)CCCCCCC	C111115
FP3_37	O=C(OC)CCCCCCCCCCC	C111820
FP3_37	OCCOCCCCCC	C112254
FP3_37	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP3_37	O=C(C)OCCCCC	C628637
FP3_37	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_37	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_37	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP3_37	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP3_37	OC(OC(O)CC)CC	C25265718
FP3_37	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP3_37	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP3_37	O=C(OCCCCCC(C)C)C=C	C29590429
FP3_37	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP3_37	OC(OCCCOC)CC	C34590948
FP3_37	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP3_37	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP3_37	O=C(OC)CC(=O)OC	C108598
FP3_37	CCC12N(COC1)COC2	C7747355
FP3_37	OCC(C)OCC(OCC(OC)C)C	C25498491
FP3_37	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_37	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP3_37	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_37	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP3_37	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP3_37	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP3_37	O=C1CCC(O1)CCCCCCC	C104676
FP3_37	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP3_37	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP3_37	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP3_37	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_37	O=C(OCC)CCC(=O)OCC	C123251
FP3_37	O=C(CCC)OCC	C105544
FP3_37	O=C(OCC)CCCCCC	C106309
FP3_37	O=C(OCCCC)c1ccccc1	C136607
FP3_37	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_37	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_37	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP3_37	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP3_37	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
FP3_37	O=C(CCC)OCCC(C)C	C106274
FP3_37	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP3_37	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP3_37	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_37	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP3_37	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP3_37	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_37	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP3_37	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP3_37	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP3_37	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP3_37	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_37	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_37	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_37	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP3_37	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_37	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP3_37	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_37	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_37	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP3_37	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP3_37	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_37	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_37	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP3_37	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP3_37	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_37	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP3_37	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP3_37	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP3_37	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_37	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP3_37	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP3_37	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_37	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_37	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_37	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_37	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_37	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP3_37	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_37	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_37	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP3_37	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_37	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP3_37	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP3_37	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_37	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_37	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_37	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP3_37	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_37	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_37	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP3_37	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP3_37	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP3_37	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP3_37	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP3_37	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_37	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP3_37	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_37	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP3_37	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_37	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP3_37	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_37	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP3_37	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP3_37	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP3_37	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP3_37	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_37	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_37	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_37	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
FP3_37	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP3_37	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP3_37	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_37	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP3_37	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP3_37	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP3_37	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
FP3_37	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
FP3_37	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP3_37	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP3_37	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP3_37	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP3_37	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP3_37	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP3_37	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_37	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
FP3_37	NCCOCCOCCN	C929599
FP3_37	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP3_37	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP3_37	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_37	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_37	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP3_37	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_37	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_37	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP3_37	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_37	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP3_37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP3_37	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP3_37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP3_37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP3_37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP3_37	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP3_37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP3_37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP3_37	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP3_37	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP3_37	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP3_37	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP3_37	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP3_37	OCCC(OC)C	C2517433
FP3_37	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP3_37	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_37	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_37	O=COCC	C109944
FP3_37	O=C(OCC)c1ccccc1	C93890
FP3_37	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP3_37	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_37	CC(=O)OCC	C141786
FP3_37	CC(=O)OCCCC	C123864
FP3_37	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_37	CCC1CO1	C106887
FP3_37	CC1CC(=O)O1	C3068880
FP3_37	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP3_37	O=C(/C=C\C(=O)OCC)OCC	C141059
FP3_37	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_37	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP3_37	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP3_37	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_37	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP3_37	c1ccccc1Oc1ccc(O)cc1	C831823
FP3_37	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP3_37	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP3_37	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP3_37	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_37	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_37	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_37	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP3_37	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP3_37	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP3_37	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_37	Nc1ccc(OC)cc1	C104949
FP3_37	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
FP3_37	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP3_37	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP3_37	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP3_37	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP3_37	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP3_37	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP3_37	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
FP3_37	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP3_37	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_37	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP3_37	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP3_37	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP3_37	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP3_37	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP3_37	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP3_37	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP3_37	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP3_37	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP3_37	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP3_37	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_37	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_37	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_37	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_37	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_37	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP3_37	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_37	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP3_37	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_37	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_37	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP3_37	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP3_37	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP3_37	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP3_37	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP3_37	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP3_37	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_37	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP3_37	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP3_37	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_37	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP3_37	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP3_37	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
FP3_37	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP3_37	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP3_37	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_37	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP3_37	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_37	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_37	O=C(OC)CCCC(=O)O	C1501275
FP3_37	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_37	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_37	O=C(OCCOC(=O)C=C)C=C	C2274115
FP3_37	O=C(OCCCCO)C=C	C2478106
FP3_37	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_37	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP3_37	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP3_37	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_37	NCCCOCCCCCCCC	C15930662
FP3_37	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_37	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP3_37	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_37	CC1COc2ccccc2N1	C32329207
FP3_37	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP3_37	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP3_37	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP3_37	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_37	COC(OC)C(C)c1ccccc1	C90879
FP3_37	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP3_37	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP3_37	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP3_37	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP3_37	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP3_37	CC/C=C\CCOC(OCC)C	C28069741
FP3_37	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP3_37	NNC(=O)OCc1ccccc1	C5331431
FP3_37	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_37	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_37	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_37	O=COCc1ccc(OC)cc1	C122918
FP3_38	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP3_38	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_38	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_38	CC(=O)OCc1ccccc1	C140114
FP3_38	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_38	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_38	ClCOC	C107302
FP3_38	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP3_38	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP3_38	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP3_38	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP3_38	CC1(C)OC2(C)CCC1CC2	C470826
FP3_38	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP3_38	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_38	O=C(Nc1ccccc1)OC(C)C	C122429
FP3_38	NC(=O)OC	C598550
FP3_38	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP3_38	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_38	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP3_38	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP3_38	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_38	OCCOCCOCCOCCCC	C143226
FP3_38	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP3_38	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP3_38	c1cc(N)ccc1C(=O)OCC	C94097
FP3_38	CCOC(=O)CC(=O)OCC	C105533
FP3_38	CCCCCC(=O)OCC	C123660
FP3_38	O=C(OC(C)(C)C)C	C540885
FP3_38	CCCCCCC1OC(=O)CC1	C706149
FP3_38	C=CC(=O)OCCO	C818611
FP3_38	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP3_38	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_38	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_38	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_38	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_38	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_38	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP3_38	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_38	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP3_38	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP3_38	CC(O)COC	C107982
FP3_38	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_38	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP3_38	O=C(OCCCC)C=C	C141322
FP3_38	C(OCCCC)C1CO1	C2426086
FP3_38	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP3_38	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP3_38	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP3_38	O=C(OCC)c1c(N)cccc1	C87252
FP3_38	O=C(OCC(CCCC)CC)C=C	C103117
FP3_38	O=C(OCCCCCC)c1ccccc1	C6789884
FP3_38	O(C(C)C)C(=O)C	C108214
FP3_38	C1COCCN1	C110918
FP3_38	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP3_38	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP3_38	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_38	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_38	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
FP3_38	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP3_38	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP3_38	O=C(C)OCC(CC)CCCC	C103093
FP3_38	N1(SSN2CCOCC2)CCOCC1	C103344
FP3_38	O=C1OCC(C)O1	C108327
FP3_38	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
FP3_38	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
FP3_38	O=C(OC)CCCCCCCCC	C110429
FP3_38	O=C(C)OCCOC(=O)C	C111557
FP3_38	O=C(C)OCCOCCCC	C112072
FP3_38	OCCOCCOCCOC	C112356
FP3_38	OCCOCCOCCOCCO	C112607
FP3_38	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
FP3_38	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP3_38	O=COC(C)C	C625558
FP3_38	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
FP3_38	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP3_38	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP3_38	OCCOCCOCCOCCOCCCC	C1559348
FP3_38	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP3_38	OCCOCCC	C2807309
FP3_38	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_38	O=C(CS)OCC(CC)CCCC	C7659861
FP3_38	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP3_38	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP3_38	OC(OCC(OC(O)CC)C)CC	C24800440
FP3_38	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP3_38	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP3_38	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP3_38	C1(CO1)COCCCCCCCCCCCC	C68609972
FP3_38	OCC1OCCC1	C97994
FP3_38	CN1CCOCC1	C109024
FP3_38	O=C(OCc1ccccc1)c1ccccc1	C120514
FP3_38	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP3_38	OC(C)COCCC	C1569013
FP3_38	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP3_38	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP3_38	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP3_38	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP3_38	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP3_38	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP3_38	OC(OCCCC)CC	C29387868
FP3_38	O=C(C)OCCC(C)C(CC)CC	C108419336
FP3_38	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP3_38	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP3_38	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP3_38	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP3_38	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP3_38	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_38	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP3_38	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP3_38	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP3_38	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP3_38	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP3_38	O=C1OC(CCCCC)CC1	C104610
FP3_38	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP3_38	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP3_38	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP3_38	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP3_38	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_38	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP3_38	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP3_38	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_38	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP3_38	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP3_38	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_38	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP3_38	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_38	O=C(CC)OCC	C105373
FP3_38	O=C1OCC(CC)O1	C4437858
FP3_38	O=C(CBr)OCc1ccccc1	C5437456
FP3_38	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP3_38	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP3_38	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_38	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
FP3_38	O=C(OCC)c1c(C)cccc1	C87241
FP3_38	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP3_38	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_38	CC(O)COCC	C1569024
FP3_38	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP3_38	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP3_38	O=C1CCC(O1)CC	C695067
FP3_38	O=C1OC(CCCCCC)(C)CC1	C7011838
FP3_38	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP3_38	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP3_38	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP3_38	O1C=CCCC1	C110872
FP3_38	O=C(CC(C)C)OCC(C)CC	C2445774
FP3_38	O=C(C)OCC/C=C\CC	C3681718
FP3_38	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP3_38	NCCCN1CCOCC1	C123002
FP3_38	O=C(CCC)OCCCCC	C540181
FP3_38	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_38	O=C(C)OC(C)c1ccccc1	C93925
FP3_38	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_38	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP3_38	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP3_38	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP3_38	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP3_38	OCCOCC(CC)CCCC	C1559359
FP3_38	CCOC(OCC)OCC	C122510
FP3_38	O=C(CCCCCCC)OCC(O)CO	C26402266
FP3_38	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP3_38	O=C(CCC)OCCCCCCC	C5870939
FP3_38	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP3_38	CCCCCCCCCCCCN1CCOCC1	C1541817
FP3_38	OC(C)C(=O)OCCCC	C138227
FP3_38	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_38	O[C@@H](C)C(=O)OCCCC	C34451199
FP3_38	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP3_38	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP3_38	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP3_38	O=C(C)OCCCCCCCC	C112141
FP3_38	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP3_38	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP3_38	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP3_38	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
FP3_38	O=C(CCCCCCCCC=C)OCC	C692864
FP3_38	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP3_38	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP3_38	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP3_38	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_38	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP3_38	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP3_38	O=C(c1ccccc1)OCCC(C)C	C94462
FP3_38	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP3_38	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP3_38	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
FP3_38	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP3_38	OCCOCC(C)OCCO	C9003116
FP3_38	O=C1OC(CCC)CC1	C105215
FP3_38	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP3_38	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_38	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_38	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_38	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP3_38	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP3_38	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_38	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP3_38	O=C(OC)c1c(C)cccc1	C89714
FP3_38	O=C(OCC)c1ccc(C)cc1	C94086
FP3_38	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP3_38	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP3_38	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP3_38	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP3_38	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP3_38	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP3_38	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP3_38	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP3_38	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP3_38	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP3_38	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP3_38	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP3_38	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_38	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP3_38	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_38	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP3_38	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP3_38	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP3_38	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP3_38	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP3_38	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_38	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP3_38	OCCOC	C109864
FP3_38	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP3_38	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP3_38	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_38	O=C(NCCCC)OCC#CI	C55406536
FP3_38	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_38	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP3_38	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP3_38	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_38	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP3_38	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP3_38	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP3_38	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP3_38	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP3_38	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP3_38	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP3_38	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP3_38	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP3_38	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP3_38	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP3_38	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP3_38	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP3_38	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP3_38	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_38	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP3_38	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP3_38	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP3_38	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP3_38	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP3_38	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP3_38	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP3_38	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_38	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP3_38	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP3_38	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP3_38	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP3_38	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_38	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP3_38	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_38	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP3_38	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP3_38	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP3_38	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_38	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP3_38	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP3_38	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_38	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_38	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_38	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP3_38	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP3_38	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_38	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_38	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP3_38	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP3_38	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP3_38	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP3_38	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP3_38	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP3_38	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP3_38	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_38	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_38	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_38	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_38	ClCCOCCCl	C111444
FP3_38	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP3_38	O=C1CCCO1	C96480
FP3_38	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_38	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP3_38	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP3_38	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP3_38	OCCOCCO	C111466
FP3_38	CC1CC(OC(O1)C)OC(=O)C	C828002
FP3_38	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP3_38	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
FP3_38	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP3_38	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_38	O1C2C1CCC(C2)C1CO1	C106876
FP3_38	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP3_38	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
FP3_38	OCC1CO1	C556525
FP3_38	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_38	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_38	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_38	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP3_38	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_38	C1C(c2ccccc2)O1	C96093
FP3_38	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_38	OCCOCCOCCO	C112276
FP3_38	NC(=O)OCC	C51796
FP3_38	CCCCOCCOCCO	C112345
FP3_38	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP3_38	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
FP3_38	CC(=O)OCCOCC	C111159
FP3_38	CCOCCOCCO	C111900
FP3_38	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP3_38	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP3_38	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_38	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_38	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_38	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_38	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_38	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP3_38	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_38	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_38	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_38	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP3_38	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP3_38	CCOCCO	C110805
FP3_38	CCCCOCCO	C111762
FP3_38	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP3_38	OCCOCCOCCOCC	C112505
FP3_38	O(CCOC)CCOC	C111966
FP3_38	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP3_38	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_38	O(CCOC)CCO	C111773
FP3_38	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP3_38	C(CCCC(=O)OC)C(=O)OC	C627930
FP3_38	COC(=O)CCCC(=O)OC	C1119400
FP3_38	C(=O)(OC)CCC(=O)OC	C106650
FP3_38	C(CC(C)C)OC(=O)C	C123922
FP3_38	O=C(OC)c1c(N)cccc1	C134203
FP3_38	O=C(OC)c1c(O)cccc1	C119368
FP3_38	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_38	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_38	O=C(OCCOCCOCCOC(=O)C)C	C111217
FP3_38	C(OCCOC)COCCOC	C112492
FP3_38	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP3_38	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP3_38	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP3_38	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
FP3_38	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP3_38	O=C(OC)CCCCCCC	C111115
FP3_38	O=C(OC)CCCCCCCCCCC	C111820
FP3_38	OCCOCCCCCC	C112254
FP3_38	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP3_38	O=C(C)OCCCCC	C628637
FP3_38	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_38	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP3_38	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP3_38	OC(OC(O)CC)CC	C25265718
FP3_38	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP3_38	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP3_38	O=C(OCCCCCC(C)C)C=C	C29590429
FP3_38	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP3_38	OC(OCCCOC)CC	C34590948
FP3_38	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP3_38	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP3_38	O=C(OC)CC(=O)OC	C108598
FP3_38	CCC12N(COC1)COC2	C7747355
FP3_38	OCC(C)OCC(OCC(OC)C)C	C25498491
FP3_38	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_38	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP3_38	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_38	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP3_38	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP3_38	O=C1CCC(O1)CCCCCCC	C104676
FP3_38	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP3_38	O=C(OCC)CCC(=O)OCC	C123251
FP3_38	O=C(CCC)OCC	C105544
FP3_38	O=C(OCC)CCCCCC	C106309
FP3_38	O=C(OCCCC)c1ccccc1	C136607
FP3_38	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP3_38	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_38	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP3_38	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
FP3_38	O=C(CCC)OCCC(C)C	C106274
FP3_38	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP3_38	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP3_38	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_38	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP3_38	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP3_38	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP3_38	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_38	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP3_38	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP3_38	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP3_38	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_38	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP3_38	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_38	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP3_38	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_38	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP3_38	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP3_38	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_38	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP3_38	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP3_38	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_38	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_38	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_38	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
FP3_38	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP3_38	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP3_38	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_38	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP3_38	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP3_38	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP3_38	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
FP3_38	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
FP3_38	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP3_38	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP3_38	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP3_38	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP3_38	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
FP3_38	NCCOCCOCCN	C929599
FP3_38	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP3_38	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP3_38	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_38	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP3_38	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_38	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP3_38	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP3_38	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP3_38	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP3_38	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP3_38	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP3_38	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP3_38	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP3_38	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP3_38	OCCC(OC)C	C2517433
FP3_38	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP3_38	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_38	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_38	O=COCC	C109944
FP3_38	O=C(OCC)c1ccccc1	C93890
FP3_38	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_38	CC(=O)OCC	C141786
FP3_38	CC(=O)OCCCC	C123864
FP3_38	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_38	CCC1CO1	C106887
FP3_38	CC1CC(=O)O1	C3068880
FP3_38	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP3_38	O=C(/C=C\C(=O)OCC)OCC	C141059
FP3_38	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_38	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_38	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_38	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_38	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP3_38	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP3_38	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
FP3_38	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP3_38	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP3_38	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP3_38	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP3_38	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP3_38	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
FP3_38	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_38	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP3_38	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP3_38	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP3_38	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP3_38	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP3_38	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP3_38	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP3_38	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_38	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_38	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_38	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP3_38	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP3_38	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP3_38	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP3_38	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP3_38	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP3_38	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_38	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP3_38	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP3_38	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP3_38	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
FP3_38	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_38	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP3_38	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_38	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_38	O=C(OC)CCCC(=O)O	C1501275
FP3_38	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_38	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_38	O=C(OCCOC(=O)C=C)C=C	C2274115
FP3_38	O=C(OCCCCO)C=C	C2478106
FP3_38	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_38	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP3_38	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP3_38	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_38	NCCCOCCCCCCCC	C15930662
FP3_38	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_38	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP3_38	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_38	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP3_38	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP3_38	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_38	COC(OC)C(C)c1ccccc1	C90879
FP3_38	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP3_38	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP3_38	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP3_38	CC/C=C\CCOC(OCC)C	C28069741
FP3_38	NNC(=O)OCc1ccccc1	C5331431
FP3_38	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_38	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_38	O=COCc1ccc(OC)cc1	C122918
FP3_39	Nc1ccc(OC)cc1.Cl	C20265978
FP3_39	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_39	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP3_39	C=CCc1ccc(cc1)OC	C140670
FP3_39	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_39	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_39	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP3_39	COc1ccc(cc1)O	C150765
FP3_39	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP3_39	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP3_39	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_39	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_39	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_39	COc1ccc(OC)cc1	C150787
FP3_39	Nc1ccc(OCCCCCC)cc1	C39905572
FP3_39	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP3_39	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_39	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP3_39	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_39	c1cccc(OC)c1O	C90051
FP3_39	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_39	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP3_39	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_39	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_39	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP3_39	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP3_39	O(c1ccc(N)cc1)CC	C156434
FP3_39	O(C)c1cc(C=O)ccc1OC	C120149
FP3_39	c1(OCCOc2ccccc2)ccccc1	C104665
FP3_39	O=Cc1ccc(OC)cc1	C123115
FP3_39	OC(C)COc1ccccc1	C770354
FP3_39	Oc1cccc2c1OC(C)(C)C2	C1563388
FP3_39	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_39	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP3_39	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP3_39	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP3_39	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP3_39	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP3_39	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_39	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP3_39	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_39	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP3_39	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_39	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP3_39	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_39	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_39	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP3_39	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_39	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_39	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP3_39	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP3_39	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_39	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP3_39	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP3_39	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_39	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_39	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP3_39	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP3_39	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP3_39	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_39	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP3_39	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP3_39	Oc1c(OCC)cccc1	C94713
FP3_39	COc1ccc(CCC)cc1	C104450
FP3_39	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_39	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP3_39	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP3_39	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_39	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_39	Oc1ccc(OCCCCCC)cc1	C18979550
FP3_39	Nc1ccc(cc1)OCCCC	C4344552
FP3_39	O=C(Oc1ccccc1)c1ccccc1	C93992
FP3_39	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP3_39	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_39	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_39	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP3_39	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP3_39	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP3_39	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP3_39	c1ccccc1OCCO	C122996
FP3_39	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP3_39	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_39	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP3_39	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_39	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_39	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP3_39	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP3_39	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_39	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP3_39	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP3_39	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_39	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP3_39	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP3_39	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP3_39	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP3_39	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_39	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_39	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP3_39	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP3_39	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP3_39	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_39	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_39	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP3_39	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP3_39	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP3_39	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP3_39	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP3_39	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP3_39	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_39	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP3_39	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP3_39	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP3_39	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_39	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP3_39	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_39	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP3_39	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_39	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP3_39	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP3_39	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP3_39	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP3_39	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_39	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP3_39	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_39	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_39	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP3_39	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP3_39	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_39	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_39	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP3_39	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP3_39	C/C=C/c1ccc(cc1)OC	C4180238
FP3_39	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_39	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP3_39	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP3_39	Nc1cc(ccc1OC)C	C120718
FP3_39	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP3_39	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP3_39	Oc1c(cc(cc1)CC=C)OC	C97530
FP3_39	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_39	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP3_39	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP3_39	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_39	C=CCc1ccc2c(c1)OCO2	C94597
FP3_39	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_39	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_39	Oc1ccc(C=CC)cc1OC	C97541
FP3_39	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_39	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_39	Nc1c(OC)cccc1	C90040
FP3_39	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP3_39	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_39	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP3_39	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP3_39	O(C)c1cc(CC=C)ccc1OC	C93152
FP3_39	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_39	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_39	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_39	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP3_39	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP3_39	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP3_39	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP3_39	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP3_39	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP3_39	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP3_39	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_39	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP3_39	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP3_39	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP3_39	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_39	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_39	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_39	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_39	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP3_39	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP3_39	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_39	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP3_39	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_39	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP3_39	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP3_39	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_39	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_39	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_39	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_39	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP3_39	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_39	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP3_39	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_39	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP3_39	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_39	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_39	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_39	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP3_39	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP3_39	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP3_39	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_39	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP3_39	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_39	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP3_39	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_39	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP3_39	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_39	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP3_39	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP3_39	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP3_39	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_39	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_39	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP3_39	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP3_39	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP3_39	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_39	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP3_39	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_39	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_39	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_39	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_39	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP3_39	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP3_39	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP3_39	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP3_39	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP3_39	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP3_39	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP3_39	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP3_39	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP3_39	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP3_39	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP3_39	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP3_39	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP3_39	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_39	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP3_39	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP3_39	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_39	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP3_39	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP3_39	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_39	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP3_39	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP3_39	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_39	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP3_39	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_39	Nc1ccc(OC)cc1	C104949
FP3_39	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP3_39	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP3_39	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP3_39	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP3_39	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_39	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_39	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_39	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_39	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_39	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_39	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP3_39	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_39	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP3_39	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP3_39	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP3_39	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_39	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_39	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_39	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP3_39	CC1COc2ccccc2N1	C32329207
FP3_39	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP3_39	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP3_39	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP3_39	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP3_39	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP3_39	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_39	O=COCc1ccc(OC)cc1	C122918
FP3_40	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP3_40	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP3_40	c1ccccc1Oc1ccccc1	C101848
FP3_40	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_40	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_40	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_40	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP3_40	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP3_40	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP3_40	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_40	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_40	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_40	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP3_40	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_40	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_40	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_40	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP3_40	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_40	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP3_40	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP3_40	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_40	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_40	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_40	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP3_40	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_40	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP3_40	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP3_40	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP3_40	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP3_40	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_40	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP3_40	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP3_40	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_40	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP3_40	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_40	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP3_40	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_40	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP3_40	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP3_40	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP3_40	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP3_40	Brc1ccc(Oc2ccccc2)cc1	C101553
FP3_40	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_40	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP3_40	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_40	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_40	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP3_40	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_40	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP3_40	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_40	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_40	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP3_40	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP3_40	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_40	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_40	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP3_40	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_40	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_40	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_40	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP3_40	c1ccccc1Oc1ccc(O)cc1	C831823
FP3_40	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP3_40	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP3_40	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP3_40	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP3_40	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_40	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP3_40	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_40	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_40	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_41	O=C(N(CCCC)CC)SCCC	C1114712
FP3_41	CS(=O)C	C67685
FP3_41	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP3_41	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_41	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP3_41	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_41	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP3_41	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP3_41	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP3_41	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP3_41	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP3_41	OCCSCCCCCCCC	C3547339
FP3_41	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP3_41	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP3_41	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP3_41	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP3_41	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_41	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP3_41	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP3_41	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP3_41	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP3_41	CCOP(=S)(OCC)SCCSCC	C298044
FP3_41	CSC(=NOC(=O)NC)C	C16752775
FP3_41	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP3_41	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP3_41	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP3_41	CCCN(CCC)C(=O)SCC	C759944
FP3_41	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP3_41	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP3_41	O=C(SCC)N1CCCCCC1	C2212671
FP3_41	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP3_41	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP3_41	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP3_41	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP3_41	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP3_41	CN1CN(C)CSC1=S	C533744
FP3_41	C(SC#N)SC#N	C6317186
FP3_41	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP3_41	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP3_41	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_41	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP3_41	O=C(SC)c1cccc2c1snn2	C135158542
FP3_41	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP3_41	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP3_41	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP3_41	N#CSCSc1nc2ccccc2s1	C21564170
FP3_41	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_41	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP3_41	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP3_41	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP3_41	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP3_41	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP3_41	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP3_41	CC(C=NOC(=O)NC)(SC)C	C116063
FP3_41	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP3_41	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP3_41	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP3_41	N1c2c(cccc2)Sc2ccccc12	C92842
FP3_41	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_41	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
FP3_41	O=C(SCCC)N(CCC)CCC	C1929777
FP3_41	ON=CC(C)(C)SC	C1646759
FP3_41	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP3_41	S=P(OCC)(OCC)SCSCC	C298022
FP3_41	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP3_41	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP3_41	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_41	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP3_41	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP3_41	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP3_41	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP3_41	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_41	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP3_41	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP3_41	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP3_41	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP3_41	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP3_41	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP3_41	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP3_41	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP3_41	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP3_41	O=CCCSC	C3268493
FP3_41	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP3_41	S=C(N(C)C)SC(=S)N(C)C	C97745
FP3_41	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP3_41	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP3_41	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_41	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP3_41	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_41	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_41	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_41	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP3_41	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
FP3_41	N#CSCCCCCCCCCCCC	C765151
FP3_41	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP3_41	O=C(O)CCSCCC(=O)O	C111171
FP3_41	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_41	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP3_41	S=C=NCCCSC	C505793
FP3_41	O=C(O)CSCCCCCCCCCCC	C116296312
FP3_41	OC1(C)SCC(O)(C)SC1	C55704784
FP3_41	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP3_42	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP3_42	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP3_42	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP3_42	C1(CCCCC1)SSC1CCCCC1	C2550405
FP3_42	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP3_42	c1(SSc2cccs2)cccs1	C6911519
FP3_43	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP3_43	O(OC(C)(C)C)C(C)(C)C	C110054
FP3_43	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP3_43	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
FP3_44	O(O)C(c1ccccc1)(C)C	C80159
FP3_45	c1(nc[nH]n1)N	C61825
FP3_45	Nc1ccccc1.Cl	C142041
FP3_45	Nc1ccc(OC)cc1.Cl	C20265978
FP3_45	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_45	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP3_45	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
FP3_45	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_45	[nH]1c2c(cccc2)nn1	C95147
FP3_45	CC(=O)OCc1ccccc1	C140114
FP3_45	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP3_45	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP3_45	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_45	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_45	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP3_45	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP3_45	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP3_45	Clc1c(ccc(c1)N)C	C95749
FP3_45	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_45	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP3_45	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
FP3_45	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
FP3_45	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP3_45	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
FP3_45	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP3_45	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP3_45	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP3_45	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
FP3_45	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP3_45	C=CCc1ccc(cc1)OC	C140670
FP3_45	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_45	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP3_45	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP3_45	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP3_45	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_45	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP3_45	c1cccc2[nH]ccc12	C120729
FP3_45	O=C(Nc1ccccc1)OC(C)C	C122429
FP3_45	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP3_45	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_45	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP3_45	COc1ccc(cc1)O	C150765
FP3_45	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP3_45	C=Cc1ccc(cc1)C	C622979
FP3_45	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP3_45	NC(=O)c1cccnc1	C98920
FP3_45	OC(=O)c1cccnc1	C59676
FP3_45	N(c1ccc(cc1)N=O)c1ccccc1	C156105
FP3_45	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP3_45	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP3_45	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP3_45	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_45	Nc1ccc(cc1)N	C106503
FP3_45	Oc1ccc(cc1)c1ccccc1	C92693
FP3_45	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP3_45	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP3_45	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP3_45	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP3_45	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP3_45	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP3_45	Nc1ccccc1C.Cl	C636215
FP3_45	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_45	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP3_45	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_45	O=CCc1ccccc1	C122781
FP3_45	c1(O)ccccc1C(=O)N	C65452
FP3_45	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP3_45	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP3_45	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP3_45	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP3_45	Oc1c([N+](=O)[O-])cccc1	C88755
FP3_45	O=Cc1ccccc1O	C90028
FP3_45	Oc1cccc2ccccc12	C90153
FP3_45	c1cc(N)ccc1C(=O)OCC	C94097
FP3_45	Nc1cc(Cl)c(Cl)cc1	C95761
FP3_45	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP3_45	c1ccccc1Oc1ccccc1	C101848
FP3_45	Nc1ccc(CCCC)cc1	C104132
FP3_45	Oc1ccc(Cl)cc1	C106489
FP3_45	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_45	Oc1c(Br)cc(Br)cc1Br	C118796
FP3_45	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_45	Oc1ccc(CC)cc1	C123079
FP3_45	COc1ccc(OC)cc1	C150787
FP3_45	n1c(C(=O)O)cccc1C(=O)O	C499832
FP3_45	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP3_45	Oc1ccc(CCC)cc1	C645567
FP3_45	Nc1ccc(OCCCCCC)cc1	C39905572
FP3_45	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP3_45	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP3_45	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
FP3_45	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
FP3_45	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP3_45	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP3_45	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP3_45	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP3_45	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP3_45	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_45	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP3_45	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP3_45	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP3_45	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP3_45	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP3_45	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_45	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP3_45	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP3_45	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP3_45	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP3_45	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP3_45	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP3_45	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP3_45	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP3_45	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP3_45	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP3_45	c1(c(CC)cccc1)O	C90006
FP3_45	c1c(O)cccc1CC	C620177
FP3_45	C(=O)(/C=C/c1ccccc1)O	C140103
FP3_45	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP3_45	c1(c(ccc(c1)Cl)O)C	C1570645
FP3_45	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_45	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_45	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_45	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_45	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP3_45	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP3_45	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP3_45	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_45	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_45	c1cccc(OC)c1O	C90051
FP3_45	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP3_45	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP3_45	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_45	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP3_45	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_45	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP3_45	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP3_45	c12cc3ccc4ccccc4c3cc1cccc2	C56553
FP3_45	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP3_45	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP3_45	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
FP3_45	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_45	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP3_45	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP3_45	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_45	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_45	Cc1cc(O)ccc1	C108394
FP3_45	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP3_45	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP3_45	c1ccc2ncsc2c1	C95169
FP3_45	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_45	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP3_45	c1(ccc(cc1)C)C(C)(C)C	C98511
FP3_45	C(F)(F)(F)c1ccc(Cl)cc1	C98566
FP3_45	O=C/C=C/c1ccccc1	C14371109
FP3_45	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP3_45	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP3_45	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP3_45	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP3_45	Oc1cc(Cl)ccc1Cl	C583788
FP3_45	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP3_45	N(C)(C)c1cccc(O)c1	C99070
FP3_45	c1ccc2c(c1)c(c(cc2)C)C	C28804888
FP3_45	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP3_45	Cc1c(C)cccc1O	C526750
FP3_45	Cc1cc(C)cc(O)c1	C108689
FP3_45	C=Cc1ccccc1C=C	C1321740
FP3_45	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP3_45	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP3_45	O=C(OCC)c1c(N)cccc1	C87252
FP3_45	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP3_45	c1c(CO)occ1	C98000
FP3_45	O=C(OCCCCCC)c1ccccc1	C6789884
FP3_45	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP3_45	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP3_45	O=C(C)C=Cc1ccccc1	C122576
FP3_45	[N+](=O)([O-])c1ccccc1N	C88744
FP3_45	c12ncccc1ccc1c2nccc1	C66717
FP3_45	O(c1ccc(N)cc1)CC	C156434
FP3_45	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP3_45	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
FP3_45	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP3_45	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP3_45	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP3_45	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP3_45	c12ccccc1CCCC2	C119642
FP3_45	Cc1cccc2nn[nH]c12	C29385431
FP3_45	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_45	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_45	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
FP3_45	O(C)c1cc(C=O)ccc1OC	C120149
FP3_45	Cc1cccc(C)c1	C108383
FP3_45	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP3_45	OCCc1ccccc1	C60128
FP3_45	O=C(O)c1ccccc1O	C69727
FP3_45	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP3_45	O=C1c2c(cccc2)C(=O)N1	C85416
FP3_45	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP3_45	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
FP3_45	O=C(O)c1ccc(O)cc1	C99967
FP3_45	c1(OCCOc2ccccc2)ccccc1	C104665
FP3_45	Clc1nc(Cl)nc(Cl)n1	C108770
FP3_45	Sc1ccccc1	C108985
FP3_45	O=Cc1ccc(OC)cc1	C123115
FP3_45	Oc1ccc2ccccc2c1	C135193
FP3_45	[O-]c1ccccc1.[Na+]	C139026
FP3_45	Clc1ccc(C(F)(F)F)cc1Cl	C328847
FP3_45	Brc1ccc(F)cc1	C460004
FP3_45	O=C1c2c(cccc2)C(=O)N1C	C550447
FP3_45	ClP(c1ccccc1)Cl	C644973
FP3_45	OC(C)COc1ccccc1	C770354
FP3_45	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
FP3_45	Nc1cccc(C)c1C	C1300738
FP3_45	O=S(=O)(c1ccccc1O)O	C1333397
FP3_45	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP3_45	Oc1cccc2c1OC(C)(C)C2	C1563388
FP3_45	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP3_45	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_45	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP3_45	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_45	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
FP3_45	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_45	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP3_45	Nc1c(C)cccc1CC	C24549062
FP3_45	Clc1cccc(C)c1	C25168052
FP3_45	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP3_45	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP3_45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP3_45	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP3_45	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP3_45	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP3_45	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP3_45	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP3_45	O=S(=O)(c1ccc(C)cc1)N	C70553
FP3_45	Cc1cc(C)c(C)cc1C	C95932
FP3_45	O=C(c1ccc(O)cc1)C	C99934
FP3_45	O=C(OCc1ccccc1)c1ccccc1	C120514
FP3_45	CCCCCC(=Cc1ccccc1)C=O	C122407
FP3_45	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
FP3_45	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP3_45	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP3_45	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP3_45	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP3_45	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP3_45	n1c[nH]cc1	C288324
FP3_45	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP3_45	Nc1cc(Cl)cc(Cl)c1	C626437
FP3_45	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP3_45	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP3_45	Oc1cc(C)c(Cl)c(C)c1	C88040
FP3_45	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP3_45	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP3_45	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP3_45	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP3_45	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP3_45	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP3_45	OCn1nc(C)cc1C	C85264331
FP3_45	Clc1c(Cl)ssc1=O	C1192525
FP3_45	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP3_45	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP3_45	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP3_45	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP3_45	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP3_45	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP3_45	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP3_45	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP3_45	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP3_45	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP3_45	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP3_45	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_45	CCCCCCCCCc1ccc(O)cc1	C104405
FP3_45	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP3_45	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP3_45	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_45	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP3_45	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_45	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_45	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP3_45	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP3_45	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP3_45	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP3_45	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP3_45	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_45	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_45	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP3_45	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP3_45	O=C(CBr)c1ccc(O)cc1	C2491385
FP3_45	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP3_45	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_45	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP3_45	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_45	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_45	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_45	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP3_45	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP3_45	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP3_45	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP3_45	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP3_45	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
FP3_45	Cc1ccc(C)c2c1cccc2	C571584
FP3_45	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP3_45	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_45	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP3_45	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_45	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP3_45	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP3_45	O=C(N(C)C)Nc1ccccc1	C101428
FP3_45	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP3_45	Oc1ccc(CCCCCCC)cc1	C1987504
FP3_45	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP3_45	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP3_45	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_45	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP3_45	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP3_45	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP3_45	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP3_45	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP3_45	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP3_45	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_45	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP3_45	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_45	O=C(c1ccccc1O)C	C118934
FP3_45	O=C(CBr)OCc1ccccc1	C5437456
FP3_45	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_45	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP3_45	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP3_45	CO[Si](OC)(OC)c1ccccc1	C2996921
FP3_45	Nc1ccc(CCCCC)cc1	C33228443
FP3_45	Nc1ccc(CCCCCC)cc1	C33228454
FP3_45	O=C(OCC)c1c(C)cccc1	C87241
FP3_45	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP3_45	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP3_45	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP3_45	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP3_45	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP3_45	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP3_45	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP3_45	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
FP3_45	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP3_45	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP3_45	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP3_45	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP3_45	O=C1C=CC(=O)N1c1ccccc1	C941695
FP3_45	Oc1ccccc1CN(C)C	C120650
FP3_45	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP3_45	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP3_45	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP3_45	O=C(C)c1cc2ccccc2cc1	C93083
FP3_45	O=C(Nc1ccccc1)CCl	C587655
FP3_45	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP3_45	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP3_45	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP3_45	OCC=Cc1ccccc1	C104541
FP3_45	CCC(c1ccccc1)CCC	C4468422
FP3_45	O=C(N)Nc1ccc(Cl)cc1	C140385
FP3_45	O=c1ccoc(CC)c1O	C4940118
FP3_45	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP3_45	O=C(C)OC(C)c1ccccc1	C93925
FP3_45	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP3_45	O=S(=O)(c1cc(C)ccc1C)O	C609541
FP3_45	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP3_45	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP3_45	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_45	N#Cc1c(O)cccc1	C611201
FP3_45	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP3_45	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP3_45	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP3_45	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP3_45	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP3_45	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_45	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP3_45	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP3_45	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_45	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP3_45	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP3_45	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP3_45	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP3_45	c1(Cc2ccccc2)ccccc1	C101815
FP3_45	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP3_45	c12ccccc1CC=C2	C95136
FP3_45	Oc1cc(C(C)C)ccc1C	C499752
FP3_45	c1([Hg]c2ccccc2)ccccc1	C587859
FP3_45	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP3_45	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_45	CC(C)N(C(C)C)c1ccccc1	C4107986
FP3_45	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP3_45	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP3_45	Oc1c(OCC)cccc1	C94713
FP3_45	Oc1ccc(C(C)C)cc1	C99898
FP3_45	COc1ccc(CCC)cc1	C104450
FP3_45	c1(CCCc2ccccc2)ccccn1	C2110181
FP3_45	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_45	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP3_45	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP3_45	OC(CO)c1ccccc1	C93561
FP3_45	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP3_45	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_45	O=C(N)Nc1ccccc1	C64108
FP3_45	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_45	Oc1c(C(C)C)cccc1	C88697
FP3_45	O=C(c1ccccc1)Cc1ccccc1	C451401
FP3_45	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP3_45	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP3_45	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP3_45	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP3_45	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP3_45	Oc1cc(C(C)C)ccc1	C618451
FP3_45	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP3_45	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_45	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP3_45	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP3_45	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP3_45	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
FP3_45	Oc1cc(C(C)(C)C)ccc1	C585342
FP3_45	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP3_45	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP3_45	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP3_45	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_45	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP3_45	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP3_45	O=C(c1ccccc1)OCCC(C)C	C94462
FP3_45	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP3_45	Oc1ccc(CCCC)cc1	C1638228
FP3_45	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP3_45	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP3_45	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP3_45	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP3_45	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP3_45	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP3_45	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_45	c12ccccc1c1c(cccc1)s2	C132650
FP3_45	O=C(c1ccccc1)c1ccccc1O	C117997
FP3_45	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_45	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_45	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP3_45	Nc1ccc(CCC)cc1	C2696846
FP3_45	Nc1ccc(C(C)(C)C)cc1	C769926
FP3_45	O=C(C1CCCCC1)c1ccccc1	C712505
FP3_45	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_45	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP3_45	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_45	Sc1ccc(C)cc1	C106456
FP3_45	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_45	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP3_45	Clc1ccc(CCCC)cc1	C15499271
FP3_45	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
FP3_45	O=C(CCCCCC)c1ccccc1	C1671756
FP3_45	Oc1ccc(OCCCCCC)cc1	C18979550
FP3_45	Sc1ccc(C(C)(C)C)cc1	C2396681
FP3_45	Nc1ccc(cc1)OCCCC	C4344552
FP3_45	O=C(O)c1c(C)cc(C)cc1C	C480637
FP3_45	O=C(c1ccccc1)C1CCC1	C5407987
FP3_45	O=C(c1ccccc1)C(C)C	C611701
FP3_45	O=C(c1ccc(Cl)cc1)CC	C6285058
FP3_45	Clc1ccc(CCCCC)cc1	C79098207
FP3_45	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP3_45	O=C(OC)c1c(C)cccc1	C89714
FP3_45	O=C(c1ccccc1)C(C)(C)C	C938169
FP3_45	O=C(Oc1ccccc1)c1ccccc1	C93992
FP3_45	O=C(OCC)c1ccc(C)cc1	C94086
FP3_45	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_45	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP3_45	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP3_45	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP3_45	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP3_45	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP3_45	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP3_45	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP3_45	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP3_45	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP3_45	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP3_45	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_45	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_45	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP3_45	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_45	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP3_45	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP3_45	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP3_45	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP3_45	O=c1ccc(=O)[nH][nH]1	C123331
FP3_45	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP3_45	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP3_45	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP3_45	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP3_45	Oc1c(cccc1)c1ccccc1	C90437
FP3_45	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP3_45	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP3_45	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP3_45	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP3_45	Clc1nc(nc(n1)NCC)NCC	C122349
FP3_45	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP3_45	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP3_45	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP3_45	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
FP3_45	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP3_45	c1ccccc1Nc1ccccc1	C122394
FP3_45	c1ccccc1OCCO	C122996
FP3_45	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP3_45	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP3_45	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP3_45	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP3_45	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP3_45	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP3_45	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP3_45	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP3_45	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP3_45	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP3_45	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP3_45	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_45	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP3_45	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP3_45	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP3_45	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP3_45	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_45	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP3_45	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP3_45	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP3_45	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP3_45	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP3_45	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP3_45	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP3_45	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP3_45	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP3_45	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP3_45	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_45	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_45	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP3_45	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP3_45	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP3_45	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP3_45	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP3_45	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP3_45	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP3_45	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP3_45	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_45	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP3_45	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_45	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP3_45	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP3_45	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP3_45	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP3_45	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP3_45	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP3_45	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP3_45	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_45	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP3_45	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP3_45	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP3_45	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP3_45	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP3_45	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP3_45	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP3_45	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP3_45	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP3_45	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP3_45	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP3_45	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP3_45	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP3_45	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP3_45	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP3_45	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP3_45	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_45	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP3_45	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP3_45	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP3_45	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP3_45	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP3_45	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP3_45	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP3_45	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_45	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP3_45	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP3_45	N#Cc1c(Cl)cccc1Cl	C1194656
FP3_45	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP3_45	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP3_45	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP3_45	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP3_45	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_45	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_45	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP3_45	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP3_45	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP3_45	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_45	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP3_45	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP3_45	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP3_45	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP3_45	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_45	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_45	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP3_45	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP3_45	O=C(SC)c1cccc2c1snn2	C135158542
FP3_45	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP3_45	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP3_45	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP3_45	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP3_45	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP3_45	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP3_45	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP3_45	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP3_45	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP3_45	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP3_45	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP3_45	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP3_45	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP3_45	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP3_45	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP3_45	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP3_45	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP3_45	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP3_45	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP3_45	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP3_45	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_45	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_45	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP3_45	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP3_45	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP3_45	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP3_45	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP3_45	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP3_45	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP3_45	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP3_45	N#CSCSc1nc2ccccc2s1	C21564170
FP3_45	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP3_45	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_45	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP3_45	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_45	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP3_45	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP3_45	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP3_45	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_45	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP3_45	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP3_45	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP3_45	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP3_45	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP3_45	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP3_45	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP3_45	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP3_45	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP3_45	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP3_45	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP3_45	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_45	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP3_45	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP3_45	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_45	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP3_45	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP3_45	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP3_45	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP3_45	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP3_45	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_45	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP3_45	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP3_45	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_45	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP3_45	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_45	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_45	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP3_45	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_45	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP3_45	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP3_45	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP3_45	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP3_45	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP3_45	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_45	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_45	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP3_45	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP3_45	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP3_45	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP3_45	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP3_45	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP3_45	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP3_45	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP3_45	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP3_45	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP3_45	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP3_45	Clc1nc(NCC)nc(N)n1	C1007289
FP3_45	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP3_45	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP3_45	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_45	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_45	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP3_45	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_45	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP3_45	c1(ccc(cc1)O)NC(=O)C	C103902
FP3_45	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP3_45	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP3_45	C/C=C/c1ccc(cc1)OC	C4180238
FP3_45	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_45	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP3_45	c1(N=Nc2ccccc2)ccccc1	C103333
FP3_45	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_45	Nc1ccc(c2ccc(N)cc2)cc1	C92875
FP3_45	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP3_45	c1coc2c1cccc2	C271896
FP3_45	OC(=O)c1ccccc1	C65850
FP3_45	ClC(c1ccccc1)(Cl)Cl	C98077
FP3_45	OCc1ccccc1	C100516
FP3_45	c1c(cccc1)c1ccccc1	C92524
FP3_45	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP3_45	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP3_45	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP3_45	CC(C)(C)c1cc(O)ccc1O	C1948330
FP3_45	C(c1ccc(O)cc1)(C)(C)C	C98544
FP3_45	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP3_45	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP3_45	Oc1c(cccc1)O	C120809
FP3_45	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP3_45	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP3_45	Nc1c(ccc(c1)Cl)N	C95830
FP3_45	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP3_45	O=C(c1ccccc1)CCl	C532274
FP3_45	Nc1ccc(cc1)Cl	C106478
FP3_45	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_45	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP3_45	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP3_45	O=c1oc2c(cccc2)cc1	C91645
FP3_45	Nc1cc(ccc1OC)C	C120718
FP3_45	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP3_45	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
FP3_45	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
FP3_45	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP3_45	Nc1c(ccc(c1)N)C	C95807
FP3_45	Clc1c(cccc1)Cl	C95501
FP3_45	Clc1ccc(cc1)Cl	C106467
FP3_45	Clc1c(ccc(c1)Cl)O	C120832
FP3_45	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP3_45	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP3_45	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP3_45	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP3_45	CN(c1ccccc1)C	C121697
FP3_45	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
FP3_45	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP3_45	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP3_45	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP3_45	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
FP3_45	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP3_45	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP3_45	Oc1c(cc(cc1)CC=C)OC	C97530
FP3_45	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_45	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP3_45	O=Cc1ccco1	C98011
FP3_45	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP3_45	Oc1c(ccc(c1)O)CCCCCC	C136776
FP3_45	N(c1ccccc1)Nc1ccccc1	C122667
FP3_45	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP3_45	Oc1ccc(cc1)O	C123319
FP3_45	Oc1cccc2cccnc12	C148243
FP3_45	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_45	O=C(c1ccncc1)NN	C54853
FP3_45	Sc1nc2c(cccc2)s1	C149304
FP3_45	[nH]1c(=S)n(cc1)C	C60560
FP3_45	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP3_45	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_45	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP3_45	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
FP3_45	Cc1c2c(ccc1)cccc2	C90120
FP3_45	Cc1cc2cccnc2cc1	C91623
FP3_45	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP3_45	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP3_45	c1c2c(ccc1)cccc2	C91203
FP3_45	Nc1c2c(ccc1)c(ccc2)N	C2243621
FP3_45	Nc1cc2c(cccc2)cc1	C91598
FP3_45	CN1CCC[C@H]1c1cnccc1	C54115
FP3_45	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP3_45	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP3_45	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP3_45	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP3_45	O=[N+](c1ccccc1)[O-]	C98953
FP3_45	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_45	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP3_45	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP3_45	O=NN(c1ccccc1)c1ccccc1	C86306
FP3_45	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP3_45	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_45	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP3_45	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP3_45	Oc1ccccc1	C108952
FP3_45	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_45	N1c2c(cccc2)Sc2ccccc12	C92842
FP3_45	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP3_45	Nc1cc(ccc1)N	C108452
FP3_45	CC(=O)O[Hg]c1ccccc1	C62384
FP3_45	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_45	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP3_45	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP3_45	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP3_45	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP3_45	Oc1cc(ccc1)O	C108463
FP3_45	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_45	C=CCc1ccc2c(c1)OCO2	C94597
FP3_45	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP3_45	C1C(c2ccccc2)O1	C96093
FP3_45	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_45	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP3_45	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP3_45	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP3_45	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP3_45	Cc1c(ccc(c1)C)C	C95636
FP3_45	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP3_45	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP3_45	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP3_45	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP3_45	Oc1ccccc1Cl	C95578
FP3_45	Oc1cc(C)c(Cl)cc1	C59507
FP3_45	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP3_45	c1ccc2cccc3c2c1CC3	C83329
FP3_45	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP3_45	n1cccc2c1cccc2	C91225
FP3_45	CCN(CC)c1ccccc1	C91667
FP3_45	Oc1c(C)cccc1	C95487
FP3_45	c1ccccc1C(=O)C	C98862
FP3_45	Cc1cc([N+](=O)[O-])ccc1	C99081
FP3_45	CN(C)c1ccc(C)cc1	C99978
FP3_45	Oc1ccc([N+](=O)[O-])cc1	C100027
FP3_45	CCNc1cc(C)ccc1	C102272
FP3_45	Oc1c(C)cc(C)cc1	C105679
FP3_45	Oc1ccc(C)cc1	C106445
FP3_45	Nc1ccc(C)cc1	C106490
FP3_45	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP3_45	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP3_45	c1ccccc1C(=O)c1ccccc1	C119619
FP3_45	Clc1c(Cl)cc(Cl)cc1	C120821
FP3_45	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_45	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP3_45	c1cccc2c3ccccc3oc12	C132649
FP3_45	Oc1c(C)cc(C)cc1C	C527606
FP3_45	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP3_45	Clc1cc(Cl)ccc1	C541731
FP3_45	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP3_45	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP3_45	Oc1c(C)c(C)ccc1C	C2416946
FP3_45	Oc1ccc(CCCCCCCC)cc1	C1806264
FP3_45	c1(c(O)cccc1)C(CC)C	C89725
FP3_45	c1(ccc(cc1)O)C(CC)C	C99718
FP3_45	Oc1ccc(C=CC)cc1OC	C97541
FP3_45	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
FP3_45	c1(CCCC)ccccc1	C104518
FP3_45	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP3_45	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP3_45	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP3_45	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_45	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_45	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP3_45	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP3_45	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP3_45	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_45	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_45	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_45	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP3_45	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_45	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP3_45	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_45	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP3_45	O=N(=O)c1ccc(C)cc1	C99990
FP3_45	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_45	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_45	c1cc2cccc3C=Cc(c1)c23	C208968
FP3_45	Nc1c(OC)cccc1	C90040
FP3_45	c1ccc2cc3ccccc3cc2c1	C120127
FP3_45	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
FP3_45	Brc1ccc(Oc2ccccc2)cc1	C101553
FP3_45	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP3_45	Cc1ccccc1Cl	C95498
FP3_45	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP3_45	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
FP3_45	Oc1cc(C)c(C)cc1	C95658
FP3_45	Oc1c(cccc1C)C	C576261
FP3_45	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP3_45	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP3_45	c1cccc2c1c1cccc3cccc2c13	C206440
FP3_45	c1cccc2Cc3ccccc3c12	C86737
FP3_45	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP3_45	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_45	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP3_45	c1cc2c(cc1)c1c(cccc1)cc2	C85018
FP3_45	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP3_45	c12cccc3c1c1c(cccc1cc3)cc2	C129000
FP3_45	Clc1cc(Cl)c(Cl)cc1Cl	C95943
FP3_45	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP3_45	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_45	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP3_45	O=C(O)c1ccc(N)cc1	C150130
FP3_45	Oc1c(ccc(N)c1)C	C2835952
FP3_45	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP3_45	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP3_45	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP3_45	Cc1ccc(Cl)cc1	C106434
FP3_45	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP3_45	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP3_45	O(O)C(c1ccccc1)(C)C	C80159
FP3_45	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_45	Nc1cc(C)ccc1N	C496720
FP3_45	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP3_45	c1(ccccc1)C(Cl)Cl	C98873
FP3_45	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP3_45	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP3_45	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP3_45	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP3_45	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP3_45	Oc1c(ccc(C)c1)C	C95874
FP3_45	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP3_45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP3_45	N(c1ccccc1)CC	C103695
FP3_45	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_45	o1c(C)c(O)c(=O)cc1	C118718
FP3_45	O=C(OC)c1c(N)cccc1	C134203
FP3_45	O(C)c1cc(CC=C)ccc1OC	C93152
FP3_45	O=C(OC)c1c(O)cccc1	C119368
FP3_45	[N+](=O)([O-])c1ccccc1C	C88722
FP3_45	O=c1ccsn1CCCCCCCC	C26530201
FP3_45	Nc1c(N)cccc1	C95545
FP3_45	N(c1ccccc1)c1ccc(N)cc1	C101542
FP3_45	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_45	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP3_45	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP3_45	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP3_45	Nc1c(cccc1)C	C95534
FP3_45	Clc1c(Cl)cccc1Cl	C87616
FP3_45	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP3_45	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
FP3_45	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP3_45	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP3_45	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP3_45	Nc1c(cccc1C)C	C87627
FP3_45	Oc1c(C(C)(C)C)cccc1	C88186
FP3_45	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP3_45	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP3_45	CC(C)c1cccc(C(C)C)c1	C99627
FP3_45	CC(C)c1ccc(C)cc1	C99876
FP3_45	N#Cc1cnccc1	C100549
FP3_45	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP3_45	Nc1cccc(C)c1	C108441
FP3_45	Cc1cc(C)cc(C)c1	C108678
FP3_45	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP3_45	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP3_45	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP3_45	[nH]1ncnc1	C288880
FP3_45	c1(c2ccncc2)ccncc1	C553264
FP3_45	Nc1c(CC)cccc1CC	C579668
FP3_45	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP3_45	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP3_45	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_45	Nc1cccc(C)c1N	C2687254
FP3_45	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP3_45	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
FP3_45	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP3_45	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP3_45	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP3_45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP3_45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP3_45	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP3_45	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP3_45	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP3_45	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP3_45	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_45	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP3_45	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP3_45	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP3_45	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_45	O=Cc1ccccc1C=O	C643798
FP3_45	O=c1[nH]sc2c1cccc2	C2634335
FP3_45	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP3_45	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP3_45	Nn1cnnc1	C584134
FP3_45	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_45	O=c1n(C)sc(Cl)c1	C26172554
FP3_45	Oc1cc(C)ccc1C(C)C	C89838
FP3_45	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP3_45	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP3_45	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP3_45	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP3_45	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP3_45	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_45	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP3_45	O=C(OCCCC)c1ccccc1	C136607
FP3_45	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_45	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP3_45	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP3_45	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP3_45	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP3_45	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP3_45	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP3_45	CCCc1ccccc1	C103651
FP3_45	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP3_45	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_45	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP3_45	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP3_45	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP3_45	CC(C)(C)c1ccccc1	C98066
FP3_45	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP3_45	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP3_45	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_45	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP3_45	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP3_45	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP3_45	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP3_45	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_45	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP3_45	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP3_45	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP3_45	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP3_45	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_45	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_45	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_45	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP3_45	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP3_45	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_45	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP3_45	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP3_45	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP3_45	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_45	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP3_45	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP3_45	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_45	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP3_45	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP3_45	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_45	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_45	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP3_45	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP3_45	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP3_45	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_45	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP3_45	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP3_45	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP3_45	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP3_45	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP3_45	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP3_45	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP3_45	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP3_45	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP3_45	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_45	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP3_45	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_45	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP3_45	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP3_45	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_45	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_45	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_45	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_45	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP3_45	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_45	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP3_45	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP3_45	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP3_45	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_45	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_45	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP3_45	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_45	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP3_45	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP3_45	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_45	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP3_45	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP3_45	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_45	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_45	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_45	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP3_45	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP3_45	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_45	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_45	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP3_45	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP3_45	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP3_45	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP3_45	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP3_45	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP3_45	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP3_45	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP3_45	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP3_45	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP3_45	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP3_45	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP3_45	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP3_45	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP3_45	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_45	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP3_45	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_45	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP3_45	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_45	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP3_45	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP3_45	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP3_45	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP3_45	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_45	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP3_45	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP3_45	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP3_45	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP3_45	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP3_45	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP3_45	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP3_45	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP3_45	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP3_45	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_45	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_45	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_45	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP3_45	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
FP3_45	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP3_45	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP3_45	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP3_45	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP3_45	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP3_45	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP3_45	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP3_45	Oc1cc2c(cccc2)c2ccccc12	C484173
FP3_45	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP3_45	CCCCCCCCCCCCc1ccccc1	C123013
FP3_45	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP3_45	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP3_45	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP3_45	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP3_45	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP3_45	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_45	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP3_45	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_45	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_45	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP3_45	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP3_45	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP3_45	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP3_45	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP3_45	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP3_45	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP3_45	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP3_45	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_45	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_45	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_45	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_45	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP3_45	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP3_45	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_45	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP3_45	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP3_45	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP3_45	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP3_45	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP3_45	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP3_45	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP3_45	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP3_45	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP3_45	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP3_45	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP3_45	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP3_45	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP3_45	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP3_45	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP3_45	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP3_45	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_45	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_45	O=C(OCC)c1ccccc1	C93890
FP3_45	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP3_45	NCc1cccc(CN)c1	C1477550
FP3_45	n1cc(C)ccc1	C108996
FP3_45	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP3_45	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP3_45	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP3_45	O=[N+](c1cnc(s1)N)[O-]	C121664
FP3_45	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP3_45	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP3_45	Clc1ccc(N)cc1.Cl	C20265967
FP3_45	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
FP3_45	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
FP3_45	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_45	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP3_45	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP3_45	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP3_45	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP3_45	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP3_45	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP3_45	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_45	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP3_45	NNc1ccccc1.Cl	C59881
FP3_45	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP3_45	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP3_45	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
FP3_45	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP3_45	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP3_45	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP3_45	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_45	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP3_45	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP3_45	N#Cc1ccccc1	C100470
FP3_45	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP3_45	CC(c1ccc(CO)cc1)C	C536607
FP3_45	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP3_45	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP3_45	CN(C)c1ccc(C=O)cc1	C100107
FP3_45	Nc1ccc(Br)cc1	C106401
FP3_45	c1ccccc1Oc1ccc(O)cc1	C831823
FP3_45	c1c(I)c(O)c(I)cc1C#N	C1689834
FP3_45	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP3_45	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP3_45	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP3_45	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_45	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_45	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_45	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP3_45	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_45	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP3_45	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP3_45	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP3_45	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP3_45	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP3_45	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP3_45	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_45	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_45	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP3_45	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP3_45	Nc1ccc2cc3ccccc3cc2c1	C613138
FP3_45	Nc1ccc(OC)cc1	C104949
FP3_45	c12ccccc1ccc1c2cccn1	C85029
FP3_45	Brc1ccccc1c1ccccc1	C2052075
FP3_45	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP3_45	C(=O)(O)c1ccc(Cl)cc1	C74113
FP3_45	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP3_45	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP3_45	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP3_45	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP3_45	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP3_45	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP3_45	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_45	CCCCCc1cc(O)cc(O)c1	C500663
FP3_45	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP3_45	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP3_45	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP3_45	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP3_45	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP3_45	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_45	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP3_45	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP3_45	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP3_45	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP3_45	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
FP3_45	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_45	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP3_45	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP3_45	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
FP3_45	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP3_45	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP3_45	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP3_45	OCc1c[nH]c2c1cccc2	C700061
FP3_45	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP3_45	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP3_45	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_45	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP3_45	O=c1cc(C)o[nH]1	C10004441
FP3_45	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
FP3_45	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
FP3_45	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP3_45	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP3_45	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP3_45	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP3_45	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP3_45	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP3_45	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP3_45	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP3_45	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP3_45	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP3_45	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP3_45	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_45	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP3_45	Oc1ccc(cc1)Nc1ccccc1	C122372
FP3_45	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP3_45	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_45	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_45	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_45	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP3_45	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_45	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_45	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP3_45	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP3_45	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_45	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP3_45	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_45	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP3_45	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP3_45	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
FP3_45	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_45	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_45	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP3_45	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP3_45	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP3_45	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP3_45	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP3_45	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP3_45	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP3_45	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP3_45	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP3_45	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP3_45	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP3_45	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP3_45	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP3_45	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP3_45	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP3_45	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP3_45	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP3_45	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP3_45	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP3_45	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP3_45	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP3_45	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP3_45	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP3_45	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_45	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP3_45	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP3_45	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP3_45	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP3_45	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP3_45	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP3_45	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP3_45	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_45	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP3_45	Cl[Hg]c1ccccc1	C100561
FP3_45	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP3_45	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP3_45	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP3_45	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP3_45	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_45	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP3_45	O=[As]c1ccccc1	C637036
FP3_45	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_45	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP3_45	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP3_45	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP3_45	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP3_45	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP3_45	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP3_45	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
FP3_45	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
FP3_45	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP3_45	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP3_45	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_45	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP3_45	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP3_45	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP3_45	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_45	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP3_45	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_45	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP3_45	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP3_45	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_45	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_45	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP3_45	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_45	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_45	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP3_45	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_45	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP3_45	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP3_45	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP3_45	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP3_45	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP3_45	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_45	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_45	Nc1cccc(C)n1	C1824813
FP3_45	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP3_45	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP3_45	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_45	CC1COc2ccccc2N1	C32329207
FP3_45	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP3_45	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_45	O=C([O-])c1cnccc1.[Na+]	C54864
FP3_45	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP3_45	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP3_45	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP3_45	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP3_45	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP3_45	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
FP3_45	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_45	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP3_45	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP3_45	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP3_45	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_45	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP3_45	COC(OC)C(C)c1ccccc1	C90879
FP3_45	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP3_45	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP3_45	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP3_45	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP3_45	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP3_45	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP3_45	NNC(=O)OCc1ccccc1	C5331431
FP3_45	c1(SSc2cccs2)cccs1	C6911519
FP3_45	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP3_45	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_45	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_45	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_45	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP3_45	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP3_45	O=COCc1ccc(OC)cc1	C122918
FP3_45	CCCCCc1ccco1	C3777693
FP3_45	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP3_49	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP3_49	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP3_49	c1(nc[nH]n1)N	C61825
FP3_49	Nc1ccccc1.Cl	C142041
FP3_49	Nc1ccc(OC)cc1.Cl	C20265978
FP3_49	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP3_49	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP3_49	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP3_49	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
FP3_49	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP3_49	[nH]1c2c(cccc2)nn1	C95147
FP3_49	CC(=O)OCc1ccccc1	C140114
FP3_49	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP3_49	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP3_49	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP3_49	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP3_49	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP3_49	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP3_49	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP3_49	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP3_49	Clc1c(ccc(c1)N)C	C95749
FP3_49	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP3_49	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP3_49	O=C1CCCCC1	C108941
FP3_49	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP3_49	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
FP3_49	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
FP3_49	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP3_49	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP3_49	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
FP3_49	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP3_49	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP3_49	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP3_49	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
FP3_49	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP3_49	C=CCc1ccc(cc1)OC	C140670
FP3_49	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP3_49	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP3_49	CC1(C)OC2(C)CCC1CC2	C470826
FP3_49	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP3_49	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP3_49	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP3_49	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP3_49	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP3_49	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP3_49	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
FP3_49	c1cccc2[nH]ccc12	C120729
FP3_49	O=C(Nc1ccccc1)OC(C)C	C122429
FP3_49	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP3_49	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
FP3_49	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP3_49	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP3_49	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP3_49	COc1ccc(cc1)O	C150765
FP3_49	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP3_49	C=Cc1ccc(cc1)C	C622979
FP3_49	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP3_49	NC(=O)c1cccnc1	C98920
FP3_49	OC(=O)c1cccnc1	C59676
FP3_49	N(c1ccc(cc1)N=O)c1ccccc1	C156105
FP3_49	O=NN1CCCC1	C930552
FP3_49	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP3_49	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP3_49	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP3_49	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP3_49	Nc1ccc(cc1)N	C106503
FP3_49	Oc1ccc(cc1)c1ccccc1	C92693
FP3_49	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP3_49	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP3_49	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP3_49	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP3_49	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP3_49	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP3_49	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP3_49	Nc1ccccc1C.Cl	C636215
FP3_49	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP3_49	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP3_49	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP3_49	O=CCc1ccccc1	C122781
FP3_49	c1(O)ccccc1C(=O)N	C65452
FP3_49	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP3_49	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP3_49	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP3_49	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP3_49	Oc1c([N+](=O)[O-])cccc1	C88755
FP3_49	O=Cc1ccccc1O	C90028
FP3_49	Oc1cccc2ccccc12	C90153
FP3_49	c1cc(N)ccc1C(=O)OCC	C94097
FP3_49	Nc1cc(Cl)c(Cl)cc1	C95761
FP3_49	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP3_49	ON=C1CCCCC1	C100641
FP3_49	c1ccccc1Oc1ccccc1	C101848
FP3_49	OCCN1CCNCC1	C103764
FP3_49	Nc1ccc(CCCC)cc1	C104132
FP3_49	Oc1ccc(Cl)cc1	C106489
FP3_49	C1CCCCC1O	C108930
FP3_49	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP3_49	Oc1c(Br)cc(Br)cc1Br	C118796
FP3_49	O=Cc1cc(OCC)c(O)cc1	C121324
FP3_49	Oc1ccc(CC)cc1	C123079
FP3_49	NCCN1CCNCC1	C140318
FP3_49	COc1ccc(OC)cc1	C150787
FP3_49	n1c(C(=O)O)cccc1C(=O)O	C499832
FP3_49	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP3_49	Oc1ccc(CCC)cc1	C645567
FP3_49	CCCCCCC1OC(=O)CC1	C706149
FP3_49	Nc1ccc(OCCCCCC)cc1	C39905572
FP3_49	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP3_49	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP3_49	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
FP3_49	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
FP3_49	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP3_49	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP3_49	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP3_49	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP3_49	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP3_49	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP3_49	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP3_49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP3_49	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP3_49	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP3_49	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP3_49	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP3_49	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP3_49	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP3_49	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP3_49	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP3_49	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP3_49	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP3_49	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP3_49	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP3_49	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP3_49	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP3_49	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP3_49	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP3_49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP3_49	c1(c(CC)cccc1)O	C90006
FP3_49	c1c(O)cccc1CC	C620177
FP3_49	C(=O)(/C=C/c1ccccc1)O	C140103
FP3_49	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP3_49	c1(c(ccc(c1)Cl)O)C	C1570645
FP3_49	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP3_49	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP3_49	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP3_49	C(=O)(c1ccc(cc1)O)OCC	C120478
FP3_49	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP3_49	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP3_49	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP3_49	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP3_49	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP3_49	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP3_49	c1cccc(OC)c1O	C90051
FP3_49	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP3_49	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP3_49	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP3_49	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP3_49	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP3_49	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP3_49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP3_49	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP3_49	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP3_49	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP3_49	c12cc3ccc4ccccc4c3cc1cccc2	C56553
FP3_49	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP3_49	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP3_49	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
FP3_49	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP3_49	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP3_49	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP3_49	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP3_49	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP3_49	Cc1cc(O)ccc1	C108394
FP3_49	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP3_49	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP3_49	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP3_49	c1ccc2ncsc2c1	C95169
FP3_49	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP3_49	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP3_49	C(OCCCC)C1CO1	C2426086
FP3_49	c1(ccc(cc1)C)C(C)(C)C	C98511
FP3_49	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP3_49	C(F)(F)(F)c1ccc(Cl)cc1	C98566
FP3_49	O=C/C=C/c1ccccc1	C14371109
FP3_49	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP3_49	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP3_49	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP3_49	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP3_49	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP3_49	Oc1cc(Cl)ccc1Cl	C583788
FP3_49	N(C1CCCCC1)C1CCCCC1	C101837
FP3_49	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP3_49	C12C3C=CC(C3)C1C=CC2	C77736
FP3_49	N(C)(C)c1cccc(O)c1	C99070
FP3_49	c1ccc2c(c1)c(c(cc2)C)C	C28804888
FP3_49	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP3_49	Cc1c(C)cccc1O	C526750
FP3_49	Cc1cc(C)cc(O)c1	C108689
FP3_49	C=Cc1ccccc1C=C	C1321740
FP3_49	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP3_49	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP3_49	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP3_49	O=C(OCC)c1c(N)cccc1	C87252
FP3_49	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP3_49	CC=C1CC2C=CC1C2	C16219753
FP3_49	c1c(CO)occ1	C98000
FP3_49	O=C(OCCCCCC)c1ccccc1	C6789884
FP3_49	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP3_49	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP3_49	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP3_49	O=C(C)C=Cc1ccccc1	C122576
FP3_49	C1COCCN1	C110918
FP3_49	[N+](=O)([O-])c1ccccc1N	C88744
FP3_49	c12ncccc1ccc1c2nccc1	C66717
FP3_49	O(c1ccc(N)cc1)CC	C156434
FP3_49	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP3_49	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
FP3_49	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP3_49	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP3_49	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP3_49	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP3_49	c12ccccc1CCCC2	C119642
FP3_49	Cc1cccc2nn[nH]c12	C29385431
FP3_49	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP3_49	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP3_49	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP3_49	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
FP3_49	O(C)c1cc(C=O)ccc1OC	C120149
FP3_49	Cc1cccc(C)c1	C108383
FP3_49	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP3_49	OCCc1ccccc1	C60128
FP3_49	O=C(O)c1ccccc1O	C69727
FP3_49	CC1(C(=C)C2CCC1C2)C	C79925
FP3_49	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP3_49	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP3_49	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP3_49	O=C1c2c(cccc2)C(=O)N1	C85416
FP3_49	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP3_49	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP3_49	OC1CCC(C(C)(C)C)CC1	C98522
FP3_49	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
FP3_49	O=C(O)c1ccc(O)cc1	C99967
FP3_49	N1(SSN2CCOCC2)CCOCC1	C103344
FP3_49	c1(OCCOc2ccccc2)ccccc1	C104665
FP3_49	O=C1OCC(C)O1	C108327
FP3_49	Clc1nc(Cl)nc(Cl)n1	C108770
FP3_49	Sc1ccccc1	C108985
FP3_49	N1CCCCCC1	C111499
FP3_49	O=Cc1ccc(OC)cc1	C123115
FP3_49	Oc1ccc2ccccc2c1	C135193
FP3_49	[O-]c1ccccc1.[Na+]	C139026
FP3_49	Clc1ccc(C(F)(F)F)cc1Cl	C328847
FP3_49	Brc1ccc(F)cc1	C460004
FP3_49	C1=CC=CC1	C542927
FP3_49	O=C1c2c(cccc2)C(=O)N1C	C550447
FP3_49	CC1=CCC(=C(C)C)CC1	C586629
FP3_49	O=C1NCCC1	C616455
FP3_49	ClP(c1ccccc1)Cl	C644973
FP3_49	OC(C)COc1ccccc1	C770354
FP3_49	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
FP3_49	Nc1cccc(C)c1C	C1300738
FP3_49	O=S(=O)(c1ccccc1O)O	C1333397
FP3_49	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP3_49	Oc1cccc2c1OC(C)(C)C2	C1563388
FP3_49	OC1CCCCCCCCCCC1	C1724396
FP3_49	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP3_49	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP3_49	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP3_49	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
FP3_49	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP3_49	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP3_49	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
FP3_49	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP3_49	OCc1cccc(Oc2ccccc2)c1	C13826352
FP3_49	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP3_49	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP3_49	Nc1c(C)cccc1CC	C24549062
FP3_49	Clc1cccc(C)c1	C25168052
FP3_49	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP3_49	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP3_49	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP3_49	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP3_49	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP3_49	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP3_49	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP3_49	C1(CO1)COCCCCCCCCCCCC	C68609972
FP3_49	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP3_49	O=S(=O)(c1ccc(C)cc1)N	C70553
FP3_49	Cc1cc(C)c(C)cc1C	C95932
FP3_49	OCC1OCCC1	C97994
FP3_49	O=C(c1ccc(O)cc1)C	C99934
FP3_49	CN1CCOCC1	C109024
FP3_49	O=C(OCc1ccccc1)c1ccccc1	C120514
FP3_49	O=C1CCCC1	C120923
FP3_49	CCCCCC(=Cc1ccccc1)C=O	C122407
FP3_49	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP3_49	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP3_49	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
FP3_49	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP3_49	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
FP3_49	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP3_49	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP3_49	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP3_49	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP3_49	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP3_49	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP3_49	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP3_49	CC(=C)C1CC=C(C)CC1	C138863
FP3_49	n1c[nH]cc1	C288324
FP3_49	OC1CC(CCC1C(C)C)C	C1490046
FP3_49	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP3_49	Nc1cc(Cl)cc(Cl)c1	C626437
FP3_49	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP3_49	O=C1NC2NC(=O)NC2N1	C496468
FP3_49	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP3_49	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP3_49	Oc1cc(C)c(Cl)c(C)c1	C88040
FP3_49	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP3_49	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP3_49	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP3_49	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP3_49	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP3_49	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP3_49	CCN1CN(CC)CN(CC)C1	C7779273
FP3_49	OCn1nc(C)cc1C	C85264331
FP3_49	Clc1c(Cl)ssc1=O	C1192525
FP3_49	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP3_49	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP3_49	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP3_49	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP3_49	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP3_49	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP3_49	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP3_49	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP3_49	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP3_49	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP3_49	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP3_49	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
FP3_49	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP3_49	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP3_49	OC1CCCC1	C96413
FP3_49	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP3_49	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP3_49	CCCCCCCCCc1ccc(O)cc1	C104405
FP3_49	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP3_49	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP3_49	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP3_49	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP3_49	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP3_49	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP3_49	O=C1OC(CCCCC)CC1	C104610
FP3_49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP3_49	O=C(COc1ccc(Cl)cc1)O	C122883
FP3_49	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP3_49	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP3_49	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP3_49	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP3_49	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP3_49	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP3_49	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP3_49	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP3_49	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP3_49	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP3_49	O=C(CBr)c1ccc(O)cc1	C2491385
FP3_49	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP3_49	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP3_49	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP3_49	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP3_49	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP3_49	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP3_49	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP3_49	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP3_49	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP3_49	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP3_49	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP3_49	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP3_49	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
FP3_49	Cc1ccc(C)c2c1cccc2	C571584
FP3_49	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP3_49	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP3_49	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP3_49	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP3_49	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP3_49	O=C1N(CCCCCCCC)CCC1	C2687947
FP3_49	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP3_49	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP3_49	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP3_49	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP3_49	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP3_49	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP3_49	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP3_49	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
FP3_49	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP3_49	O=C(N(C)C)Nc1ccccc1	C101428
FP3_49	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP3_49	Oc1ccc(CCCCCCC)cc1	C1987504
FP3_49	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP3_49	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP3_49	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP3_49	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP3_49	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP3_49	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP3_49	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP3_49	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
FP3_49	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP3_49	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP3_49	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP3_49	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP3_49	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP3_49	O=C(O)c1ccccc1OCCCCCC	C6259763
FP3_49	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP3_49	O=C(c1ccccc1O)C	C118934
FP3_49	O=C1OCC(CC)O1	C4437858
FP3_49	O=C(CBr)OCc1ccccc1	C5437456
FP3_49	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP3_49	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP3_49	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP3_49	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP3_49	CO[Si](OC)(OC)c1ccccc1	C2996921
FP3_49	Nc1ccc(CCCCC)cc1	C33228443
FP3_49	Nc1ccc(CCCCCC)cc1	C33228454
FP3_49	O=C(OCC)c1c(C)cccc1	C87241
FP3_49	OC1CCC(C(CC)(C)C)CC1	C5349519
FP3_49	O=C1CCC(C2CCCCC2)CC1	C92682
FP3_49	OC1CCC(C2CCCCC2)CC1	C2433149
FP3_49	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP3_49	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP3_49	OC(C)(C)C1CC=C(C)CC1	C8000417
FP3_49	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP3_49	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP3_49	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP3_49	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP3_49	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
FP3_49	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP3_49	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP3_49	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP3_49	CC(C)C1=CCC(=CC1)C	C99854
FP3_49	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
FP3_49	CC1=CC=C(C(C)C)CC1	C99865
FP3_49	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP3_49	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP3_49	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP3_49	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP3_49	O=C1C=CC(=O)N1c1ccccc1	C941695
FP3_49	Oc1ccccc1CN(C)C	C120650
FP3_49	O=C1CCC(O1)CC	C695067
FP3_49	O=C1OC(CCCCCC)(C)CC1	C7011838
FP3_49	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP3_49	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP3_49	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP3_49	O=C1NC(=O)C(N1)(CC)C	C5394365
FP3_49	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP3_49	O=C(C)c1cc2ccccc2cc1	C93083
FP3_49	O=C(Nc1ccccc1)CCl	C587655
FP3_49	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP3_49	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP3_49	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP3_49	O1C=CCCC1	C110872
FP3_49	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP3_49	OCC=Cc1ccccc1	C104541
FP3_49	CCC(c1ccccc1)CCC	C4468422
FP3_49	O=C(N)Nc1ccc(Cl)cc1	C140385
FP3_49	O=c1ccoc(CC)c1O	C4940118
FP3_49	NCCCN1CCOCC1	C123002
FP3_49	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP3_49	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP3_49	O=C(C)OC(C)c1ccccc1	C93925
FP3_49	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP3_49	O=S(=O)(c1cc(C)ccc1C)O	C609541
FP3_49	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP3_49	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP3_49	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP3_49	N#Cc1c(O)cccc1	C611201
FP3_49	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP3_49	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP3_49	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP3_49	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP3_49	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP3_49	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP3_49	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP3_49	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP3_49	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP3_49	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP3_49	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP3_49	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP3_49	OC1CC(C)(C)CC(C)C1	C116029
FP3_49	O=C1C(C(CC)C)CCCC1	C14765301
FP3_49	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP3_49	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP3_49	c1(Cc2ccccc2)ccccc1	C101815
FP3_49	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP3_49	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP3_49	c12ccccc1CC=C2	C95136
FP3_49	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP3_49	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP3_49	Oc1cc(C(C)C)ccc1C	C499752
FP3_49	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
FP3_49	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP3_49	c1([Hg]c2ccccc2)ccccc1	C587859
FP3_49	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP3_49	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP3_49	CCCCCCCCCCCCN1CCOCC1	C1541817
FP3_49	CC(C)N(C(C)C)c1ccccc1	C4107986
FP3_49	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP3_49	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP3_49	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP3_49	Oc1c(OCC)cccc1	C94713
FP3_49	Oc1ccc(C(C)C)cc1	C99898
FP3_49	COc1ccc(CCC)cc1	C104450
FP3_49	c1(CCCc2ccccc2)ccccn1	C2110181
FP3_49	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP3_49	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP3_49	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP3_49	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP3_49	OC(CO)c1ccccc1	C93561
FP3_49	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP3_49	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP3_49	O=C(N)Nc1ccccc1	C64108
FP3_49	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP3_49	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP3_49	Oc1c(C(C)C)cccc1	C88697
FP3_49	O=C1CCC(C(C)(C)C)CC1	C98533
FP3_49	O=C(c1ccccc1)Cc1ccccc1	C451401
FP3_49	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP3_49	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP3_49	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP3_49	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP3_49	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP3_49	Oc1cc(C(C)C)ccc1	C618451
FP3_49	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP3_49	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP3_49	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP3_49	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP3_49	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP3_49	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP3_49	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
FP3_49	Oc1cc(C(C)(C)C)ccc1	C585342
FP3_49	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP3_49	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP3_49	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP3_49	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP3_49	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP3_49	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP3_49	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP3_49	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP3_49	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP3_49	O=C(c1ccccc1)OCCC(C)C	C94462
FP3_49	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP3_49	Oc1ccc(CCCC)cc1	C1638228
FP3_49	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP3_49	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP3_49	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP3_49	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP3_49	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP3_49	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP3_49	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP3_49	O=C1OC(CCC)CC1	C105215
FP3_49	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP3_49	c12ccccc1c1c(cccc1)s2	C132650
FP3_49	O=C(c1ccccc1)c1ccccc1O	C117997
FP3_49	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP3_49	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP3_49	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP3_49	Nc1ccc(CCC)cc1	C2696846
FP3_49	Nc1ccc(C(C)(C)C)cc1	C769926
FP3_49	O=C(C1CCCCC1)c1ccccc1	C712505
FP3_49	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP3_49	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP3_49	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP3_49	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP3_49	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP3_49	Sc1ccc(C)cc1	C106456
FP3_49	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP3_49	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP3_49	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP3_49	Clc1ccc(CCCC)cc1	C15499271
FP3_49	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
FP3_49	O=C(CCCCCC)c1ccccc1	C1671756
FP3_49	Oc1ccc(OCCCCCC)cc1	C18979550
FP3_49	Sc1ccc(C(C)(C)C)cc1	C2396681
FP3_49	O=C1CCC(CCC)CC1	C40649363
FP3_49	Nc1ccc(cc1)OCCCC	C4344552
FP3_49	O=C(O)c1c(C)cc(C)cc1C	C480637
FP3_49	O=C(c1ccccc1)C1CCC1	C5407987
FP3_49	O=C(c1ccccc1)C(C)C	C611701
FP3_49	O=C(c1ccc(Cl)cc1)CC	C6285058
FP3_49	OC1CCC(CCCC)CC1	C70568604
FP3_49	Clc1ccc(CCCCC)cc1	C79098207
FP3_49	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP3_49	O=C(OC)c1c(C)cccc1	C89714
FP3_49	O=C(c1ccccc1)C(C)(C)C	C938169
FP3_49	O=C(Oc1ccccc1)c1ccccc1	C93992
FP3_49	O=C(OCC)c1ccc(C)cc1	C94086
FP3_49	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP3_49	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP3_49	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP3_49	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP3_49	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP3_49	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP3_49	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP3_49	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP3_49	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP3_49	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP3_49	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP3_49	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP3_49	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP3_49	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP3_49	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP3_49	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP3_49	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP3_49	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
FP3_49	S=C1NCCN1	C96457
FP3_49	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP3_49	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP3_49	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP3_49	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
FP3_49	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP3_49	O=c1ccc(=O)[nH][nH]1	C123331
FP3_49	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP3_49	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP3_49	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP3_49	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP3_49	Oc1c(cccc1)c1ccccc1	C90437
FP3_49	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP3_49	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP3_49	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP3_49	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP3_49	Clc1nc(nc(n1)NCC)NCC	C122349
FP3_49	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP3_49	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP3_49	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP3_49	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
FP3_49	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP3_49	c1ccccc1Nc1ccccc1	C122394
FP3_49	c1ccccc1OCCO	C122996
FP3_49	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP3_49	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP3_49	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP3_49	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP3_49	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP3_49	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP3_49	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP3_49	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP3_49	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP3_49	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP3_49	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP3_49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP3_49	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP3_49	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP3_49	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP3_49	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP3_49	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP3_49	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP3_49	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP3_49	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP3_49	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP3_49	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP3_49	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP3_49	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP3_49	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP3_49	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP3_49	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP3_49	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP3_49	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP3_49	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP3_49	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP3_49	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP3_49	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP3_49	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP3_49	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP3_49	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP3_49	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP3_49	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP3_49	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP3_49	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP3_49	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP3_49	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP3_49	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP3_49	O=C(SCC)N1CCCCCC1	C2212671
FP3_49	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP3_49	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP3_49	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP3_49	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP3_49	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP3_49	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP3_49	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP3_49	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP3_49	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP3_49	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP3_49	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP3_49	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP3_49	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP3_49	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP3_49	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP3_49	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP3_49	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP3_49	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP3_49	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP3_49	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP3_49	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP3_49	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP3_49	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP3_49	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP3_49	CN1CN(C)CSC1=S	C533744
FP3_49	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP3_49	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP3_49	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP3_49	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP3_49	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP3_49	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP3_49	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP3_49	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP3_49	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP3_49	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP3_49	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP3_49	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP3_49	N#Cc1c(Cl)cccc1Cl	C1194656
FP3_49	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP3_49	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP3_49	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP3_49	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP3_49	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP3_49	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP3_49	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP3_49	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP3_49	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP3_49	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP3_49	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP3_49	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP3_49	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP3_49	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP3_49	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP3_49	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP3_49	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP3_49	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP3_49	O=C(SC)c1cccc2c1snn2	C135158542
FP3_49	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP3_49	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP3_49	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP3_49	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP3_49	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP3_49	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP3_49	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP3_49	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP3_49	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP3_49	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP3_49	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP3_49	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP3_49	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP3_49	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP3_49	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP3_49	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP3_49	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP3_49	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP3_49	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP3_49	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP3_49	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP3_49	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP3_49	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP3_49	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP3_49	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP3_49	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP3_49	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP3_49	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP3_49	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP3_49	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP3_49	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP3_49	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP3_49	N#CSCSc1nc2ccccc2s1	C21564170
FP3_49	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP3_49	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP3_49	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP3_49	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP3_49	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP3_49	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP3_49	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP3_49	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP3_49	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP3_49	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP3_49	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP3_49	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP3_49	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP3_49	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP3_49	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP3_49	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP3_49	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP3_49	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP3_49	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP3_49	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP3_49	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP3_49	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP3_49	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP3_49	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP3_49	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP3_49	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP3_49	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP3_49	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP3_49	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP3_49	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP3_49	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP3_49	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP3_49	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP3_49	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP3_49	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP3_49	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP3_49	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP3_49	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP3_49	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP3_49	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP3_49	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP3_49	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP3_49	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP3_49	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP3_49	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP3_49	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP3_49	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP3_49	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP3_49	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP3_49	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP3_49	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP3_49	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP3_49	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP3_49	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP3_49	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP3_49	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP3_49	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP3_49	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP3_49	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP3_49	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP3_49	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP3_49	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP3_49	Clc1nc(NCC)nc(N)n1	C1007289
FP3_49	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP3_49	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP3_49	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP3_49	O=C(OC)c1ccccc1C(=O)O	C4376185
FP3_49	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP3_49	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP3_49	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP3_49	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP3_49	c1(ccc(cc1)O)NC(=O)C	C103902
FP3_49	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP3_49	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP3_49	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP3_49	C/C=C/c1ccc(cc1)OC	C4180238
FP3_49	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP3_49	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP3_49	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP3_49	c1(N=Nc2ccccc2)ccccc1	C103333
FP3_49	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP3_49	Nc1ccc(c2ccc(N)cc2)cc1	C92875
FP3_49	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP3_49	c1coc2c1cccc2	C271896
FP3_49	OC(=O)c1ccccc1	C65850
FP3_49	ClC(c1ccccc1)(Cl)Cl	C98077
FP3_49	OCc1ccccc1	C100516
FP3_49	c1c(cccc1)c1ccccc1	C92524
FP3_49	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP3_49	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP3_49	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP3_49	CC(C)(C)c1cc(O)ccc1O	C1948330
FP3_49	C(c1ccc(O)cc1)(C)(C)C	C98544
FP3_49	O=C1CCCO1	C96480
FP3_49	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP3_49	O=C1CCCCCN1	C105602
FP3_49	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP3_49	Oc1c(cccc1)O	C120809
FP3_49	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP3_49	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
FP3_49	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP3_49	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP3_49	Nc1c(ccc(c1)Cl)N	C95830
FP3_49	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP3_49	O=C(c1ccccc1)CCl	C532274
FP3_49	Nc1ccc(cc1)Cl	C106478
FP3_49	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP3_49	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP3_49	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP3_49	O=c1oc2c(cccc2)cc1	C91645
FP3_49	Nc1cc(ccc1OC)C	C120718
FP3_49	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP3_49	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
FP3_49	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
FP3_49	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP3_49	Nc1c(ccc(c1)N)C	C95807
FP3_49	Clc1c(cccc1)Cl	C95501
FP3_49	Clc1ccc(cc1)Cl	C106467
FP3_49	Clc1c(ccc(c1)Cl)O	C120832
FP3_49	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP3_49	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP3_49	CC1CC(OC(O1)C)OC(=O)C	C828002
FP3_49	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP3_49	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP3_49	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP3_49	CN(c1ccccc1)C	C121697
FP3_49	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
FP3_49	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP3_49	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP3_49	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP3_49	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
FP3_49	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP3_49	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP3_49	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP3_49	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP3_49	O1C2C1CCC(C2)C1CO1	C106876
FP3_49	Oc1c(cc(cc1)CC=C)OC	C97530
FP3_49	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP3_49	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP3_49	O=Cc1ccco1	C98011
FP3_49	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP3_49	OCC1CO1	C556525
FP3_49	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
FP3_49	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
FP3_49	C1N2CN3CN(C2)CN1C3	C100970
FP3_49	Oc1c(ccc(c1)O)CCCCCC	C136776
FP3_49	N(c1ccccc1)Nc1ccccc1	C122667
FP3_49	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP3_49	Oc1ccc(cc1)O	C123319
FP3_49	Oc1cccc2cccnc12	C148243
FP3_49	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP3_49	O=C(c1ccncc1)NN	C54853
FP3_49	CC1(CC(=CC(=O)C1)C)C	C78591
FP3_49	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP3_49	Sc1nc2c(cccc2)s1	C149304
FP3_49	[nH]1c(=S)n(cc1)C	C60560
FP3_49	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP3_49	O=C1N(CCC1)C	C872504
FP3_49	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP3_49	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP3_49	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
FP3_49	Cc1c2c(ccc1)cccc2	C90120
FP3_49	Cc1cc2cccnc2cc1	C91623
FP3_49	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP3_49	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP3_49	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
FP3_49	c1c2c(ccc1)cccc2	C91203
FP3_49	Nc1c2c(ccc1)c(ccc2)N	C2243621
FP3_49	Nc1cc2c(cccc2)cc1	C91598
FP3_49	CN1CCC[C@H]1c1cnccc1	C54115
FP3_49	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP3_49	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP3_49	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP3_49	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP3_49	O=[N+](c1ccccc1)[O-]	C98953
FP3_49	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP3_49	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP3_49	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP3_49	O=NN(c1ccccc1)c1ccccc1	C86306
FP3_49	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP3_49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP3_49	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP3_49	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP3_49	Oc1ccccc1	C108952
FP3_49	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP3_49	N1c2c(cccc2)Sc2ccccc12	C92842
FP3_49	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP3_49	Nc1cc(ccc1)N	C108452
FP3_49	CC(=O)O[Hg]c1ccccc1	C62384
FP3_49	C1CNCCN1	C110850
FP3_49	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP3_49	O=S1(=O)CCCO1	C1120714
FP3_49	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP3_49	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP3_49	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP3_49	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP3_49	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP3_49	Oc1cc(ccc1)O	C108463
FP3_49	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP3_49	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP3_49	C=CCc1ccc2c(c1)OCO2	C94597
FP3_49	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP3_49	C1C(c2ccccc2)O1	C96093
FP3_49	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP3_49	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP3_49	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP3_49	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP3_49	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP3_49	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP3_49	Cc1c(ccc(c1)C)C	C95636
FP3_49	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP3_49	O=C1N(C=C)CCC1	C88120
FP3_49	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP3_49	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP3_49	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP3_49	Oc1ccccc1Cl	C95578
FP3_49	Oc1cc(C)c(Cl)cc1	C59507
FP3_49	CC1(C)NC(=O)NC1=O	C77714
FP3_49	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP3_49	c1ccc2cccc3c2c1CC3	C83329
FP3_49	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP3_49	n1cccc2c1cccc2	C91225
FP3_49	CCN(CC)c1ccccc1	C91667
FP3_49	Oc1c(C)cccc1	C95487
FP3_49	c1ccccc1C(=O)C	C98862
FP3_49	Cc1cc([N+](=O)[O-])ccc1	C99081
FP3_49	CN(C)c1ccc(C)cc1	C99978
FP3_49	Oc1ccc([N+](=O)[O-])cc1	C100027
FP3_49	CCNc1cc(C)ccc1	C102272
FP3_49	Oc1c(C)cc(C)cc1	C105679
FP3_49	Oc1ccc(C)cc1	C106445
FP3_49	Nc1ccc(C)cc1	C106490
FP3_49	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP3_49	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP3_49	c1ccccc1C(=O)c1ccccc1	C119619
FP3_49	Clc1c(Cl)cc(Cl)cc1	C120821
FP3_49	c1(C=O)cc(OC)c(O)cc1	C121335
FP3_49	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP3_49	c1cccc2c3ccccc3oc12	C132649
FP3_49	Oc1c(C)cc(C)cc1C	C527606
FP3_49	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP3_49	Clc1cc(Cl)ccc1	C541731
FP3_49	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP3_49	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP3_49	Oc1c(C)c(C)ccc1C	C2416946
FP3_49	Oc1ccc(CCCCCCCC)cc1	C1806264
FP3_49	c1(c(O)cccc1)C(CC)C	C89725
FP3_49	c1(ccc(cc1)O)C(CC)C	C99718
FP3_49	Oc1ccc(C=CC)cc1OC	C97541
FP3_49	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
FP3_49	c1(CCCC)ccccc1	C104518
FP3_49	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP3_49	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP3_49	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP3_49	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP3_49	C(=O)(c1ccc(cc1)O)OC	C99763
FP3_49	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP3_49	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP3_49	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP3_49	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP3_49	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP3_49	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP3_49	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP3_49	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP3_49	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP3_49	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP3_49	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP3_49	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP3_49	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP3_49	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP3_49	O=N(=O)c1ccc(C)cc1	C99990
FP3_49	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP3_49	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP3_49	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
FP3_49	c1cc2cccc3C=Cc(c1)c23	C208968
FP3_49	Nc1c(OC)cccc1	C90040
FP3_49	c1ccc2cc3ccccc3cc2c1	C120127
FP3_49	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
FP3_49	Brc1ccc(Oc2ccccc2)cc1	C101553
FP3_49	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP3_49	Cc1ccccc1Cl	C95498
FP3_49	NC1CCCCC1	C108918
FP3_49	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP3_49	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
FP3_49	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
FP3_49	Oc1cc(C)c(C)cc1	C95658
FP3_49	Oc1c(cccc1C)C	C576261
FP3_49	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP3_49	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP3_49	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP3_49	c1cccc2c1c1cccc3cccc2c13	C206440
FP3_49	c1cccc2Cc3ccccc3c12	C86737
FP3_49	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP3_49	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP3_49	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP3_49	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP3_49	c1cc2c(cc1)c1c(cccc1)cc2	C85018
FP3_49	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP3_49	c12cccc3c1c1c(cccc1cc3)cc2	C129000
FP3_49	Clc1cc(Cl)c(Cl)cc1Cl	C95943
FP3_49	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP3_49	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP3_49	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP3_49	O=C(O)c1ccc(N)cc1	C150130
FP3_49	Oc1c(ccc(N)c1)C	C2835952
FP3_49	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP3_49	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP3_49	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP3_49	Cc1ccc(Cl)cc1	C106434
FP3_49	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP3_49	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP3_49	O(O)C(c1ccccc1)(C)C	C80159
FP3_49	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP3_49	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP3_49	Nc1cc(C)ccc1N	C496720
FP3_49	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP3_49	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP3_49	c1(ccccc1)C(Cl)Cl	C98873
FP3_49	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP3_49	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP3_49	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP3_49	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP3_49	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP3_49	Oc1c(ccc(C)c1)C	C95874
FP3_49	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP3_49	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP3_49	N(c1ccccc1)CC	C103695
FP3_49	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP3_49	o1c(C)c(O)c(=O)cc1	C118718
FP3_49	O=C(OC)c1c(N)cccc1	C134203
FP3_49	O(C)c1cc(CC=C)ccc1OC	C93152
FP3_49	O=C(OC)c1c(O)cccc1	C119368
FP3_49	[N+](=O)([O-])c1ccccc1C	C88722
FP3_49	O=c1ccsn1CCCCCCCC	C26530201
FP3_49	Nc1c(N)cccc1	C95545
FP3_49	N(c1ccccc1)c1ccc(N)cc1	C101542
FP3_49	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP3_49	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP3_49	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP3_49	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP3_49	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP3_49	Nc1c(cccc1)C	C95534
FP3_49	Clc1c(Cl)cccc1Cl	C87616
FP3_49	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP3_49	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
FP3_49	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP3_49	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP3_49	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP3_49	Nc1c(cccc1C)C	C87627
FP3_49	Oc1c(C(C)(C)C)cccc1	C88186
FP3_49	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP3_49	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP3_49	CC(C)c1cccc(C(C)C)c1	C99627
FP3_49	CC(C)c1ccc(C)cc1	C99876
FP3_49	N#Cc1cnccc1	C100549
FP3_49	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP3_49	Nc1cccc(C)c1	C108441
FP3_49	Cc1cc(C)cc(C)c1	C108678
FP3_49	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP3_49	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP3_49	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP3_49	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP3_49	[nH]1ncnc1	C288880
FP3_49	c1(c2ccncc2)ccncc1	C553264
FP3_49	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
FP3_49	Nc1c(CC)cccc1CC	C579668
FP3_49	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP3_49	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP3_49	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP3_49	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP3_49	Nc1cccc(C)c1N	C2687254
FP3_49	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP3_49	C1=CCCC=CCCC=CCC1	C4904614
FP3_49	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
FP3_49	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP3_49	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP3_49	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP3_49	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP3_49	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP3_49	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP3_49	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP3_49	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP3_49	CCC12N(COC1)COC2	C7747355
FP3_49	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP3_49	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP3_49	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP3_49	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP3_49	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP3_49	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP3_49	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP3_49	O=Cc1ccccc1C=O	C643798
FP3_49	O=c1[nH]sc2c1cccc2	C2634335
FP3_49	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP3_49	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP3_49	Nn1cnnc1	C584134
FP3_49	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP3_49	O=c1n(C)sc(Cl)c1	C26172554
FP3_49	O=C1CCC(O1)CCCCCCC	C104676
FP3_49	Oc1cc(C)ccc1C(C)C	C89838
FP3_49	O=C1NC(=O)C(N1CO)(C)C	C116256
FP3_49	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP3_49	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP3_49	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP3_49	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP3_49	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP3_49	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP3_49	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP3_49	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP3_49	O=C(OCCCC)c1ccccc1	C136607
FP3_49	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP3_49	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP3_49	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP3_49	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP3_49	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP3_49	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP3_49	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP3_49	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP3_49	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP3_49	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
FP3_49	CCCc1ccccc1	C103651
FP3_49	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP3_49	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP3_49	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP3_49	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP3_49	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP3_49	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP3_49	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP3_49	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP3_49	CC(C)(C)c1ccccc1	C98066
FP3_49	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP3_49	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP3_49	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP3_49	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP3_49	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP3_49	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP3_49	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP3_49	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP3_49	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP3_49	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP3_49	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP3_49	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP3_49	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP3_49	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP3_49	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP3_49	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP3_49	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP3_49	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP3_49	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP3_49	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP3_49	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP3_49	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP3_49	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP3_49	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP3_49	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP3_49	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP3_49	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP3_49	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP3_49	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP3_49	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP3_49	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP3_49	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP3_49	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP3_49	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP3_49	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP3_49	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP3_49	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP3_49	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP3_49	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP3_49	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP3_49	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP3_49	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP3_49	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP3_49	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP3_49	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP3_49	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP3_49	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP3_49	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP3_49	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP3_49	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP3_49	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP3_49	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP3_49	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP3_49	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP3_49	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP3_49	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP3_49	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP3_49	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP3_49	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP3_49	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP3_49	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP3_49	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP3_49	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP3_49	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP3_49	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP3_49	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP3_49	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP3_49	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP3_49	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP3_49	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP3_49	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP3_49	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP3_49	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP3_49	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP3_49	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP3_49	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP3_49	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP3_49	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP3_49	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP3_49	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP3_49	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP3_49	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP3_49	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP3_49	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP3_49	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP3_49	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP3_49	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP3_49	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP3_49	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP3_49	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP3_49	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP3_49	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP3_49	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP3_49	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP3_49	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP3_49	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP3_49	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP3_49	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP3_49	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP3_49	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP3_49	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP3_49	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP3_49	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP3_49	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP3_49	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP3_49	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP3_49	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP3_49	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP3_49	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP3_49	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP3_49	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP3_49	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP3_49	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
FP3_49	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP3_49	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP3_49	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP3_49	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP3_49	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP3_49	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP3_49	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP3_49	Oc1cc2c(cccc2)c2ccccc12	C484173
FP3_49	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP3_49	C1(CCCCC1)SSC1CCCCC1	C2550405
FP3_49	CCCCCCCCCCCCc1ccccc1	C123013
FP3_49	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP3_49	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP3_49	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP3_49	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP3_49	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP3_49	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP3_49	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP3_49	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP3_49	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP3_49	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP3_49	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP3_49	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP3_49	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP3_49	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP3_49	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP3_49	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP3_49	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP3_49	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP3_49	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP3_49	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP3_49	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP3_49	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP3_49	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP3_49	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP3_49	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP3_49	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP3_49	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP3_49	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP3_49	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP3_49	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP3_49	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP3_49	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP3_49	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP3_49	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP3_49	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP3_49	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP3_49	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP3_49	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP3_49	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP3_49	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP3_49	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP3_49	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP3_49	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP3_49	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP3_49	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP3_49	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP3_49	O=C(OCC)c1ccccc1	C93890
FP3_49	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP3_49	NCc1cccc(CN)c1	C1477550
FP3_49	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
FP3_49	CC1(C)C2C(=CCC1C2)C	C80568
FP3_49	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP3_49	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP3_49	n1cc(C)ccc1	C108996
FP3_49	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP3_49	CCC1CO1	C106887
FP3_49	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP3_49	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP3_49	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP3_49	O=[N+](c1cnc(s1)N)[O-]	C121664
FP3_49	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP3_49	CC1CC(=O)O1	C3068880
FP3_49	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP3_49	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP3_49	Clc1ccc(N)cc1.Cl	C20265967
FP3_49	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
FP3_49	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP3_49	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
FP3_49	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP3_49	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP3_49	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP3_49	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP3_49	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP3_49	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP3_49	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP3_49	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP3_49	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP3_49	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP3_49	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP3_49	NNc1ccccc1.Cl	C59881
FP3_49	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP3_49	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP3_49	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
FP3_49	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP3_49	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP3_49	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP3_49	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP3_49	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP3_49	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP3_49	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP3_49	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP3_49	N#Cc1ccccc1	C100470
FP3_49	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP3_49	CC(c1ccc(CO)cc1)C	C536607
FP3_49	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP3_49	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP3_49	CN(C)c1ccc(C=O)cc1	C100107
FP3_49	Nc1ccc(Br)cc1	C106401
FP3_49	c1ccccc1Oc1ccc(O)cc1	C831823
FP3_49	c1c(I)c(O)c(I)cc1C#N	C1689834
FP3_49	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP3_49	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP3_49	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP3_49	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP3_49	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP3_49	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP3_49	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP3_49	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP3_49	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP3_49	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP3_49	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP3_49	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP3_49	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP3_49	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP3_49	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP3_49	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP3_49	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP3_49	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP3_49	N(=C=NC1CCCCC1)C1CCCCC1	C538750
FP3_49	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP3_49	Nc1ccc2cc3ccccc3cc2c1	C613138
FP3_49	Nc1ccc(OC)cc1	C104949
FP3_49	c12ccccc1ccc1c2cccn1	C85029
FP3_49	Brc1ccccc1c1ccccc1	C2052075
FP3_49	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP3_49	C(=O)(O)c1ccc(Cl)cc1	C74113
FP3_49	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP3_49	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP3_49	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP3_49	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP3_49	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP3_49	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP3_49	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP3_49	CCCCCc1cc(O)cc(O)c1	C500663
FP3_49	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP3_49	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP3_49	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP3_49	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP3_49	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP3_49	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP3_49	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP3_49	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP3_49	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP3_49	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
FP3_49	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP3_49	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
FP3_49	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP3_49	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP3_49	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP3_49	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP3_49	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
FP3_49	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP3_49	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP3_49	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP3_49	OCc1c[nH]c2c1cccc2	C700061
FP3_49	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP3_49	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP3_49	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP3_49	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP3_49	O=c1cc(C)o[nH]1	C10004441
FP3_49	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
FP3_49	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
FP3_49	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP3_49	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP3_49	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP3_49	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP3_49	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP3_49	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP3_49	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP3_49	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP3_49	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP3_49	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP3_49	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP3_49	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP3_49	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP3_49	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP3_49	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP3_49	Oc1ccc(cc1)Nc1ccccc1	C122372
FP3_49	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP3_49	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP3_49	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP3_49	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP3_49	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP3_49	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP3_49	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP3_49	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP3_49	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP3_49	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP3_49	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP3_49	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP3_49	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP3_49	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP3_49	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP3_49	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
FP3_49	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP3_49	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP3_49	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP3_49	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP3_49	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP3_49	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP3_49	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP3_49	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP3_49	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP3_49	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP3_49	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP3_49	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP3_49	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP3_49	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
FP3_49	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP3_49	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP3_49	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP3_49	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP3_49	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP3_49	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP3_49	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP3_49	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP3_49	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP3_49	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP3_49	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP3_49	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP3_49	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP3_49	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP3_49	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP3_49	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP3_49	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP3_49	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP3_49	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP3_49	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP3_49	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP3_49	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP3_49	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP3_49	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP3_49	Cl[Hg]c1ccccc1	C100561
FP3_49	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP3_49	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP3_49	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP3_49	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP3_49	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP3_49	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP3_49	O=[As]c1ccccc1	C637036
FP3_49	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP3_49	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP3_49	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP3_49	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP3_49	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP3_49	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP3_49	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP3_49	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
FP3_49	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
FP3_49	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP3_49	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP3_49	O=CN1CCCCC1	C2591868
FP3_49	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP3_49	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP3_49	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP3_49	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
FP3_49	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP3_49	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP3_49	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP3_49	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP3_49	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP3_49	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP3_49	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP3_49	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP3_49	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP3_49	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP3_49	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP3_49	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
FP3_49	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP3_49	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP3_49	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP3_49	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP3_49	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP3_49	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP3_49	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP3_49	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP3_49	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP3_49	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP3_49	Nc1cccc(C)n1	C1824813
FP3_49	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP3_49	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP3_49	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP3_49	CC1COc2ccccc2N1	C32329207
FP3_49	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP3_49	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP3_49	O=C([O-])c1cnccc1.[Na+]	C54864
FP3_49	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP3_49	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP3_49	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP3_49	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP3_49	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP3_49	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP3_49	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
FP3_49	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP3_49	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP3_49	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP3_49	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP3_49	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP3_49	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP3_49	SC1CCCC1	C1679078
FP3_49	COC(OC)C(C)c1ccccc1	C90879
FP3_49	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP3_49	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP3_49	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP3_49	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP3_49	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP3_49	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP3_49	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP3_49	NNC(=O)OCc1ccccc1	C5331431
FP3_49	CC1(C)C2CC(=CCC12)C	C13466789
FP3_49	c1(SSc2cccs2)cccs1	C6911519
FP3_49	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP3_49	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP3_49	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP3_49	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP3_49	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP3_49	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP3_49	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP3_49	O=COCc1ccc(OC)cc1	C122918
FP3_49	CCCCCc1ccco1	C3777693
FP3_49	OC1(C)SCC(O)(C)SC1	C55704784
FP3_49	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_1	CC(=O)N	C60355
FP4_1	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP4_1	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_1	CC(=O)OCc1ccccc1	C140114
FP4_1	CC(CNCC(C)O)O	C110974
FP4_1	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP4_1	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_1	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP4_1	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP4_1	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP4_1	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_1	Clc1c(ccc(c1)N)C	C95749
FP4_1	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP4_1	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_1	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP4_1	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_1	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP4_1	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP4_1	S=C(NCC)NCC	C105555
FP4_1	CN(C)C(=O)C	C127195
FP4_1	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
FP4_1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_1	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_1	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP4_1	CC1(C)OC2(C)CCC1CC2	C470826
FP4_1	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_1	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_1	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP4_1	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_1	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_1	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_1	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP4_1	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_1	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP4_1	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP4_1	C=Cc1ccc(cc1)C	C622979
FP4_1	O=[N+](CC)[O-]	C79243
FP4_1	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_1	O=C(N(CCCC)CC)SCCC	C1114712
FP4_1	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_1	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_1	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_1	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_1	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP4_1	Nc1ccccc1C.Cl	C636215
FP4_1	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_1	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_1	OCCOCCOCCOCCCC	C143226
FP4_1	CCCCCCCCCC=O	C112312
FP4_1	CCCCCCCCCCCC(=O)O	C143077
FP4_1	O=CCCCCCC	C111717
FP4_1	OC(=O)CCCCCCCCCCCCCCC	C57103
FP4_1	CCCCCCCCC=O	C124196
FP4_1	OC(=O)CCCC	C109524
FP4_1	O=C(O)CCCCCCCCCCCCC	C544638
FP4_1	OCCC	C71238
FP4_1	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_1	OC(C)CN	C78966
FP4_1	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP4_1	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_1	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP4_1	c1cc(N)ccc1C(=O)OCC	C94097
FP4_1	Nc1ccc(CCCC)cc1	C104132
FP4_1	CCOC(=O)CC(=O)OCC	C105533
FP4_1	CC(O)CC(C)(C)O	C107415
FP4_1	CCCC(=O)C	C107879
FP4_1	CCCCCC(=O)C	C110430
FP4_1	CCNCCO	C110736
FP4_1	CCCCCCO	C111273
FP4_1	CCCCCCCO	C111706
FP4_1	CCCCCCCCCC(=O)C	C112129
FP4_1	O=Cc1cc(OCC)c(O)cc1	C121324
FP4_1	Oc1ccc(CC)cc1	C123079
FP4_1	CCCCCC(=O)OCC	C123660
FP4_1	CCCCCCCCCCCCN	C124221
FP4_1	CCCCCCCCCO	C143088
FP4_1	O=C(OC(C)(C)C)C	C540885
FP4_1	Oc1ccc(CCC)cc1	C645567
FP4_1	CCCCCCC1OC(=O)CC1	C706149
FP4_1	CC/C=C\CCO	C928961
FP4_1	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
FP4_1	CCCCCCCCCCN	C2016571
FP4_1	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP4_1	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_1	Nc1ccc(OCCCCCC)cc1	C39905572
FP4_1	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP4_1	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_1	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP4_1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_1	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_1	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP4_1	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP4_1	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_1	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP4_1	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_1	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP4_1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_1	c1(c(CC)cccc1)O	C90006
FP4_1	c1c(O)cccc1CC	C620177
FP4_1	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP4_1	c1(c(ccc(c1)Cl)O)C	C1570645
FP4_1	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP4_1	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_1	C(=O)(c1ccc(cc1)O)OCC	C120478
FP4_1	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP4_1	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_1	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_1	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP4_1	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_1	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_1	C(=O)(O)C(C)O	C50215
FP4_1	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_1	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP4_1	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_1	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_1	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_1	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_1	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_1	CC(=C)C#N	C126987
FP4_1	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP4_1	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP4_1	Cc1cc(O)ccc1	C108394
FP4_1	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_1	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP4_1	CC(O)COC	C107982
FP4_1	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_1	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP4_1	ON=CCCC	C110690
FP4_1	O=C(OCCCC)C=C	C141322
FP4_1	C(C)(C)(C)N	C75649
FP4_1	C(OCCCC)C1CO1	C2426086
FP4_1	c1(ccc(cc1)C)C(C)(C)C	C98511
FP4_1	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP4_1	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP4_1	C(C(=O)C)C(C)(C)O	C123422
FP4_1	O=C(CC(C)C)CC(C)C	C108838
FP4_1	c1ccc2c(c1)c(c(cc2)C)C	C28804888
FP4_1	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_1	Cc1c(C)cccc1O	C526750
FP4_1	Cc1cc(C)cc(O)c1	C108689
FP4_1	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_1	C(CCCCCC)CCCCCS	C112550
FP4_1	O=C(OCC)c1c(N)cccc1	C87252
FP4_1	C(CC)(C=O)CCCC	C123057
FP4_1	OCC(C(O)CCC)CC	C94962
FP4_1	CCC(=CCCC)C=O	C645625
FP4_1	O=C(OCC(CCCC)CC)C=C	C103117
FP4_1	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_1	CC=C1CC2C=CC1C2	C16219753
FP4_1	O=C(OCCCCCC)c1ccccc1	C6789884
FP4_1	C(C)(C)(O)C#N	C75865
FP4_1	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_1	O(C(C)C)C(=O)C	C108214
FP4_1	OC(C=C)(CCC=C(C)C)C	C78706
FP4_1	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP4_1	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP4_1	N#CC(CCC#N)C	C4553622
FP4_1	O=C(C)C=Cc1ccccc1	C122576
FP4_1	C(CCCCCCC)C	C111842
FP4_1	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP4_1	O(c1ccc(N)cc1)CC	C156434
FP4_1	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP4_1	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_1	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_1	Cc1cccc2nn[nH]c12	C29385431
FP4_1	O=P(OCC)(OCC)OCC	C78400
FP4_1	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_1	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_1	Cc1cccc(C)c1	C108383
FP4_1	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
FP4_1	N#CC(C)C	C78820
FP4_1	CC1(C(=C)C2CCC1C2)C	C79925
FP4_1	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP4_1	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP4_1	OC1CCC(C(C)(C)C)CC1	C98522
FP4_1	O=C(C)OCC(CC)CCCC	C103093
FP4_1	O=C1OCC(C)O1	C108327
FP4_1	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
FP4_1	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
FP4_1	O=C(OC)CCCCCCCCC	C110429
FP4_1	O=C(C)OCCOC(=O)C	C111557
FP4_1	O=C(C)OCCOCCCC	C112072
FP4_1	CCCCCCCCCCCCN(C)C	C112185
FP4_1	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
FP4_1	OC(CCCCCC)C	C123966
FP4_1	OCC(N)(C)C	C124685
FP4_1	OCC(C)(C)CO	C126307
FP4_1	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_1	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_1	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_1	CC1=CCC(=C(C)C)CC1	C586629
FP4_1	O=COC(C)C	C625558
FP4_1	Cl[Sn](CCCC)(Cl)CCCC	C683181
FP4_1	OC(C)COc1ccccc1	C770354
FP4_1	NCCC[Si](OCC)(OCC)OCC	C919302
FP4_1	O=C(N(C)C)CCCCCCC	C1118929
FP4_1	Nc1cccc(C)c1C	C1300738
FP4_1	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP4_1	OCCOCCOCCOCCOCCCC	C1559348
FP4_1	Oc1cccc2c1OC(C)(C)C2	C1563388
FP4_1	O=C(N(C)C)CC(=O)C	C2044646
FP4_1	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_1	OCCOCCC	C2807309
FP4_1	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_1	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP4_1	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP4_1	O=C(CS)OCC(CC)CCCC	C7659861
FP4_1	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP4_1	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
FP4_1	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_1	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
FP4_1	Nc1c(C)cccc1CC	C24549062
FP4_1	OC(OCC(OC(O)CC)C)CC	C24800440
FP4_1	Clc1cccc(C)c1	C25168052
FP4_1	CC(CO)O	C25322694
FP4_1	SC(C)(C)CCCCCC	C25360105
FP4_1	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP4_1	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP4_1	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_1	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_1	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP4_1	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
FP4_1	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP4_1	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP4_1	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP4_1	C1(CO1)COCCCCCCCCCCCC	C68609972
FP4_1	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP4_1	O=S(=O)(c1ccc(C)cc1)N	C70553
FP4_1	OC(CCCC(C)C)(C)CC	C78693
FP4_1	Cc1cc(C)c(C)cc1C	C95932
FP4_1	O=C(c1ccc(O)cc1)C	C99934
FP4_1	CCCCCC(=Cc1ccccc1)C=O	C122407
FP4_1	OC(CC(C)CC(C)C)CC(C)C	C123171
FP4_1	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_1	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_1	O=C(C=C(C)C)C	C141797
FP4_1	Cl[Sn](Cl)(Cl)CCCC	C1118463
FP4_1	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_1	OC(C)COCCC	C1569013
FP4_1	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
FP4_1	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
FP4_1	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP4_1	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
FP4_1	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_1	OCC(CCC)CCCCC	C10042598
FP4_1	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP4_1	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP4_1	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP4_1	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_1	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP4_1	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP4_1	CC(=C)C1CC=C(C)CC1	C138863
FP4_1	OC1CC(CCC1C(C)C)C	C1490046
FP4_1	OCCC(C)CC(C)(C)C	C3452979
FP4_1	OC(OCCCC)CC	C29387868
FP4_1	O=C(C)OCCC(C)C(CC)CC	C108419336
FP4_1	ClC(Cl)(C)C	C594207
FP4_1	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_1	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP4_1	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_1	Oc1cc(C)c(Cl)c(C)c1	C88040
FP4_1	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_1	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
FP4_1	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP4_1	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_1	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP4_1	CCN1CN(CC)CN(CC)C1	C7779273
FP4_1	OCn1nc(C)cc1C	C85264331
FP4_1	OCCSCCCCCCCC	C3547339
FP4_1	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_1	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP4_1	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP4_1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_1	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_1	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_1	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP4_1	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_1	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_1	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_1	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_1	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_1	CCCCCCCCCc1ccc(O)cc1	C104405
FP4_1	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_1	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_1	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_1	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP4_1	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_1	O=C1OC(CCCCC)CC1	C104610
FP4_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_1	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_1	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_1	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_1	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_1	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_1	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_1	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP4_1	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_1	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_1	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_1	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_1	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_1	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_1	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP4_1	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP4_1	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_1	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_1	OC(CCCCC)C=C	C3391864
FP4_1	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
FP4_1	OCCCCCCC/C=C/C=C/C	C33956499
FP4_1	Cc1ccc(C)c2c1cccc2	C571584
FP4_1	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_1	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_1	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP4_1	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP4_1	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_1	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_1	CC(=CCCC(=CC#N)C)C	C5146667
FP4_1	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP4_1	O=C1N(CCCCCCCC)CCC1	C2687947
FP4_1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_1	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_1	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP4_1	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_1	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP4_1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_1	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_1	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP4_1	Oc1ccc(CCCCCCC)cc1	C1987504
FP4_1	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP4_1	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP4_1	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP4_1	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_1	O=C(O)c1ccccc1OCCCCCC	C6259763
FP4_1	O=C(CC)OCC	C105373
FP4_1	O=C(c1ccccc1O)C	C118934
FP4_1	O=C1OCC(CC)O1	C4437858
FP4_1	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_1	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP4_1	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_1	Nc1ccc(CCCCC)cc1	C33228443
FP4_1	Nc1ccc(CCCCCC)cc1	C33228454
FP4_1	O=C(OCC)c1c(C)cccc1	C87241
FP4_1	OC1CCC(C(CC)(C)C)CC1	C5349519
FP4_1	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP4_1	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_1	OC(C)(C)C1CC=C(C)CC1	C8000417
FP4_1	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_1	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_1	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
FP4_1	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_1	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP4_1	CC(C)C1=CCC(=CC1)C	C99854
FP4_1	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
FP4_1	CC1=CC=C(C(C)C)CC1	C99865
FP4_1	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP4_1	OCC(CCCCCC)CCCCCCCC	C2425776
FP4_1	CC(O)COCC	C1569024
FP4_1	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP4_1	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP4_1	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_1	O=C1CCC(O1)CC	C695067
FP4_1	O=C1OC(CCCCCC)(C)CC1	C7011838
FP4_1	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_1	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP4_1	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP4_1	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_1	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP4_1	O=C(C)c1cc2ccccc2cc1	C93083
FP4_1	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP4_1	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_1	OC(CCCC(C)C)(C)C	C13254347
FP4_1	O=C/C=C/CCC	C6728263
FP4_1	O=C(CC(C)C)OCC(C)CC	C2445774
FP4_1	OC(CC(C)C)(C)C#C	C107540
FP4_1	O=C(C)OCC/C=C\CC	C3681718
FP4_1	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP4_1	CCC(c1ccccc1)CCC	C4468422
FP4_1	O=CCC/C=C\CCCCC	C21662099
FP4_1	O=c1ccoc(CC)c1O	C4940118
FP4_1	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_1	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_1	OCC[C@@H](C)CCC=C(C)C	C7540514
FP4_1	OC(CCCC(C)C=C)(C)C	C53219219
FP4_1	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP4_1	O=C(CCC)OCCCCC	C540181
FP4_1	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP4_1	O=C(C)OC(C)c1ccccc1	C93925
FP4_1	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_1	O=S(=O)(c1cc(C)ccc1C)O	C609541
FP4_1	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_1	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP4_1	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP4_1	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_1	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_1	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_1	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_1	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_1	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_1	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_1	OC1CC(C)(C)CC(C)C1	C116029
FP4_1	O=C1C(C(CC)C)CCCC1	C14765301
FP4_1	OP(OCC)OCC	C762049
FP4_1	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP4_1	OCCOCC(CC)CCCC	C1559359
FP4_1	O=C(CC)CCCCC	C106683
FP4_1	OCCN(CC)CCO	C139877
FP4_1	CCOC(OCC)OCC	C122510
FP4_1	CCO[Si](OCC)(OCC)CC	C78079
FP4_1	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP4_1	O=C(CCCCCCC)OCC(O)CO	C26402266
FP4_1	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP4_1	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
FP4_1	O=C(CCC)OCCCCCCC	C5870939
FP4_1	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP4_1	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP4_1	Oc1cc(C(C)C)ccc1C	C499752
FP4_1	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
FP4_1	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP4_1	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_1	CCCCCCCCCCCCN1CCOCC1	C1541817
FP4_1	CC(C)N(C(C)C)c1ccccc1	C4107986
FP4_1	OC(C)C(=O)OCCCC	C138227
FP4_1	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP4_1	OC(C)(C)CCCC(C)CC=O	C107755
FP4_1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP4_1	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP4_1	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP4_1	Oc1c(OCC)cccc1	C94713
FP4_1	Oc1ccc(C(C)C)cc1	C99898
FP4_1	COc1ccc(CCC)cc1	C104450
FP4_1	O[C@@H](C)C(=O)OCCCC	C34451199
FP4_1	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_1	CCCO[Si](OCCC)(OCCC)OCCC	C682019
FP4_1	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_1	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_1	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_1	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP4_1	CCO[Si](OCC)(C)OCC	C2031676
FP4_1	CCO[Si](CCCCC)(OCC)OCC	C2761242
FP4_1	CO[Si](OC)(CCC)OC	C1067250
FP4_1	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP4_1	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_1	O=C(C)OCCCCCCCC	C112141
FP4_1	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_1	Oc1c(C(C)C)cccc1	C88697
FP4_1	O=C1CCC(C(C)(C)C)CC1	C98533
FP4_1	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP4_1	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_1	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_1	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_1	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_1	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_1	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_1	Oc1cc(C(C)C)ccc1	C618451
FP4_1	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_1	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_1	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_1	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP4_1	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
FP4_1	OCC(CCCC)CCCCCC	C3913028
FP4_1	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_1	Oc1cc(C(C)(C)C)ccc1	C585342
FP4_1	O=C(CCCCCCCCC=C)OCC	C692864
FP4_1	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP4_1	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
FP4_1	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_1	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_1	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_1	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_1	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP4_1	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP4_1	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP4_1	O=C(c1ccccc1)OCCC(C)C	C94462
FP4_1	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_1	Oc1ccc(CCCC)cc1	C1638228
FP4_1	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_1	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_1	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_1	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_1	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP4_1	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
FP4_1	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_1	OCCOCC(C)OCCO	C9003116
FP4_1	O=C1OC(CCC)CC1	C105215
FP4_1	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP4_1	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP4_1	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP4_1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_1	Nc1ccc(CCC)cc1	C2696846
FP4_1	Nc1ccc(C(C)(C)C)cc1	C769926
FP4_1	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_1	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP4_1	Sc1ccc(C)cc1	C106456
FP4_1	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_1	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP4_1	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP4_1	Clc1ccc(CCCC)cc1	C15499271
FP4_1	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
FP4_1	O=C(CCCCCC)c1ccccc1	C1671756
FP4_1	Oc1ccc(OCCCCCC)cc1	C18979550
FP4_1	Sc1ccc(C(C)(C)C)cc1	C2396681
FP4_1	O=C1CCC(CCC)CC1	C40649363
FP4_1	Nc1ccc(cc1)OCCCC	C4344552
FP4_1	O=C(O)c1c(C)cc(C)cc1C	C480637
FP4_1	O=C(c1ccccc1)C(C)C	C611701
FP4_1	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_1	OC1CCC(CCCC)CC1	C70568604
FP4_1	Clc1ccc(CCCCC)cc1	C79098207
FP4_1	O=C(OC)c1c(C)cccc1	C89714
FP4_1	O=C(c1ccccc1)C(C)(C)C	C938169
FP4_1	O=C(OCC)c1ccc(C)cc1	C94086
FP4_1	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_1	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_1	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_1	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP4_1	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP4_1	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP4_1	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_1	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_1	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_1	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_1	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_1	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP4_1	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_1	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_1	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_1	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_1	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_1	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP4_1	CCOP(=S)(OCC)SCCSCC	C298044
FP4_1	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_1	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP4_1	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_1	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP4_1	CSC(=NOC(=O)NC)C	C16752775
FP4_1	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_1	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_1	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP4_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_1	O=C(C)NP(=O)(OC)SC	C30560191
FP4_1	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP4_1	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_1	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP4_1	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_1	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_1	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_1	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_1	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_1	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_1	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP4_1	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_1	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_1	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_1	CCCN(CCC)C(=O)SCC	C759944
FP4_1	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_1	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP4_1	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_1	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_1	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_1	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_1	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_1	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP4_1	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP4_1	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_1	O=C(SCC)N1CCCCCC1	C2212671
FP4_1	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP4_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_1	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_1	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_1	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_1	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_1	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_1	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_1	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_1	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_1	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP4_1	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_1	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_1	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_1	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP4_1	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_1	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_1	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_1	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_1	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_1	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP4_1	O=C(NCCCC)OCC#CI	C55406536
FP4_1	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_1	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_1	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_1	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_1	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_1	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP4_1	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_1	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_1	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_1	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_1	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_1	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_1	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_1	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_1	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_1	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_1	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_1	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_1	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_1	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_1	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_1	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_1	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_1	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_1	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_1	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_1	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_1	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_1	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_1	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_1	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_1	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_1	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_1	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_1	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_1	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP4_1	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP4_1	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_1	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_1	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP4_1	O=P(SCCC)(OCC)SCCC	C13194484
FP4_1	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_1	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_1	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP4_1	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_1	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_1	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_1	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_1	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_1	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_1	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_1	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP4_1	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_1	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_1	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP4_1	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_1	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_1	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_1	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_1	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_1	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_1	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP4_1	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP4_1	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_1	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_1	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_1	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_1	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP4_1	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_1	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_1	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_1	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_1	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_1	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_1	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_1	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_1	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_1	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_1	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_1	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_1	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_1	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_1	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_1	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_1	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_1	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_1	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_1	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP4_1	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_1	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_1	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_1	Clc1nc(NCC)nc(N)n1	C1007289
FP4_1	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_1	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_1	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_1	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_1	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP4_1	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_1	c1(ccc(cc1)O)NC(=O)C	C103902
FP4_1	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_1	C/C=C/c1ccc(cc1)OC	C4180238
FP4_1	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP4_1	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_1	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_1	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP4_1	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_1	CC(C)(C)c1cc(O)ccc1O	C1948330
FP4_1	C(c1ccc(O)cc1)(C)(C)C	C98544
FP4_1	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_1	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_1	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP4_1	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP4_1	Nc1cc(ccc1OC)C	C120718
FP4_1	Nc1c(ccc(c1)N)C	C95807
FP4_1	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_1	CC1CC(OC(O1)C)OC(=O)C	C828002
FP4_1	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_1	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
FP4_1	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_1	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_1	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP4_1	CCC(CCCC)CO	C104767
FP4_1	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP4_1	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
FP4_1	Oc1c(ccc(c1)O)CCCCCC	C136776
FP4_1	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_1	CC1(CC(=CC(=O)C1)C)C	C78591
FP4_1	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_1	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP4_1	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP4_1	Cc1c2c(ccc1)cccc2	C90120
FP4_1	Cc1cc2cccnc2cc1	C91623
FP4_1	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_1	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_1	O=NN(CCCC)CCCC	C924163
FP4_1	CCN(CC)N=O	C55185
FP4_1	O=NN(CCC)CCC	C621647
FP4_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_1	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_1	CC(=O)O[Hg]c1ccccc1	C62384
FP4_1	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_1	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_1	CC(CO)O	C57556
FP4_1	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_1	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_1	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_1	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_1	OC(=O)C=CC=CC	C110441
FP4_1	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP4_1	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP4_1	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_1	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_1	Cc1c(ccc(c1)C)C	C95636
FP4_1	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_1	NC(=O)OCC	C51796
FP4_1	OC(=O)CCC	C107926
FP4_1	CCCCOCCOCCO	C112345
FP4_1	CCCCCCCCCC(=O)O	C334485
FP4_1	CC(Cl)(Cl)C(=O)O	C75990
FP4_1	O=C(O)CCCCCC	C111148
FP4_1	CCCCCC(=O)O	C142621
FP4_1	CCCCCCCCC(=O)O	C112050
FP4_1	CCCCCCCCCCCCCCCCCC(=O)O	C57114
FP4_1	CCCCCCCC=O	C124130
FP4_1	CCCCCCCC(=O)O	C124072
FP4_1	CCCCC=O	C110623
FP4_1	CCCCCCCCCCC	C1120214
FP4_1	Oc1cc(C)c(Cl)cc1	C59507
FP4_1	CC1(C)NC(=O)NC1=O	C77714
FP4_1	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP4_1	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP4_1	CCN(CC)c1ccccc1	C91667
FP4_1	Oc1c(C)cccc1	C95487
FP4_1	CCC(=NO)C	C96297
FP4_1	c1ccccc1C(=O)C	C98862
FP4_1	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_1	CN(C)c1ccc(C)cc1	C99978
FP4_1	CCN(CCO)CC	C100378
FP4_1	CCNc1cc(C)ccc1	C102272
FP4_1	Oc1c(C)cc(C)cc1	C105679
FP4_1	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
FP4_1	Oc1ccc(C)cc1	C106445
FP4_1	Nc1ccc(C)cc1	C106490
FP4_1	CC(=O)OCCOCC	C111159
FP4_1	CCCCCCCCO	C111875
FP4_1	CCOCCOCCO	C111900
FP4_1	CCCCCCCCCCO	C112301
FP4_1	CCCCCCCCCCCCCO	C112709
FP4_1	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP4_1	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_1	Oc1c(C)cc(C)cc1C	C527606
FP4_1	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_1	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_1	Oc1c(C)c(C)ccc1C	C2416946
FP4_1	Oc1ccc(CCCCCCCC)cc1	C1806264
FP4_1	c1(c(O)cccc1)C(CC)C	C89725
FP4_1	c1(ccc(cc1)O)C(CC)C	C99718
FP4_1	Oc1ccc(C=CC)cc1OC	C97541
FP4_1	c1(CCCC)ccccc1	C104518
FP4_1	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP4_1	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP4_1	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_1	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_1	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_1	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP4_1	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_1	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_1	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_1	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_1	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_1	C(=O)(O)C(CCC)CCC	C99661
FP4_1	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_1	O=N(=O)c1ccc(C)cc1	C99990
FP4_1	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_1	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
FP4_1	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_1	Cc1ccccc1Cl	C95498
FP4_1	O=S(=O)(OCC)OCC	C64675
FP4_1	CP(=O)(OC(C)C)OC(C)C	C1445756
FP4_1	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
FP4_1	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
FP4_1	Oc1cc(C)c(C)cc1	C95658
FP4_1	Oc1c(cccc1C)C	C576261
FP4_1	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_1	CCOCCO	C110805
FP4_1	CCCCOCCO	C111762
FP4_1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_1	OCCOCCOCCOCC	C112505
FP4_1	O=C(SCCC)N(CCC)CCC	C1929777
FP4_1	ON=CC(C)(C)SC	C1646759
FP4_1	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_1	Oc1c(ccc(N)c1)C	C2835952
FP4_1	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP4_1	Cc1ccc(Cl)cc1	C106434
FP4_1	O=CC=C(C)CCC=C(C)C	C5392405
FP4_1	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP4_1	O(O)C(c1ccccc1)(C)C	C80159
FP4_1	C(CCCCCCCC)C	C124185
FP4_1	Nc1cc(C)ccc1N	C496720
FP4_1	O(OC(C)(C)C)C(C)(C)C	C110054
FP4_1	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_1	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP4_1	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP4_1	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
FP4_1	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_1	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_1	Oc1c(ccc(C)c1)C	C95874
FP4_1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_1	N(c1ccccc1)CC	C103695
FP4_1	O=C(O)C(CCCC)CC	C149575
FP4_1	C(CC(C)C)OC(=O)C	C123922
FP4_1	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP4_1	o1c(C)c(O)c(=O)cc1	C118718
FP4_1	C(=C)(C=C)CCC=C(C)C	C123353
FP4_1	[N+](=O)([O-])c1ccccc1C	C88722
FP4_1	O=c1ccsn1CCCCCCCC	C26530201
FP4_1	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_1	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_1	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP4_1	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP4_1	Nc1c(cccc1)C	C95534
FP4_1	N(CCCC)(CCCC)CCCC	C102829
FP4_1	O=C(OCCOCCOCCOC(=O)C)C	C111217
FP4_1	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP4_1	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_1	Nc1c(cccc1C)C	C87627
FP4_1	Oc1c(C(C)(C)C)cccc1	C88186
FP4_1	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP4_1	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP4_1	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP4_1	CC(C)c1cccc(C(C)C)c1	C99627
FP4_1	CC(C)c1ccc(C)cc1	C99876
FP4_1	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP4_1	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
FP4_1	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
FP4_1	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP4_1	OCCC(C)CCC=C(C)C	C106229
FP4_1	OC/C=C(\C)/CCC=C(C)C	C106241
FP4_1	OC/C=C(/C)\CCC=C(C)C	C106252
FP4_1	OCCC(O)C	C107880
FP4_1	OC(CC(C)C)C	C108112
FP4_1	Nc1cccc(C)c1	C108441
FP4_1	Cc1cc(C)cc(C)c1	C108678
FP4_1	O=C(OC)CCCCCCC	C111115
FP4_1	O=C(OC)CCCCCCCCCCC	C111820
FP4_1	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_1	OCCOCCCCCC	C112254
FP4_1	OCCCCCCCCCCC	C112425
FP4_1	OCCCCCCCCCCCC	C112538
FP4_1	OCCCCCCCCCCCCCC	C112721
FP4_1	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP4_1	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP4_1	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_1	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP4_1	CCCCCCCCCCCCCCCC	C544763
FP4_1	Nc1c(CC)cccc1CC	C579668
FP4_1	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_1	O=C(C)OCCCCC	C628637
FP4_1	CCCCCCCCCCCCCCC	C629629
FP4_1	OCCCCCCCCCCCCCCC	C629765
FP4_1	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP4_1	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
FP4_1	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_1	Nc1cccc(C)c1N	C2687254
FP4_1	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_1	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_1	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP4_1	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP4_1	OC(OC(O)CC)CC	C25265718
FP4_1	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP4_1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP4_1	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP4_1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP4_1	O=C(OCCCCCC(C)C)C=C	C29590429
FP4_1	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP4_1	OC(OCCCOC)CC	C34590948
FP4_1	OCCCCCCCCCCCCCCCC	C36653824
FP4_1	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP4_1	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP4_1	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP4_1	CCC12N(COC1)COC2	C7747355
FP4_1	OCC(C)OCC(OCC(OC)C)C	C25498491
FP4_1	O=C(N)C(=C)C	C79390
FP4_1	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP4_1	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_1	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP4_1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_1	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_1	S=P(OCC)(OCC)SCSCC	C298022
FP4_1	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_1	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP4_1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
FP4_1	O=C1CCC(O1)CCCCCCC	C104676
FP4_1	Oc1cc(C)ccc1C(C)C	C89838
FP4_1	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_1	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
FP4_1	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_1	CCCCCCCCN(C)C	C7378996
FP4_1	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP4_1	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_1	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP4_1	O=C(OCC)CCC(=O)OCC	C123251
FP4_1	O=C(CCC)OCC	C105544
FP4_1	O=C(OCC)CCCCCC	C106309
FP4_1	O=C(OCCCC)c1ccccc1	C136607
FP4_1	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP4_1	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_1	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_1	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP4_1	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_1	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP4_1	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP4_1	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP4_1	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
FP4_1	O=C(CCC)OCCC(C)C	C106274
FP4_1	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_1	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
FP4_1	CCCCCCCCN(CCCCCCCC)C	C4455269
FP4_1	CCCc1ccccc1	C103651
FP4_1	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_1	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_1	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP4_1	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP4_1	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_1	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_1	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP4_1	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_1	CC(C)(C)c1ccccc1	C98066
FP4_1	O=C(C)NC	C79163
FP4_1	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_1	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_1	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_1	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_1	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_1	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_1	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_1	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_1	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_1	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_1	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_1	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_1	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_1	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_1	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_1	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_1	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_1	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP4_1	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_1	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP4_1	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_1	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP4_1	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_1	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_1	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_1	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_1	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_1	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_1	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_1	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_1	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_1	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_1	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_1	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_1	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_1	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_1	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_1	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_1	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_1	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_1	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_1	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_1	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_1	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_1	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP4_1	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP4_1	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_1	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP4_1	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP4_1	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_1	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_1	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_1	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_1	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_1	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_1	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_1	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_1	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_1	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
FP4_1	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP4_1	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_1	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
FP4_1	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP4_1	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP4_1	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP4_1	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
FP4_1	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
FP4_1	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP4_1	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
FP4_1	CCCCCCCCCCCCc1ccccc1	C123013
FP4_1	C=CCCCCCCCCCCCC	C1120361
FP4_1	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_1	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP4_1	OC(C(CC)CCCC)C#C	C5877429
FP4_1	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_1	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_1	C(=O)(C)O	C64197
FP4_1	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_1	C(CO)C(C)C	C123513
FP4_1	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_1	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_1	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_1	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
FP4_1	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_1	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP4_1	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_1	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_1	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_1	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_1	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_1	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_1	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_1	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_1	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_1	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_1	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_1	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_1	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_1	OCCC(OC)C	C2517433
FP4_1	S=C(NCCCC)NCCCC	C109466
FP4_1	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP4_1	O=CCC(C)CCC=C(C)C	C106230
FP4_1	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_1	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_1	O=COCC	C109944
FP4_1	O=C(OCC)c1ccccc1	C93890
FP4_1	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP4_1	CC1(C)C2C(=CCC1C2)C	C80568
FP4_1	CCN(CC)CC	C121448
FP4_1	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_1	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_1	CC(=O)OCC	C141786
FP4_1	CC(=O)OCCCC	C123864
FP4_1	CC(=O)CCC(C)C	C110123
FP4_1	n1cc(C)ccc1	C108996
FP4_1	CC(=O)CC(C)C	C108101
FP4_1	CC(C)C=O	C78842
FP4_1	CCCCCC=O	C66251
FP4_1	CCCC=O	C123728
FP4_1	CC(CN(CC(C)O)CC(C)O)O	C122203
FP4_1	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP4_1	CCC1CO1	C106887
FP4_1	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP4_1	CC1CC(=O)O1	C3068880
FP4_1	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_1	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_1	O=C(/C=C\C(=O)OCC)OCC	C141059
FP4_1	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_1	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP4_1	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP4_1	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP4_1	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_1	CC(c1ccc(CO)cc1)C	C536607
FP4_1	CC(=O)C(=O)O	C127173
FP4_1	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP4_1	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_1	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_1	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP4_1	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_1	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_1	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP4_1	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_1	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP4_1	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_1	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_1	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP4_1	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
FP4_1	O=CC=CC=CCCCCC	C25152845
FP4_1	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_1	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
FP4_1	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP4_1	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_1	CCCCCc1cc(O)cc(O)c1	C500663
FP4_1	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_1	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP4_1	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_1	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP4_1	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP4_1	OCC=C(C)C	C556821
FP4_1	ClC(=O)C(CC)CCCC	C760678
FP4_1	O=C(O)C(=O)C(C)(C)C	C815178
FP4_1	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
FP4_1	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP4_1	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_1	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
FP4_1	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_1	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
FP4_1	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP4_1	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_1	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_1	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_1	O=c1cc(C)o[nH]1	C10004441
FP4_1	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_1	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_1	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_1	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP4_1	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP4_1	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP4_1	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_1	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP4_1	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_1	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_1	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_1	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP4_1	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP4_1	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP4_1	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_1	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_1	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_1	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP4_1	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP4_1	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_1	Br[Sn](CC)(CC)CC	C2767546
FP4_1	O=P(OCCCC)(O)OCCCC	C107664
FP4_1	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_1	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_1	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP4_1	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_1	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP4_1	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP4_1	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP4_1	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP4_1	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_1	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP4_1	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_1	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_1	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_1	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP4_1	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_1	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_1	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP4_1	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_1	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_1	N#CSCCCCCCCCCCCC	C765151
FP4_1	OCCN(CCCCCCCCCCCC)CCO	C1541679
FP4_1	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP4_1	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_1	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_1	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_1	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_1	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_1	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_1	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_1	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_1	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_1	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_1	CCCCCCCCCCCCN.Cl	C929737
FP4_1	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_1	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_1	BrCCCCCCCCCCCC	C143157
FP4_1	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP4_1	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP4_1	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_1	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_1	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP4_1	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP4_1	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_1	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP4_1	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP4_1	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_1	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
FP4_1	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP4_1	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP4_1	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP4_1	NCCCOCCCCCCCC	C15930662
FP4_1	Nc1cccc(C)n1	C1824813
FP4_1	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP4_1	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP4_1	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
FP4_1	CC1COc2ccccc2N1	C32329207
FP4_1	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP4_1	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP4_1	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP4_1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_1	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_1	O=C/C=C/CCCCCCC	C3913813
FP4_1	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP4_1	COC(OC)C(C)c1ccccc1	C90879
FP4_1	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP4_1	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_1	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP4_1	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP4_1	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP4_1	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP4_1	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP4_1	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP4_1	CC/C=C\CCOC(OCC)C	C28069741
FP4_1	CC1(C)C2CC(=CCC12)C	C13466789
FP4_1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_1	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP4_1	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_1	O=C(O)CSCCCCCCCCCCC	C116296312
FP4_1	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_1	CCCCCCCCCC(C)C=O	C110418
FP4_1	CCCCCc1ccco1	C3777693
FP4_1	CCC(=O)C(=O)CC	C4437518
FP4_1	OC1(C)SCC(O)(C)SC1	C55704784
FP4_1	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_2	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP4_2	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_2	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP4_2	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_2	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP4_2	O=C1CCCCC1	C108941
FP4_2	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_2	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP4_2	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP4_2	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP4_2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_2	C=CCc1ccc(cc1)OC	C140670
FP4_2	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_2	CC1(C)OC2(C)CCC1CC2	C470826
FP4_2	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_2	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_2	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP4_2	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_2	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP4_2	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_2	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP4_2	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP4_2	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP4_2	O=NN1CCCC1	C930552
FP4_2	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_2	O=C(N(CCCC)CC)SCCC	C1114712
FP4_2	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_2	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP4_2	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_2	O=CCc1ccccc1	C122781
FP4_2	OCCOCCOCCOCCCC	C143226
FP4_2	CCCCCCCCCC=O	C112312
FP4_2	CCCCCCCCCCCC(=O)O	C143077
FP4_2	O=CCCCCCC	C111717
FP4_2	OC(=O)CCCCCCCCCCCCCCC	C57103
FP4_2	CCCCCCCCC=O	C124196
FP4_2	O=C(O)CCCCCCCC(=O)O	C123999
FP4_2	OC(=O)CCCC	C109524
FP4_2	O=C(O)CCCCCCCCCCCCC	C544638
FP4_2	OCCC	C71238
FP4_2	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_2	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP4_2	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP4_2	ON=C1CCCCC1	C100641
FP4_2	Nc1ccc(CCCC)cc1	C104132
FP4_2	CCOC(=O)CC(=O)OCC	C105533
FP4_2	CC(O)CC(C)(C)O	C107415
FP4_2	CCCC(=O)C	C107879
FP4_2	C1CCCCC1O	C108930
FP4_2	N#CCC#N	C109773
FP4_2	CCCCCC(=O)C	C110430
FP4_2	CCCCCCO	C111273
FP4_2	CCCCCCCO	C111706
FP4_2	CCCCCCCCCC(=O)C	C112129
FP4_2	Oc1ccc(CC)cc1	C123079
FP4_2	CCCCCC(=O)OCC	C123660
FP4_2	CCCCCCCCCCCCN	C124221
FP4_2	CCCCCCCCCO	C143088
FP4_2	Oc1ccc(CCC)cc1	C645567
FP4_2	CCCCCCC1OC(=O)CC1	C706149
FP4_2	CC/C=C\CCO	C928961
FP4_2	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
FP4_2	CCCCCCCCCCN	C2016571
FP4_2	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP4_2	Nc1ccc(OCCCCCC)cc1	C39905572
FP4_2	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP4_2	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP4_2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_2	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_2	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP4_2	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP4_2	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_2	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP4_2	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_2	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP4_2	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP4_2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_2	c1(c(CC)cccc1)O	C90006
FP4_2	c1c(O)cccc1CC	C620177
FP4_2	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP4_2	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP4_2	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_2	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_2	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP4_2	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_2	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_2	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_2	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_2	C(=O)(O)CCC(=O)O	C110156
FP4_2	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP4_2	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_2	ON=CCCC	C110690
FP4_2	OCCCCO	C110634
FP4_2	O=C(OCCCC)C=C	C141322
FP4_2	C(OCCCC)C1CO1	C2426086
FP4_2	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP4_2	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP4_2	C(C(=O)C)C(C)(C)O	C123422
FP4_2	C(CCN)CCCN	C124094
FP4_2	N#CC(Br)(CCC#N)CBr	C35691657
FP4_2	N(C1CCCCC1)C1CCCCC1	C101837
FP4_2	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP4_2	C12C3C=CC(C3)C1C=CC2	C77736
FP4_2	O=C(CC(C)C)CC(C)C	C108838
FP4_2	N(CCCN)(C)C	C109557
FP4_2	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_2	C(CCCCCC)CCCCCS	C112550
FP4_2	C(CC)(C=O)CCCC	C123057
FP4_2	OCC(C(O)CCC)CC	C94962
FP4_2	CCC(=CCCC)C=O	C645625
FP4_2	O=C(OCC(CCCC)CC)C=C	C103117
FP4_2	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_2	CC=C1CC2C=CC1C2	C16219753
FP4_2	O=CCCCC=O	C111308
FP4_2	O=C(OCCCCCC)c1ccccc1	C6789884
FP4_2	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_2	OC(C=C)(CCC=C(C)C)C	C78706
FP4_2	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP4_2	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP4_2	N#CC(CCC#N)C	C4553622
FP4_2	C(CCCCCCC)C	C111842
FP4_2	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP4_2	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_2	c12ccccc1CCCC2	C119642
FP4_2	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_2	OCCc1ccccc1	C60128
FP4_2	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
FP4_2	CC1(C(=C)C2CCC1C2)C	C79925
FP4_2	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP4_2	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP4_2	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP4_2	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP4_2	OC1CCC(C(C)(C)C)CC1	C98522
FP4_2	O=C(C)OCC(CC)CCCC	C103093
FP4_2	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
FP4_2	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
FP4_2	O=C(OC)CCCCCCCCC	C110429
FP4_2	O=C(O)CCCCCCCCC(=O)O	C111206
FP4_2	N1CCCCCC1	C111499
FP4_2	O=C(C)OCCOCCCC	C112072
FP4_2	CCCCCCCCCCCCN(C)C	C112185
FP4_2	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
FP4_2	OC(CCCCCC)C	C123966
FP4_2	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_2	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_2	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_2	C1=CC=CC1	C542927
FP4_2	CC1=CCC(=C(C)C)CC1	C586629
FP4_2	O=C1NCCC1	C616455
FP4_2	Cl[Sn](CCCC)(Cl)CCCC	C683181
FP4_2	NCCC[Si](OCC)(OCC)OCC	C919302
FP4_2	O=C(N(C)C)CCCCCCC	C1118929
FP4_2	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP4_2	OCCOCCOCCOCCOCCCC	C1559348
FP4_2	Oc1cccc2c1OC(C)(C)C2	C1563388
FP4_2	OC1CCCCCCCCCCC1	C1724396
FP4_2	NCCNCCC[Si](OC)(OC)OC	C1760243
FP4_2	O=C(N(C)C)CC(=O)C	C2044646
FP4_2	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP4_2	OCCOCCC	C2807309
FP4_2	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_2	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
FP4_2	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP4_2	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP4_2	O=C(CS)OCC(CC)CCCC	C7659861
FP4_2	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP4_2	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP4_2	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP4_2	Nc1c(C)cccc1CC	C24549062
FP4_2	OC(OCC(OC(O)CC)C)CC	C24800440
FP4_2	SC(C)(C)CCCCCC	C25360105
FP4_2	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP4_2	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP4_2	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_2	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP4_2	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
FP4_2	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP4_2	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP4_2	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP4_2	C1(CO1)COCCCCCCCCCCCC	C68609972
FP4_2	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP4_2	OC(CCCC(C)C)(C)CC	C78693
FP4_2	OCC1OCCC1	C97994
FP4_2	O=C1CCCC1	C120923
FP4_2	CCCCCC(=Cc1ccccc1)C=O	C122407
FP4_2	OC(CC(C)CC(C)C)CC(C)C	C123171
FP4_2	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_2	Cl[Sn](Cl)(Cl)CCCC	C1118463
FP4_2	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_2	OC(C)COCCC	C1569013
FP4_2	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
FP4_2	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP4_2	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
FP4_2	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_2	OCC(CCC)CCCCC	C10042598
FP4_2	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP4_2	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP4_2	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP4_2	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_2	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP4_2	CC(=C)C1CC=C(C)CC1	C138863
FP4_2	OC1CC(CCC1C(C)C)C	C1490046
FP4_2	OCCC(C)CC(C)(C)C	C3452979
FP4_2	OC(OCCCC)CC	C29387868
FP4_2	O=C(C)OCCC(C)C(CC)CC	C108419336
FP4_2	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP4_2	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_2	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_2	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
FP4_2	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_2	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP4_2	OCCSCCCCCCCC	C3547339
FP4_2	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_2	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP4_2	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_2	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_2	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_2	OC1CCCC1	C96413
FP4_2	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_2	CCCCCCCCCc1ccc(O)cc1	C104405
FP4_2	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_2	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_2	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_2	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP4_2	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_2	O=C1OC(CCCCC)CC1	C104610
FP4_2	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_2	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_2	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_2	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP4_2	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_2	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_2	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_2	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_2	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP4_2	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP4_2	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_2	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_2	OC(CCCCC)C=C	C3391864
FP4_2	OCCCCCCC/C=C/C=C/C	C33956499
FP4_2	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_2	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_2	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP4_2	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP4_2	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_2	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_2	CC(=CCCC(=CC#N)C)C	C5146667
FP4_2	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP4_2	O=C1N(CCCCCCCC)CCC1	C2687947
FP4_2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_2	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_2	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP4_2	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_2	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP4_2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_2	Oc1ccc(CCCCCCC)cc1	C1987504
FP4_2	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP4_2	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP4_2	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP4_2	O=C(O)c1ccccc1OCCCCCC	C6259763
FP4_2	O=C(CC)OCC	C105373
FP4_2	O=C1OCC(CC)O1	C4437858
FP4_2	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_2	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP4_2	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_2	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
FP4_2	Nc1ccc(CCCCC)cc1	C33228443
FP4_2	Nc1ccc(CCCCCC)cc1	C33228454
FP4_2	OC1CCC(C(CC)(C)C)CC1	C5349519
FP4_2	O=C1CCC(C2CCCCC2)CC1	C92682
FP4_2	OC1CCC(C2CCCCC2)CC1	C2433149
FP4_2	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_2	OC(C)(C)C1CC=C(C)CC1	C8000417
FP4_2	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
FP4_2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP4_2	CC(C)C1=CCC(=CC1)C	C99854
FP4_2	CC1=CC=C(C(C)C)CC1	C99865
FP4_2	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP4_2	OCC(CCCCCC)CCCCCCCC	C2425776
FP4_2	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP4_2	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP4_2	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP4_2	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_2	O=C1CCC(O1)CC	C695067
FP4_2	O=C1OC(CCCCCC)(C)CC1	C7011838
FP4_2	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_2	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP4_2	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_2	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP4_2	OC(CCCC(C)C)(C)C	C13254347
FP4_2	O=C/C=C/CCC	C6728263
FP4_2	O1C=CCCC1	C110872
FP4_2	O=C(CC(C)C)OCC(C)CC	C2445774
FP4_2	OC(CC(C)C)(C)C#C	C107540
FP4_2	O=C(C)OCC/C=C\CC	C3681718
FP4_2	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP4_2	CCC(c1ccccc1)CCC	C4468422
FP4_2	O=CCC/C=C\CCCCC	C21662099
FP4_2	O=c1ccoc(CC)c1O	C4940118
FP4_2	NCCCN1CCOCC1	C123002
FP4_2	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_2	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_2	OCC[C@@H](C)CCC=C(C)C	C7540514
FP4_2	OC(CCCC(C)C=C)(C)C	C53219219
FP4_2	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP4_2	O=C(CCC)OCCCCC	C540181
FP4_2	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP4_2	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP4_2	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_2	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_2	OC1CC(C)(C)CC(C)C1	C116029
FP4_2	O=C1C(C(CC)C)CCCC1	C14765301
FP4_2	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP4_2	c1(Cc2ccccc2)ccccc1	C101815
FP4_2	OCCOCC(CC)CCCC	C1559359
FP4_2	O=C(CC)CCCCC	C106683
FP4_2	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP4_2	O=C(CCCCCCC)OCC(O)CO	C26402266
FP4_2	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP4_2	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
FP4_2	O=C(CCC)OCCCCCCC	C5870939
FP4_2	c12ccccc1CC=C2	C95136
FP4_2	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP4_2	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP4_2	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
FP4_2	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP4_2	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_2	CCCCCCCCCCCCN1CCOCC1	C1541817
FP4_2	OC(C)C(=O)OCCCC	C138227
FP4_2	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP4_2	OC(C)(C)CCCC(C)CC=O	C107755
FP4_2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP4_2	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP4_2	COc1ccc(CCC)cc1	C104450
FP4_2	O[C@@H](C)C(=O)OCCCC	C34451199
FP4_2	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_2	CCCO[Si](OCCC)(OCCC)OCCC	C682019
FP4_2	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_2	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_2	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
FP4_2	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP4_2	CCO[Si](CCCCC)(OCC)OCC	C2761242
FP4_2	CO[Si](OC)(CCC)OC	C1067250
FP4_2	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP4_2	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_2	O=C(C)OCCCCCCCC	C112141
FP4_2	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_2	O=C1CCC(C(C)(C)C)CC1	C98533
FP4_2	O=C(c1ccccc1)Cc1ccccc1	C451401
FP4_2	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_2	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_2	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_2	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_2	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP4_2	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP4_2	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
FP4_2	OCC(CCCC)CCCCCC	C3913028
FP4_2	O=C(CCCCCCCCC=C)OCC	C692864
FP4_2	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP4_2	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
FP4_2	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_2	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_2	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_2	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_2	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP4_2	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP4_2	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP4_2	O=C(c1ccccc1)OCCC(C)C	C94462
FP4_2	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_2	Oc1ccc(CCCC)cc1	C1638228
FP4_2	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_2	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_2	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP4_2	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_2	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP4_2	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
FP4_2	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP4_2	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_2	O=C1OC(CCC)CC1	C105215
FP4_2	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP4_2	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP4_2	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP4_2	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_2	Nc1ccc(CCC)cc1	C2696846
FP4_2	O=C(C1CCCCC1)c1ccccc1	C712505
FP4_2	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP4_2	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_2	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP4_2	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_2	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP4_2	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_2	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP4_2	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP4_2	Clc1ccc(CCCC)cc1	C15499271
FP4_2	O=C(CCCCCC)c1ccccc1	C1671756
FP4_2	Oc1ccc(OCCCCCC)cc1	C18979550
FP4_2	O=C1CCC(CCC)CC1	C40649363
FP4_2	Nc1ccc(cc1)OCCCC	C4344552
FP4_2	O=C(c1ccccc1)C1CCC1	C5407987
FP4_2	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_2	OC1CCC(CCCC)CC1	C70568604
FP4_2	Clc1ccc(CCCCC)cc1	C79098207
FP4_2	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP4_2	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_2	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_2	O=C(CCC(=O)O)NN(C)C	C1596845
FP4_2	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP4_2	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_2	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_2	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP4_2	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_2	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_2	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_2	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP4_2	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_2	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP4_2	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP4_2	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP4_2	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_2	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_2	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_2	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP4_2	CCCN(CCC)C(=O)SCC	C759944
FP4_2	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_2	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_2	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_2	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_2	O=C(SCC)N1CCCCCC1	C2212671
FP4_2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_2	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_2	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_2	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_2	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP4_2	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_2	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_2	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_2	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP4_2	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_2	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP4_2	O=C(NCCCC)OCC#CI	C55406536
FP4_2	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_2	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_2	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_2	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_2	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_2	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_2	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_2	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_2	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_2	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_2	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_2	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_2	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_2	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_2	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_2	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_2	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_2	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_2	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP4_2	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_2	O=P(SCCC)(OCC)SCCC	C13194484
FP4_2	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_2	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_2	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_2	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_2	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP4_2	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_2	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_2	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_2	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_2	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP4_2	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP4_2	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_2	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_2	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_2	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_2	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_2	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_2	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_2	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_2	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_2	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_2	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_2	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP4_2	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_2	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_2	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_2	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP4_2	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP4_2	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_2	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP4_2	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_2	O=C1CCCO1	C96480
FP4_2	O=C1CCCCCN1	C105602
FP4_2	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_2	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
FP4_2	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP4_2	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_2	CC1CC(OC(O1)C)OC(=O)C	C828002
FP4_2	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_2	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_2	O1C2C1CCC(C2)C1CO1	C106876
FP4_2	CCC(CCCC)CO	C104767
FP4_2	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP4_2	Oc1c(cc(cc1)CC=C)OC	C97530
FP4_2	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
FP4_2	Oc1c(ccc(c1)O)CCCCCC	C136776
FP4_2	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_2	CC1(CC(=CC(=O)C1)C)C	C78591
FP4_2	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_2	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_2	O=C1N(CCC1)C	C872504
FP4_2	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP4_2	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP4_2	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
FP4_2	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
FP4_2	CN1CCC[C@H]1c1cnccc1	C54115
FP4_2	O=NN(CCCC)CCCC	C924163
FP4_2	O=NN(CCC)CCC	C621647
FP4_2	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_2	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_2	O=S1(=O)CCCO1	C1120714
FP4_2	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_2	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_2	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_2	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_2	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_2	C=CCc1ccc2c(c1)OCO2	C94597
FP4_2	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP4_2	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_2	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_2	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_2	O=C1N(C=C)CCC1	C88120
FP4_2	OC(=O)CCC	C107926
FP4_2	CCCCOCCOCCO	C112345
FP4_2	CCCCCCCCCC(=O)O	C334485
FP4_2	O=C(O)CCCCCC	C111148
FP4_2	OC(=O)CCCCC(=O)O	C124049
FP4_2	CCCCCC(=O)O	C142621
FP4_2	CCCCCCCCC(=O)O	C112050
FP4_2	CCCCCCCCCCCCCCCCCC(=O)O	C57114
FP4_2	CCCCCCCC=O	C124130
FP4_2	CCCCCCCC(=O)O	C124072
FP4_2	CCCCC=O	C110623
FP4_2	CCCCCCCCCCC	C1120214
FP4_2	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP4_2	c1ccc2cccc3c2c1CC3	C83329
FP4_2	CCC(=NO)C	C96297
FP4_2	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
FP4_2	N#CCCCCC#N	C111693
FP4_2	CCCCCCCCO	C111875
FP4_2	CCCCCCCCCCO	C112301
FP4_2	CCCCCCCCCCCCCO	C112709
FP4_2	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP4_2	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_2	Oc1ccc(CCCCCCCC)cc1	C1806264
FP4_2	c1(c(O)cccc1)C(CC)C	C89725
FP4_2	c1(ccc(cc1)O)C(CC)C	C99718
FP4_2	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
FP4_2	c1(CCCC)ccccc1	C104518
FP4_2	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_2	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP4_2	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP4_2	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_2	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_2	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_2	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_2	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP4_2	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_2	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_2	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_2	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_2	C(=O)(O)C(CCC)CCC	C99661
FP4_2	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_2	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP4_2	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
FP4_2	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_2	NC1CCCCC1	C108918
FP4_2	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP4_2	CCCCOCCO	C111762
FP4_2	c1cccc2Cc3ccccc3c12	C86737
FP4_2	O=C=NCCCCCCN=C=O	C822060
FP4_2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_2	O=C(SCCC)N(CCC)CCC	C1929777
FP4_2	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP4_2	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP4_2	O=CC=C(C)CCC=C(C)C	C5392405
FP4_2	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP4_2	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_2	C(CCCCCCCC)C	C124185
FP4_2	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP4_2	C(CCCC(=O)OC)C(=O)OC	C627930
FP4_2	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
FP4_2	COC(=O)CCCC(=O)OC	C1119400
FP4_2	C(=O)(OC)CCC(=O)OC	C106650
FP4_2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_2	O=C(O)C(CCCC)CC	C149575
FP4_2	C(CC(C)C)OC(=O)C	C123922
FP4_2	O(C)c1cc(CC=C)ccc1OC	C93152
FP4_2	C(=C)(C=C)CCC=C(C)C	C123353
FP4_2	O=c1ccsn1CCCCCCCC	C26530201
FP4_2	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_2	N(CCCC)(CCCC)CCCC	C102829
FP4_2	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP4_2	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP4_2	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP4_2	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP4_2	OCCC(C)CCC=C(C)C	C106229
FP4_2	OC/C=C(\C)/CCC=C(C)C	C106241
FP4_2	OC/C=C(/C)\CCC=C(C)C	C106252
FP4_2	OCCC(O)C	C107880
FP4_2	OC(CC(C)C)C	C108112
FP4_2	O=C(OC)CCCCCCC	C111115
FP4_2	O=C(OC)CCCCCCCCCCC	C111820
FP4_2	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_2	OCCOCCCCCC	C112254
FP4_2	OCCCCCCCCCCC	C112425
FP4_2	OCCCCCCCCCCCC	C112538
FP4_2	OCCCCCCCCCCCCCC	C112721
FP4_2	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP4_2	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP4_2	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_2	CCCCCCCCCCCCCCCC	C544763
FP4_2	Nc1c(CC)cccc1CC	C579668
FP4_2	O=C(C)OCCCCC	C628637
FP4_2	CCCCCCCCCCCCCCC	C629629
FP4_2	OCCCCCCCCCCCCCCC	C629765
FP4_2	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP4_2	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
FP4_2	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_2	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_2	C1=CCCC=CCCC=CCC1	C4904614
FP4_2	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP4_2	O=C(O)C(O)CC(=O)O	C6915157
FP4_2	OC(OC(O)CC)CC	C25265718
FP4_2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP4_2	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP4_2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP4_2	O=C(OCCCCCC(C)C)C=C	C29590429
FP4_2	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP4_2	OC(OCCCOC)CC	C34590948
FP4_2	OCCCCCCCCCCCCCCCC	C36653824
FP4_2	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP4_2	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP4_2	O=C(OC)CC(=O)OC	C108598
FP4_2	CCC12N(COC1)COC2	C7747355
FP4_2	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
FP4_2	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP4_2	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_2	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_2	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_2	O=C1CCC(O1)CCCCCCC	C104676
FP4_2	O=C(O)CCCCCCCCC=C	C112389
FP4_2	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
FP4_2	CCCCCCCCN(C)C	C7378996
FP4_2	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP4_2	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_2	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_2	O=C(OCC)CCC(=O)OCC	C123251
FP4_2	O=C(CCC)OCC	C105544
FP4_2	O=C(OCC)CCCCCC	C106309
FP4_2	O=C(OCCCC)c1ccccc1	C136607
FP4_2	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP4_2	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_2	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_2	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_2	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP4_2	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
FP4_2	O=C(CCC)OCCC(C)C	C106274
FP4_2	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
FP4_2	CCCCCCCCN(CCCCCCCC)C	C4455269
FP4_2	CCCc1ccccc1	C103651
FP4_2	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_2	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_2	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP4_2	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_2	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_2	CN(C)CCCN(C)CCCN(C)C	C3855321
FP4_2	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
FP4_2	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP4_2	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_2	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_2	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP4_2	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_2	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_2	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP4_2	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_2	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP4_2	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_2	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_2	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP4_2	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_2	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_2	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_2	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_2	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_2	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_2	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_2	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_2	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP4_2	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_2	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP4_2	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP4_2	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_2	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_2	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_2	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_2	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP4_2	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_2	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP4_2	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_2	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_2	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_2	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_2	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP4_2	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_2	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_2	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_2	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_2	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_2	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_2	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_2	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_2	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_2	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_2	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_2	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_2	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_2	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP4_2	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_2	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_2	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_2	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_2	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_2	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP4_2	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP4_2	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_2	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP4_2	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_2	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP4_2	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_2	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP4_2	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP4_2	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_2	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_2	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_2	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_2	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_2	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_2	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_2	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_2	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_2	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_2	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_2	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_2	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_2	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
FP4_2	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP4_2	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP4_2	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_2	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
FP4_2	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP4_2	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP4_2	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP4_2	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
FP4_2	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
FP4_2	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP4_2	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP4_2	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP4_2	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP4_2	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
FP4_2	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_2	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP4_2	C1(CCCCC1)SSC1CCCCC1	C2550405
FP4_2	CCCCCCCCCCCCc1ccccc1	C123013
FP4_2	C=CCCCCCCCCCCCC	C1120361
FP4_2	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_2	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP4_2	OC(C(CC)CCCC)C#C	C5877429
FP4_2	OCCCBr	C627189
FP4_2	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_2	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_2	C(CO)C(C)C	C123513
FP4_2	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_2	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_2	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_2	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
FP4_2	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_2	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_2	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_2	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP4_2	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_2	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_2	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_2	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_2	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_2	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_2	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_2	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_2	OCCC(OC)C	C2517433
FP4_2	S=C(NCCCC)NCCCC	C109466
FP4_2	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP4_2	O=CCC(C)CCC=C(C)C	C106230
FP4_2	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_2	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP4_2	O=CCCSC	C3268493
FP4_2	CC1(C)C2C(=CCC1C2)C	C80568
FP4_2	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_2	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_2	CC(=O)OCCCC	C123864
FP4_2	CC(=O)CCC(C)C	C110123
FP4_2	CC(=O)CC(C)C	C108101
FP4_2	CCCCCC=O	C66251
FP4_2	CCCC=O	C123728
FP4_2	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP4_2	CCC1CO1	C106887
FP4_2	CC1CC(=O)O1	C3068880
FP4_2	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_2	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_2	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP4_2	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_2	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP4_2	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP4_2	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_2	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP4_2	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP4_2	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_2	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_2	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_2	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_2	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_2	N(=C=NC1CCCCC1)C1CCCCC1	C538750
FP4_2	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
FP4_2	O=CC=CC=CCCCCC	C25152845
FP4_2	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
FP4_2	CCCCCc1cc(O)cc(O)c1	C500663
FP4_2	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP4_2	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_2	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP4_2	ClC(=O)C(CC)CCCC	C760678
FP4_2	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
FP4_2	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP4_2	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_2	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_2	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP4_2	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_2	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_2	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_2	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_2	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_2	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
FP4_2	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_2	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_2	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_2	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP4_2	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP4_2	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP4_2	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_2	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP4_2	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_2	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP4_2	O=CCCCCCCCCC=C	C112458
FP4_2	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_2	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_2	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_2	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP4_2	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_2	O=P(OCCCC)(O)OCCCC	C107664
FP4_2	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
FP4_2	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_2	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_2	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP4_2	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP4_2	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_2	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_2	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_2	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_2	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP4_2	N#CSCCCCCCCCCCCC	C765151
FP4_2	OCCN(CCCCCCCCCCCC)CCO	C1541679
FP4_2	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_2	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP4_2	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_2	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_2	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_2	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_2	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP4_2	O=CN1CCCCC1	C2591868
FP4_2	O=C(O)CCSCCC(=O)O	C111171
FP4_2	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_2	CCCCCCCCCCCCN.Cl	C929737
FP4_2	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_2	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_2	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_2	BrCCCCCCCCCCCC	C143157
FP4_2	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP4_2	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
FP4_2	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP4_2	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP4_2	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_2	O=C(OC)CCCC(=O)O	C1501275
FP4_2	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP4_2	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
FP4_2	O=C(OCCCCO)C=C	C2478106
FP4_2	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_2	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
FP4_2	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP4_2	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_2	NCCCOCCCCCCCC	C15930662
FP4_2	O=C(O)CCCCCCCCCC(=O)O	C1852046
FP4_2	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP4_2	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP4_2	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP4_2	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
FP4_2	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP4_2	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP4_2	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP4_2	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP4_2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_2	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP4_2	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP4_2	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_2	O=C/C=C/CCCCCCC	C3913813
FP4_2	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP4_2	SC1CCCC1	C1679078
FP4_2	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP4_2	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_2	S=C=NCCCSC	C505793
FP4_2	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_2	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP4_2	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP4_2	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP4_2	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP4_2	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP4_2	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP4_2	CC/C=C\CCOC(OCC)C	C28069741
FP4_2	CC1(C)C2CC(=CCC12)C	C13466789
FP4_2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_2	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_2	O=C(O)CSCCCCCCCCCCC	C116296312
FP4_2	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP4_2	CCCCCCCCCC(C)C=O	C110418
FP4_2	CCCCCc1ccco1	C3777693
FP4_2	CCC(=O)C(=O)CC	C4437518
FP4_2	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_3	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP4_3	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_3	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_3	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_3	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
FP4_3	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP4_3	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_3	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_3	CC1(C)OC2(C)CCC1CC2	C470826
FP4_3	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_3	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_3	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_3	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP4_3	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_3	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP4_3	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_3	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP4_3	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
FP4_3	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP4_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_3	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_3	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP4_3	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_3	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP4_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_3	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_3	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_3	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_3	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP4_3	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
FP4_3	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_3	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP4_3	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP4_3	C12C3C=CC(C3)C1C=CC2	C77736
FP4_3	O=C(CC(C)C)CC(C)C	C108838
FP4_3	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_3	C(CC)(C=O)CCCC	C123057
FP4_3	OCC(C(O)CCC)CC	C94962
FP4_3	O=C(OCC(CCCC)CC)C=C	C103117
FP4_3	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_3	CC=C1CC2C=CC1C2	C16219753
FP4_3	N#CC(CCC#N)C	C4553622
FP4_3	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_3	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_3	N#CC(C)C	C78820
FP4_3	CC1(C(=C)C2CCC1C2)C	C79925
FP4_3	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP4_3	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP4_3	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP4_3	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP4_3	OC1CCC(C(C)(C)C)CC1	C98522
FP4_3	O=C(C)OCC(CC)CCCC	C103093
FP4_3	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_3	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_3	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP4_3	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP4_3	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_3	O=C(CS)OCC(CC)CCCC	C7659861
FP4_3	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP4_3	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_3	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP4_3	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP4_3	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP4_3	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP4_3	OC(CCCC(C)C)(C)CC	C78693
FP4_3	OC(CC(C)CC(C)C)CC(C)C	C123171
FP4_3	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_3	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_3	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
FP4_3	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
FP4_3	OCC(CCC)CCCCC	C10042598
FP4_3	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP4_3	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP4_3	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_3	CC(=C)C1CC=C(C)CC1	C138863
FP4_3	OC1CC(CCC1C(C)C)C	C1490046
FP4_3	OCCC(C)CC(C)(C)C	C3452979
FP4_3	O=C(C)OCCC(C)C(CC)CC	C108419336
FP4_3	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP4_3	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP4_3	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP4_3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_3	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_3	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_3	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_3	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_3	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_3	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_3	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_3	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_3	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_3	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_3	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
FP4_3	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP4_3	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP4_3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_3	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_3	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
FP4_3	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_3	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP4_3	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_3	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_3	OC1CCC(C(CC)(C)C)CC1	C5349519
FP4_3	O=C1CCC(C2CCCCC2)CC1	C92682
FP4_3	OC1CCC(C2CCCCC2)CC1	C2433149
FP4_3	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_3	OC(C)(C)C1CC=C(C)CC1	C8000417
FP4_3	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
FP4_3	CC(C)C1=CCC(=CC1)C	C99854
FP4_3	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
FP4_3	CC1=CC=C(C(C)C)CC1	C99865
FP4_3	OCC(CCCCCC)CCCCCCCC	C2425776
FP4_3	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP4_3	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_3	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP4_3	OC(CCCC(C)C)(C)C	C13254347
FP4_3	O=C(CC(C)C)OCC(C)CC	C2445774
FP4_3	OC(CC(C)C)(C)C#C	C107540
FP4_3	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP4_3	CCC(c1ccccc1)CCC	C4468422
FP4_3	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_3	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_3	OCC[C@@H](C)CCC=C(C)C	C7540514
FP4_3	OC(CCCC(C)C=C)(C)C	C53219219
FP4_3	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP4_3	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_3	OC1CC(C)(C)CC(C)C1	C116029
FP4_3	O=C1C(C(CC)C)CCCC1	C14765301
FP4_3	OCCOCC(CC)CCCC	C1559359
FP4_3	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP4_3	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP4_3	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP4_3	Oc1cc(C(C)C)ccc1C	C499752
FP4_3	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP4_3	OC(C)(C)CCCC(C)CC=O	C107755
FP4_3	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP4_3	Oc1ccc(C(C)C)cc1	C99898
FP4_3	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_3	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_3	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_3	Oc1c(C(C)C)cccc1	C88697
FP4_3	O=C1CCC(C(C)(C)C)CC1	C98533
FP4_3	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_3	Oc1cc(C(C)C)ccc1	C618451
FP4_3	OCC(CCCC)CCCCCC	C3913028
FP4_3	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP4_3	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_3	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_3	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP4_3	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP4_3	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP4_3	O=C(c1ccccc1)OCCC(C)C	C94462
FP4_3	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_3	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_3	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_3	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP4_3	O=C(C1CCCCC1)c1ccccc1	C712505
FP4_3	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP4_3	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_3	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP4_3	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP4_3	O=C1CCC(CCC)CC1	C40649363
FP4_3	O=C(c1ccccc1)C1CCC1	C5407987
FP4_3	O=C(c1ccccc1)C(C)C	C611701
FP4_3	OC1CCC(CCCC)CC1	C70568604
FP4_3	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_3	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_3	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_3	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_3	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
FP4_3	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP4_3	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_3	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_3	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_3	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP4_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_3	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_3	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_3	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_3	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_3	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_3	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_3	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP4_3	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP4_3	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_3	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_3	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_3	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_3	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_3	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_3	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_3	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_3	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_3	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP4_3	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_3	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_3	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP4_3	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_3	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_3	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_3	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_3	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_3	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_3	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_3	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_3	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_3	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_3	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_3	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP4_3	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_3	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
FP4_3	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP4_3	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
FP4_3	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
FP4_3	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_3	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_3	O1C2C1CCC(C2)C1CO1	C106876
FP4_3	CCC(CCCC)CO	C104767
FP4_3	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP4_3	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
FP4_3	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_3	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_3	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_3	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_3	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_3	c1(c(O)cccc1)C(CC)C	C89725
FP4_3	c1(ccc(cc1)O)C(CC)C	C99718
FP4_3	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP4_3	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_3	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP4_3	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_3	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_3	C(=O)(O)C(CCC)CCC	C99661
FP4_3	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_3	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP4_3	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP4_3	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_3	O=C(O)C(CCCC)CC	C149575
FP4_3	C(CC(C)C)OC(=O)C	C123922
FP4_3	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP4_3	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP4_3	CC(C)c1cccc(C(C)C)c1	C99627
FP4_3	CC(C)c1ccc(C)cc1	C99876
FP4_3	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP4_3	OCCC(C)CCC=C(C)C	C106229
FP4_3	OC(CC(C)C)C	C108112
FP4_3	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP4_3	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_3	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP4_3	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP4_3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP4_3	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP4_3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP4_3	O=C(OCCCCCC(C)C)C=C	C29590429
FP4_3	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP4_3	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP4_3	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP4_3	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_3	Oc1cc(C)ccc1C(C)C	C89838
FP4_3	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP4_3	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_3	O=C(CCC)OCCC(C)C	C106274
FP4_3	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP4_3	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_3	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_3	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_3	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_3	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_3	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_3	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP4_3	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_3	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP4_3	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP4_3	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_3	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_3	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP4_3	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_3	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP4_3	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_3	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP4_3	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_3	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_3	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_3	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_3	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_3	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_3	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_3	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP4_3	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP4_3	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_3	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_3	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_3	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_3	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_3	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_3	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_3	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_3	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP4_3	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP4_3	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_3	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP4_3	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP4_3	OC(C(CC)CCCC)C#C	C5877429
FP4_3	C(CO)C(C)C	C123513
FP4_3	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_3	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_3	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_3	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP4_3	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_3	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_3	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_3	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_3	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_3	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_3	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP4_3	O=CCC(C)CCC=C(C)C	C106230
FP4_3	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_3	CC1(C)C2C(=CCC1C2)C	C80568
FP4_3	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_3	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_3	CC(=O)CCC(C)C	C110123
FP4_3	CC(=O)CC(C)C	C108101
FP4_3	CC(C)C=O	C78842
FP4_3	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_3	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_3	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP4_3	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP4_3	CC(c1ccc(CO)cc1)C	C536607
FP4_3	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_3	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_3	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP4_3	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP4_3	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_3	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
FP4_3	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_3	ClC(=O)C(CC)CCCC	C760678
FP4_3	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_3	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_3	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_3	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_3	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_3	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_3	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_3	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP4_3	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_3	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_3	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_3	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_3	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP4_3	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP4_3	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP4_3	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_3	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_3	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP4_3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_3	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP4_3	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP4_3	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP4_3	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP4_3	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP4_3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_3	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_3	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP4_3	COC(OC)C(C)c1ccccc1	C90879
FP4_3	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP4_3	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP4_3	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP4_3	CC1(C)C2CC(=CCC12)C	C13466789
FP4_3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_3	CCCCCCCCCC(C)C=O	C110418
FP4_3	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_4	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP4_4	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP4_4	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP4_4	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_4	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_4	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP4_4	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_4	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_4	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_4	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_4	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP4_4	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_4	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_4	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP4_4	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_4	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP4_4	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP4_4	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP4_4	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_4	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_4	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_4	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_4	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_4	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP4_4	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP4_4	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP4_4	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_4	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP4_4	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_4	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_4	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_4	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_4	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP4_4	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_4	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_4	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP4_4	c1(ccc(cc1)C)C(C)(C)C	C98511
FP4_4	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP4_4	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_4	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_4	CC1(C(=C)C2CCC1C2)C	C79925
FP4_4	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP4_4	OC1CCC(C(C)(C)C)CC1	C98522
FP4_4	OCC(CO)(CO)CO	C115775
FP4_4	OCC(C)(C)CO	C126307
FP4_4	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP4_4	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
FP4_4	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP4_4	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_4	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP4_4	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
FP4_4	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_4	OCCC(C)CC(C)(C)C	C3452979
FP4_4	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_4	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_4	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_4	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_4	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_4	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_4	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_4	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_4	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_4	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_4	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_4	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP4_4	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_4	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_4	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_4	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP4_4	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP4_4	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP4_4	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_4	OC1CCC(C(CC)(C)C)CC1	C5349519
FP4_4	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_4	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
FP4_4	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP4_4	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP4_4	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_4	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP4_4	OC1CC(C)(C)CC(C)C1	C116029
FP4_4	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP4_4	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP4_4	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP4_4	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_4	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_4	O=C1CCC(C(C)(C)C)CC1	C98533
FP4_4	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_4	Oc1cc(C(C)(C)C)ccc1	C585342
FP4_4	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_4	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP4_4	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_4	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_4	Nc1ccc(C(C)(C)C)cc1	C769926
FP4_4	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_4	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP4_4	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP4_4	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
FP4_4	Sc1ccc(C(C)(C)C)cc1	C2396681
FP4_4	O=C(c1ccccc1)C(C)(C)C	C938169
FP4_4	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_4	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_4	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_4	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_4	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_4	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_4	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_4	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_4	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_4	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_4	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP4_4	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_4	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_4	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_4	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP4_4	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_4	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_4	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_4	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_4	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_4	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_4	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_4	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP4_4	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_4	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_4	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP4_4	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_4	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP4_4	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_4	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_4	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_4	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_4	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_4	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_4	OCC(CO)(CBr)CBr	C3296900
FP4_4	CC(C)(C)c1cc(O)ccc1O	C1948330
FP4_4	C(c1ccc(O)cc1)(C)(C)C	C98544
FP4_4	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_4	CC1(CC(=CC(=O)C1)C)C	C78591
FP4_4	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_4	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_4	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_4	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP4_4	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP4_4	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_4	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_4	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
FP4_4	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP4_4	Oc1c(C(C)(C)C)cccc1	C88186
FP4_4	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP4_4	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP4_4	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP4_4	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_4	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP4_4	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_4	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP4_4	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP4_4	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_4	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP4_4	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP4_4	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_4	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP4_4	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP4_4	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP4_4	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP4_4	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP4_4	CC(C)(C)c1ccccc1	C98066
FP4_4	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_4	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_4	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_4	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_4	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_4	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP4_4	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_4	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_4	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP4_4	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_4	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_4	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_4	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_4	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_4	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_4	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_4	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP4_4	CC1(C)C2C(=CCC1C2)C	C80568
FP4_4	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_4	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_4	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP4_4	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP4_4	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_4	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_4	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_4	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_4	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP4_4	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
FP4_4	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP4_4	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_4	O=C(O)C(=O)C(C)(C)C	C815178
FP4_4	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP4_4	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_4	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_4	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_4	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP4_4	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP4_4	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP4_4	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP4_4	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_4	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP4_4	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP4_4	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_4	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP4_4	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
FP4_4	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_4	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP4_4	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_4	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP4_4	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP4_4	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP4_4	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP4_4	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP4_4	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP4_4	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP4_4	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP4_4	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP4_4	CC1(C)C2CC(=CCC12)C	C13466789
FP4_4	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_6	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_6	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_6	C(O)C#CCO	C110656
FP4_6	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_6	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_6	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_6	OC(CC(C)C)(C)C#C	C107540
FP4_6	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP4_6	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP4_6	O=C(NCCCC)OCC#CI	C55406536
FP4_6	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_6	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_6	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_6	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP4_6	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_6	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_6	OC(C(CC)CCCC)C#C	C5877429
FP4_6	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP4_6	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_6	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_6	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_6	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_8	O=CCCl	C107200
FP4_8	ClCOC	C107302
FP4_8	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
FP4_8	OC(CO)CCl	C96242
FP4_8	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
FP4_8	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
FP4_8	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP4_8	ClCC(Cl)CCl	C96184
FP4_8	C=CC(Cl)CCl	C760236
FP4_8	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
FP4_8	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP4_8	ClCCOP(OCCCl)OCCCl	C140089
FP4_8	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_8	O=C(CCl)[O-].[Na+]	C3926623
FP4_8	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
FP4_8	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP4_8	ClC(Cl)(C)C	C594207
FP4_8	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP4_8	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
FP4_8	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
FP4_8	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_8	O=C(Nc1ccccc1)CCl	C587655
FP4_8	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP4_8	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_8	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_8	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP4_8	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
FP4_8	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
FP4_8	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP4_8	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
FP4_8	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP4_8	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP4_8	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP4_8	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP4_8	ClCCP(=O)(O)O	C16672870
FP4_8	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_8	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_8	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_8	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_8	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_8	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_8	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_8	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP4_8	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP4_8	ClC(c1ccccc1)(Cl)Cl	C98077
FP4_8	ClCCOCCCl	C111444
FP4_8	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
FP4_8	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP4_8	O=C(c1ccccc1)CCl	C532274
FP4_8	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
FP4_8	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
FP4_8	OC(=O)C(Cl)Cl	C79436
FP4_8	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_8	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_8	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
FP4_8	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
FP4_8	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
FP4_8	ClC(C(=O)O)(Cl)Cl	C76039
FP4_8	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_8	CC(Cl)(Cl)C(=O)O	C75990
FP4_8	ClCCO	C107073
FP4_8	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP4_8	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_8	OC(CCl)CCl	C96231
FP4_8	c1(ccccc1)C(Cl)Cl	C98873
FP4_8	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_8	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
FP4_8	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP4_8	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_8	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_8	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP4_8	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP4_8	O=C(CCl)CCl	C534076
FP4_8	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
FP4_8	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_8	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_8	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP4_8	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
FP4_8	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_8	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_8	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP4_8	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_9	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_9	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_9	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_9	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_9	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_9	[Na+].[O-]C(=O)CF	C62748
FP4_9	C(F)(F)(F)c1ccc(Cl)cc1	C98566
FP4_9	Clc1ccc(C(F)(F)F)cc1Cl	C328847
FP4_9	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_9	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_9	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_9	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_9	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_9	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP4_9	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_9	O=C(CF)O	C144490
FP4_9	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_9	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_9	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_9	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_9	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_9	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_9	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP4_9	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_9	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_9	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
FP4_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
FP4_9	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_9	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_9	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_9	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_9	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_9	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_9	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_9	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_9	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_9	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_9	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP4_9	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_9	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_9	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_9	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_9	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_9	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_9	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_9	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_9	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_9	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_9	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_9	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_9	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_9	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_9	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_9	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_9	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
FP4_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
FP4_9	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
FP4_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
FP4_9	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_9	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
FP4_9	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
FP4_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP4_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP4_9	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP4_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP4_9	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
FP4_9	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
FP4_9	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_9	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP4_9	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_9	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_9	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_9	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP4_9	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_9	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_9	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_9	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_9	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_9	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_9	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_9	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_9	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_9	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
FP4_9	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP4_9	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
FP4_9	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_9	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_9	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_9	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_9	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_9	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_9	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_9	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_9	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP4_9	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP4_9	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_9	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_9	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_9	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_9	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_9	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_9	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP4_9	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_9	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_9	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_9	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_9	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_10	BrCCBr	C106934
FP4_10	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_10	N#CC(Br)(CCC#N)CBr	C35691657
FP4_10	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
FP4_10	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP4_10	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_10	O=C(CBr)c1ccc(O)cc1	C2491385
FP4_10	O=C(CBr)OCc1ccccc1	C5437456
FP4_10	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_10	OCC(CO)(CBr)CBr	C3296900
FP4_10	[O-][N+](=O)C(CO)(CO)Br	C52517
FP4_10	N#CC(Br)(C(=O)N)Br	C10222012
FP4_10	N#CC(Br)Br	C3252435
FP4_10	OCCCBr	C627189
FP4_10	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP4_10	BrCCCCCCCCCCCC	C143157
FP4_11	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
FP4_19	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_19	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_19	c1ccccc1Oc1ccccc1	C101848
FP4_19	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_19	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_19	OCc1cccc(Oc2ccccc2)c1	C13826352
FP4_19	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP4_19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_19	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_19	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_19	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_19	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_19	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_19	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_19	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_19	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_19	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_19	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_19	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_19	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_19	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_19	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_19	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_19	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_19	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_19	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_19	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP4_19	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_19	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_19	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP4_19	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_19	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_19	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_19	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_19	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_19	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_19	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_19	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_19	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_19	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP4_19	Brc1ccc(Oc2ccccc2)cc1	C101553
FP4_19	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_19	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP4_19	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP4_19	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_19	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_19	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP4_19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_19	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_19	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP4_19	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_19	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_19	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_19	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_19	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_19	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_19	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_19	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP4_19	c1ccccc1Oc1ccc(O)cc1	C831823
FP4_19	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_19	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_19	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_19	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_19	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_19	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_19	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_19	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_19	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_20	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_20	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_20	c1ccccc1Oc1ccccc1	C101848
FP4_20	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_20	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_20	OCc1cccc(Oc2ccccc2)c1	C13826352
FP4_20	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP4_20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_20	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_20	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_20	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_20	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_20	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_20	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_20	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_20	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_20	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_20	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_20	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_20	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_20	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_20	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_20	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_20	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_20	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_20	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_20	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP4_20	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_20	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_20	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP4_20	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_20	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_20	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_20	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_20	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_20	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_20	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_20	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_20	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_20	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP4_20	Brc1ccc(Oc2ccccc2)cc1	C101553
FP4_20	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_20	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP4_20	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP4_20	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_20	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_20	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_20	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP4_20	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_20	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_20	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP4_20	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_20	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_20	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_20	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_20	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_20	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_20	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_20	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP4_20	c1ccccc1Oc1ccc(O)cc1	C831823
FP4_20	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_20	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_20	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_20	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_20	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_20	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_20	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_20	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_20	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_21	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_21	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_21	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_21	N1c2c(cccc2)Sc2ccccc12	C92842
FP4_21	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP4_21	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_21	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP4_21	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP4_28	c1(nc[nH]n1)N	C61825
FP4_28	Nc1ccccc1.Cl	C142041
FP4_28	Nc1ccc(OC)cc1.Cl	C20265978
FP4_28	Clc1c(ccc(c1)N)C	C95749
FP4_28	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
FP4_28	Nc1ccc(cc1)N	C106503
FP4_28	Nc1ccccc1C.Cl	C636215
FP4_28	c1cc(N)ccc1C(=O)OCC	C94097
FP4_28	Nc1cc(Cl)c(Cl)cc1	C95761
FP4_28	Nc1ccc(CCCC)cc1	C104132
FP4_28	Nc1ccc(OCCCCCC)cc1	C39905572
FP4_28	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_28	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_28	O=C(OCC)c1c(N)cccc1	C87252
FP4_28	[N+](=O)([O-])c1ccccc1N	C88744
FP4_28	O(c1ccc(N)cc1)CC	C156434
FP4_28	Nc1cccc(C)c1C	C1300738
FP4_28	Nc1c(C)cccc1CC	C24549062
FP4_28	Nc1cc(Cl)cc(Cl)c1	C626437
FP4_28	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_28	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_28	Nc1ccc(CCCCC)cc1	C33228443
FP4_28	Nc1ccc(CCCCCC)cc1	C33228454
FP4_28	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP4_28	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_28	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP4_28	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_28	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_28	Nc1ccc(CCC)cc1	C2696846
FP4_28	Nc1ccc(C(C)(C)C)cc1	C769926
FP4_28	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP4_28	Nc1ccc(cc1)OCCCC	C4344552
FP4_28	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_28	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_28	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_28	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_28	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_28	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_28	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_28	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_28	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_28	Clc1nc(NCC)nc(N)n1	C1007289
FP4_28	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP4_28	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_28	Nc1ccc(c2ccc(N)cc2)cc1	C92875
FP4_28	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP4_28	Nc1c(ccc(c1)Cl)N	C95830
FP4_28	Nc1ccc(cc1)Cl	C106478
FP4_28	Nc1cc(ccc1OC)C	C120718
FP4_28	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP4_28	Nc1c(ccc(c1)N)C	C95807
FP4_28	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP4_28	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_28	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP4_28	Nc1c2c(ccc1)c(ccc2)N	C2243621
FP4_28	Nc1cc2c(cccc2)cc1	C91598
FP4_28	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_28	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_28	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_28	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP4_28	Nc1cc(ccc1)N	C108452
FP4_28	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_28	Nc1ccc(C)cc1	C106490
FP4_28	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
FP4_28	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_28	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_28	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_28	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_28	Nc1c(OC)cccc1	C90040
FP4_28	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
FP4_28	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP4_28	O=C(O)c1ccc(N)cc1	C150130
FP4_28	Oc1c(ccc(N)c1)C	C2835952
FP4_28	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_28	Nc1cc(C)ccc1N	C496720
FP4_28	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP4_28	O=C(OC)c1c(N)cccc1	C134203
FP4_28	Nc1c(N)cccc1	C95545
FP4_28	N(c1ccccc1)c1ccc(N)cc1	C101542
FP4_28	Nc1c(cccc1)C	C95534
FP4_28	Nc1c(cccc1C)C	C87627
FP4_28	Nc1cccc(C)c1	C108441
FP4_28	Nc1c(CC)cccc1CC	C579668
FP4_28	Nc1cccc(C)c1N	C2687254
FP4_28	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_28	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_28	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP4_28	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_28	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_28	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_28	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_28	Clc1ccc(N)cc1.Cl	C20265967
FP4_28	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
FP4_28	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_28	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_28	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_28	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_28	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP4_28	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
FP4_28	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP4_28	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP4_28	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_28	Nc1ccc(Br)cc1	C106401
FP4_28	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_28	Nc1ccc2cc3ccccc3cc2c1	C613138
FP4_28	Nc1ccc(OC)cc1	C104949
FP4_28	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP4_28	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP4_28	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP4_28	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_28	Nc1cccc(C)n1	C1824813
FP4_28	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP4_28	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP4_28	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP4_28	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_39	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP4_39	N1(SSN2CCOCC2)CCOCC1	C103344
FP4_39	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP4_39	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_39	C1(CCCCC1)SSC1CCCCC1	C2550405
FP4_39	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP4_39	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
FP4_39	c1(SSc2cccs2)cccs1	C6911519
FP4_43	O(O)C(c1ccccc1)(C)C	C80159
FP4_44	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_44	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP4_44	O(OC(C)(C)C)C(C)(C)C	C110054
FP4_44	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP4_44	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
FP4_47	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
FP4_47	Cl[Sn](CCCC)(Cl)CCCC	C683181
FP4_47	Cl[Sn](C)(C)Cl	C753731
FP4_47	Cl[Sn](Cl)(Cl)CCCC	C1118463
FP4_47	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP4_47	c1([Hg]c2ccccc2)ccccc1	C587859
FP4_47	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
FP4_47	CC(=O)O[Hg]c1ccccc1	C62384
FP4_47	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
FP4_47	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
FP4_47	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_47	Br[Sn](CC)(CC)CC	C2767546
FP4_47	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP4_47	Cl[Hg]c1ccccc1	C100561
FP4_47	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
FP4_47	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
FP4_47	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP4_47	N#C[Au-]C#N.[K+]	C13967505
FP4_47	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
FP4_47	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP4_49	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP4_49	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP4_49	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_49	O=C1CCCCC1	C108941
FP4_49	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_49	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP4_49	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP4_49	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
FP4_49	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_49	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_49	CCCC(=O)C	C107879
FP4_49	CCCCCC(=O)C	C110430
FP4_49	CCCCCCCCCC(=O)C	C112129
FP4_49	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP4_49	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_49	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP4_49	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP4_49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_49	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_49	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_49	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP4_49	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP4_49	C(C(=O)C)C(C)(C)O	C123422
FP4_49	O=C(CC(C)C)CC(C)C	C108838
FP4_49	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_49	O=C(C)C=Cc1ccccc1	C122576
FP4_49	O=C(N(C)C)CC(=O)C	C2044646
FP4_49	O=C(c1ccc(O)cc1)C	C99934
FP4_49	O=C1CCCC1	C120923
FP4_49	O=C(C=C(C)C)C	C141797
FP4_49	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_49	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP4_49	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_49	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP4_49	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP4_49	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_49	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_49	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_49	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_49	O=C(CBr)c1ccc(O)cc1	C2491385
FP4_49	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_49	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_49	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_49	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_49	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_49	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_49	O=C(c1ccccc1O)C	C118934
FP4_49	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_49	O=C1CCC(C2CCCCC2)CC1	C92682
FP4_49	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_49	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP4_49	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP4_49	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP4_49	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP4_49	O=C(C)c1cc2ccccc2cc1	C93083
FP4_49	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP4_49	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_49	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_49	O=C1C(C(CC)C)CCCC1	C14765301
FP4_49	O=C(CC)CCCCC	C106683
FP4_49	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP4_49	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_49	O=C1CCC(C(C)(C)C)CC1	C98533
FP4_49	O=C(c1ccccc1)Cc1ccccc1	C451401
FP4_49	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_49	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP4_49	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_49	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_49	O=C(c1ccccc1)c1ccccc1O	C117997
FP4_49	O=C(C1CCCCC1)c1ccccc1	C712505
FP4_49	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_49	O=C(CCCCCC)c1ccccc1	C1671756
FP4_49	O=C1CCC(CCC)CC1	C40649363
FP4_49	O=C(c1ccccc1)C1CCC1	C5407987
FP4_49	O=C(c1ccccc1)C(C)C	C611701
FP4_49	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_49	O=C(c1ccccc1)C(C)(C)C	C938169
FP4_49	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_49	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_49	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP4_49	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_49	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_49	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_49	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_49	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_49	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_49	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_49	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_49	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP4_49	O=C(c1ccccc1)CCl	C532274
FP4_49	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_49	CC1(CC(=CC(=O)C1)C)C	C78591
FP4_49	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP4_49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_49	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_49	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_49	c1ccccc1C(=O)C	C98862
FP4_49	c1ccccc1C(=O)c1ccccc1	C119619
FP4_49	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_49	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP4_49	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_49	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_49	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP4_49	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_49	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_49	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_49	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP4_49	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_49	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_49	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_49	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_49	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_49	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_49	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_49	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_49	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_49	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_49	CC(=O)CCC(C)C	C110123
FP4_49	CC(=O)CC(C)C	C108101
FP4_49	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP4_49	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP4_49	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_49	O=C(CCl)CCl	C534076
FP4_49	CC(=O)C(=O)O	C127173
FP4_49	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP4_49	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_49	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_49	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP4_49	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_49	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_49	O=C(O)C(=O)C(C)(C)C	C815178
FP4_49	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_49	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP4_49	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_49	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP4_49	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP4_49	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP4_49	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP4_49	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP4_49	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_49	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_49	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP4_49	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_49	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP4_49	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_49	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_49	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_49	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_49	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP4_49	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_49	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP4_49	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP4_49	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_49	CCC(=O)C(=O)CC	C4437518
FP4_68	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP4_68	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_68	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
FP4_68	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP4_68	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
FP4_68	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
FP4_68	Cl/C=C/Cl	C156605
FP4_68	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_68	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_68	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_68	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
FP4_68	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_68	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_68	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_68	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
FP4_68	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_68	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_68	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_68	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_68	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_68	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_68	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP4_68	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
FP4_68	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP4_68	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_68	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_68	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
FP4_68	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP4_68	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP4_68	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP4_68	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_68	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP4_70	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_70	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_71	IC(=C(I)I)I	C513928
FP4_132	C=CC#N	C107131
FP4_132	NC(=N)NC#N	C461585
FP4_132	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_132	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_132	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_132	N#CCC#N	C109773
FP4_132	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_132	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_132	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_132	CC(=C)C#N	C126987
FP4_132	N#CC(Br)(CCC#N)CBr	C35691657
FP4_132	C(C)(C)(O)C#N	C75865
FP4_132	N#CC(CCC#N)C	C4553622
FP4_132	N#CC(C)C	C78820
FP4_132	N#C[S-].[NH4+]	C1762954
FP4_132	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_132	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_132	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_132	CC(=CCCC(=CC#N)C)C	C5146667
FP4_132	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_132	N#Cc1c(O)cccc1	C611201
FP4_132	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_132	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP4_132	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP4_132	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_132	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_132	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_132	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_132	C(SC#N)SC#N	C6317186
FP4_132	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_132	N#Cc1c(Cl)cccc1Cl	C1194656
FP4_132	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_132	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_132	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_132	N#CSCSc1nc2ccccc2s1	C21564170
FP4_132	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_132	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_132	N#CN	C420042
FP4_132	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_132	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_132	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_132	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_132	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_132	N#CCCCCC#N	C111693
FP4_132	N#Cc1cnccc1	C100549
FP4_132	N#CC(Br)(C(=O)N)Br	C10222012
FP4_132	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_132	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP4_132	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_132	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_132	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_132	N#CC(Br)Br	C3252435
FP4_132	N#Cc1ccccc1	C100470
FP4_132	c1c(I)c(O)c(I)cc1C#N	C1689834
FP4_132	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_132	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_132	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_132	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_132	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP4_132	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_132	N#CSCCCCCCCCCCCC	C765151
FP4_132	N#C[Au-]C#N.[K+]	C13967505
FP4_132	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
FP4_132	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_132	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP4_132	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_142	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP4_142	NC(=N)NC#N	C461585
FP4_142	S=C(NCC)NCC	C105555
FP4_142	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_142	NC(=O)OC	C598550
FP4_142	CN(C(=O)N)N=O	C684935
FP4_142	O=C(N(CCCC)CC)SCCC	C1114712
FP4_142	NC(=S)N	C62566
FP4_142	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_142	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_142	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_142	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_142	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_142	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_142	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_142	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_142	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_142	O=C(N)N=NC(=O)N	C123773
FP4_142	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_142	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_142	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_142	OCNC(=O)NCO	C140954
FP4_142	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_142	O=C1OCC(C)O1	C108327
FP4_142	O=C(N)[O-].[NH4+]	C1111780
FP4_142	NNC(=S)NN	C2231574
FP4_142	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_142	[S-]C(=S)NC.[Na+]	C137428
FP4_142	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP4_142	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_142	O=C1NC2NC(=O)NC2N1	C496468
FP4_142	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_142	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_142	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_142	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_142	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_142	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_142	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_142	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_142	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_142	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_142	O=C(N(C)C)Nc1ccccc1	C101428
FP4_142	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP4_142	O=C1OCC(CC)O1	C4437858
FP4_142	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_142	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_142	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_142	S=C(NC)NC	C534134
FP4_142	O=C(N)Nc1ccccc1	C64108
FP4_142	NNC(=S)NC	C6610293
FP4_142	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_142	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_142	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_142	S=C1NCCN1	C96457
FP4_142	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_142	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_142	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_142	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_142	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP4_142	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP4_142	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_142	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_142	CSC(=NOC(=O)NC)C	C16752775
FP4_142	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_142	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_142	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_142	CCCN(CCC)C(=O)SCC	C759944
FP4_142	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_142	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_142	O=C(SCC)N1CCCCCC1	C2212671
FP4_142	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_142	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_142	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_142	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_142	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_142	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_142	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_142	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_142	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_142	CN1CN(C)CSC1=S	C533744
FP4_142	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_142	O=C(NCCCC)OCC#CI	C55406536
FP4_142	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_142	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_142	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_142	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_142	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_142	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_142	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_142	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_142	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_142	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_142	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP4_142	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_142	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_142	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_142	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_142	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_142	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_142	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_142	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_142	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_142	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_142	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_142	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_142	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_142	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_142	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_142	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_142	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_142	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_142	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_142	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_142	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_142	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_142	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_142	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_142	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_142	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_142	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_142	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_142	O=C(N(C)C)Cl	C79447
FP4_142	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_142	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_142	[nH]1c(=S)n(cc1)C	C60560
FP4_142	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_142	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_142	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_142	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_142	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_142	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_142	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_142	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_142	C(=O)(N)N	C57136
FP4_142	NC(=O)OCC	C51796
FP4_142	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_142	CC1(C)NC(=O)NC1=O	C77714
FP4_142	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_142	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_142	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_142	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_142	O=C(SCCC)N(CCC)CCC	C1929777
FP4_142	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_142	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_142	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_142	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP4_142	C(=O)(N)NO	C127071
FP4_142	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_142	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_142	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_142	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_142	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_142	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_142	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_142	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_142	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_142	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_142	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_142	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_142	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_142	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_142	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_142	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_142	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_142	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_142	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_142	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_142	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_142	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_142	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_142	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_142	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_142	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_142	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_142	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_142	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_142	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_142	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_142	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_142	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_142	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_142	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_142	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_142	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_142	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_142	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_142	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_142	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_142	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_142	S=C(NCCCC)NCCCC	C109466
FP4_142	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_142	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_142	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_142	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP4_142	S=C(N(C)C)SC(=S)N(C)C	C97745
FP4_142	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_142	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_142	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_142	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_142	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_142	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP4_142	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_142	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_142	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_142	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_142	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_142	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_142	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_142	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_142	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_142	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_142	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_142	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_142	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_142	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_142	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_142	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_142	NNC(=O)OCc1ccccc1	C5331431
FP4_143	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP4_143	NC(=N)NC#N	C461585
FP4_143	S=C(NCC)NCC	C105555
FP4_143	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_143	NC(=O)OC	C598550
FP4_143	CN(C(=O)N)N=O	C684935
FP4_143	O=C(N(CCCC)CC)SCCC	C1114712
FP4_143	NC(=S)N	C62566
FP4_143	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_143	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_143	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_143	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_143	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_143	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_143	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_143	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_143	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_143	O=C(N)N=NC(=O)N	C123773
FP4_143	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_143	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_143	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_143	OCNC(=O)NCO	C140954
FP4_143	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_143	O=C1OCC(C)O1	C108327
FP4_143	O=C(N)[O-].[NH4+]	C1111780
FP4_143	NNC(=S)NN	C2231574
FP4_143	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_143	[S-]C(=S)NC.[Na+]	C137428
FP4_143	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP4_143	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_143	O=C1NC2NC(=O)NC2N1	C496468
FP4_143	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_143	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_143	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_143	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_143	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_143	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_143	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_143	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_143	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_143	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_143	O=C(N(C)C)Nc1ccccc1	C101428
FP4_143	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP4_143	O=C1OCC(CC)O1	C4437858
FP4_143	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_143	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_143	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_143	S=C(NC)NC	C534134
FP4_143	O=C(N)Nc1ccccc1	C64108
FP4_143	NNC(=S)NC	C6610293
FP4_143	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_143	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_143	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_143	S=C1NCCN1	C96457
FP4_143	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_143	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_143	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_143	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_143	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP4_143	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP4_143	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_143	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_143	CSC(=NOC(=O)NC)C	C16752775
FP4_143	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_143	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_143	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_143	CCCN(CCC)C(=O)SCC	C759944
FP4_143	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_143	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_143	O=C(SCC)N1CCCCCC1	C2212671
FP4_143	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_143	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_143	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_143	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_143	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_143	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_143	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_143	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_143	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_143	CN1CN(C)CSC1=S	C533744
FP4_143	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_143	O=C(NCCCC)OCC#CI	C55406536
FP4_143	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_143	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_143	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_143	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_143	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_143	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_143	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_143	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_143	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_143	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_143	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP4_143	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_143	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_143	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_143	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_143	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_143	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_143	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_143	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_143	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_143	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_143	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_143	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_143	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_143	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_143	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_143	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_143	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_143	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_143	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_143	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_143	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_143	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_143	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_143	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_143	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_143	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_143	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_143	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_143	O=C(N(C)C)Cl	C79447
FP4_143	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_143	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_143	[nH]1c(=S)n(cc1)C	C60560
FP4_143	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_143	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_143	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_143	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_143	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_143	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_143	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_143	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_143	C(=O)(N)N	C57136
FP4_143	NC(=O)OCC	C51796
FP4_143	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_143	CC1(C)NC(=O)NC1=O	C77714
FP4_143	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_143	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_143	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_143	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_143	O=C(SCCC)N(CCC)CCC	C1929777
FP4_143	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_143	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_143	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_143	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP4_143	C(=O)(N)NO	C127071
FP4_143	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_143	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_143	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_143	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_143	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_143	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_143	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_143	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_143	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_143	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_143	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_143	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_143	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_143	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_143	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_143	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_143	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_143	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_143	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_143	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_143	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_143	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_143	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_143	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_143	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_143	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_143	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_143	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_143	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_143	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_143	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_143	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_143	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_143	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_143	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_143	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_143	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_143	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_143	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_143	S=C(NCCCC)NCCCC	C109466
FP4_143	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_143	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_143	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_143	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP4_143	S=C(N(C)C)SC(=S)N(C)C	C97745
FP4_143	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_143	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_143	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_143	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_143	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_143	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP4_143	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_143	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_143	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_143	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_143	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_143	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_143	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_143	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_143	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_143	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_143	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_143	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_143	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_143	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_143	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_143	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_143	NNC(=O)OCc1ccccc1	C5331431
FP4_144	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP4_144	NC(=N)NC#N	C461585
FP4_144	S=C(NCC)NCC	C105555
FP4_144	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_144	NC(=O)OC	C598550
FP4_144	CN(C(=O)N)N=O	C684935
FP4_144	O=C(N(CCCC)CC)SCCC	C1114712
FP4_144	NC(=S)N	C62566
FP4_144	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_144	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_144	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_144	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_144	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_144	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_144	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_144	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_144	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_144	O=C(N)N=NC(=O)N	C123773
FP4_144	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_144	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_144	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_144	OCNC(=O)NCO	C140954
FP4_144	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_144	O=C1OCC(C)O1	C108327
FP4_144	O=C(N)[O-].[NH4+]	C1111780
FP4_144	NNC(=S)NN	C2231574
FP4_144	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_144	[S-]C(=S)NC.[Na+]	C137428
FP4_144	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP4_144	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_144	O=C1NC2NC(=O)NC2N1	C496468
FP4_144	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_144	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_144	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_144	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_144	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_144	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_144	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_144	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_144	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_144	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_144	O=C(N(C)C)Nc1ccccc1	C101428
FP4_144	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP4_144	O=C1OCC(CC)O1	C4437858
FP4_144	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_144	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_144	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_144	S=C(NC)NC	C534134
FP4_144	O=C(N)Nc1ccccc1	C64108
FP4_144	NNC(=S)NC	C6610293
FP4_144	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_144	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_144	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_144	S=C1NCCN1	C96457
FP4_144	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_144	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_144	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_144	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_144	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP4_144	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP4_144	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_144	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_144	CSC(=NOC(=O)NC)C	C16752775
FP4_144	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_144	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_144	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_144	CCCN(CCC)C(=O)SCC	C759944
FP4_144	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_144	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_144	O=C(SCC)N1CCCCCC1	C2212671
FP4_144	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_144	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_144	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_144	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_144	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_144	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_144	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_144	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_144	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_144	CN1CN(C)CSC1=S	C533744
FP4_144	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_144	O=C(NCCCC)OCC#CI	C55406536
FP4_144	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_144	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_144	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_144	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_144	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_144	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_144	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_144	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_144	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_144	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_144	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP4_144	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_144	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_144	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_144	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_144	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_144	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_144	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_144	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_144	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_144	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_144	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_144	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_144	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_144	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_144	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_144	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_144	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_144	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_144	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_144	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_144	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_144	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_144	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_144	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_144	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_144	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_144	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_144	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_144	O=C(N(C)C)Cl	C79447
FP4_144	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_144	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_144	[nH]1c(=S)n(cc1)C	C60560
FP4_144	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_144	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_144	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_144	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_144	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_144	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_144	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_144	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_144	C(=O)(N)N	C57136
FP4_144	NC(=O)OCC	C51796
FP4_144	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_144	CC1(C)NC(=O)NC1=O	C77714
FP4_144	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_144	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_144	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_144	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_144	O=C(SCCC)N(CCC)CCC	C1929777
FP4_144	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_144	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_144	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_144	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP4_144	C(=O)(N)NO	C127071
FP4_144	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_144	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_144	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_144	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_144	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_144	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_144	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_144	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_144	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_144	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_144	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_144	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_144	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_144	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_144	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_144	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_144	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_144	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_144	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_144	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_144	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_144	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_144	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_144	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_144	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_144	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_144	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_144	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_144	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_144	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_144	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_144	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_144	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_144	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_144	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_144	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_144	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_144	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_144	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_144	S=C(NCCCC)NCCCC	C109466
FP4_144	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_144	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_144	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_144	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP4_144	S=C(N(C)C)SC(=S)N(C)C	C97745
FP4_144	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_144	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_144	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_144	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_144	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_144	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP4_144	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_144	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_144	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_144	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_144	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_144	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_144	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_144	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_144	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_144	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_144	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_144	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_144	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_144	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_144	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_144	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_144	NNC(=O)OCc1ccccc1	C5331431
FP4_145	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP4_145	NC(=N)NC#N	C461585
FP4_145	S=C(NCC)NCC	C105555
FP4_145	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_145	NC(=O)OC	C598550
FP4_145	CN(C(=O)N)N=O	C684935
FP4_145	O=C(N(CCCC)CC)SCCC	C1114712
FP4_145	NC(=S)N	C62566
FP4_145	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_145	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_145	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_145	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_145	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_145	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_145	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_145	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_145	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_145	O=C(N)N=NC(=O)N	C123773
FP4_145	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_145	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_145	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_145	OCNC(=O)NCO	C140954
FP4_145	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_145	O=C1OCC(C)O1	C108327
FP4_145	O=C(N)[O-].[NH4+]	C1111780
FP4_145	NNC(=S)NN	C2231574
FP4_145	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_145	[S-]C(=S)NC.[Na+]	C137428
FP4_145	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP4_145	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_145	O=C1NC2NC(=O)NC2N1	C496468
FP4_145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_145	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_145	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_145	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_145	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_145	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_145	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_145	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_145	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_145	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_145	O=C(N(C)C)Nc1ccccc1	C101428
FP4_145	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP4_145	O=C1OCC(CC)O1	C4437858
FP4_145	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_145	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_145	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_145	S=C(NC)NC	C534134
FP4_145	O=C(N)Nc1ccccc1	C64108
FP4_145	NNC(=S)NC	C6610293
FP4_145	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_145	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_145	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_145	S=C1NCCN1	C96457
FP4_145	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_145	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_145	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_145	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_145	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP4_145	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP4_145	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_145	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_145	CSC(=NOC(=O)NC)C	C16752775
FP4_145	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_145	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_145	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_145	CCCN(CCC)C(=O)SCC	C759944
FP4_145	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_145	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_145	O=C(SCC)N1CCCCCC1	C2212671
FP4_145	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_145	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_145	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_145	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_145	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_145	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_145	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_145	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_145	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_145	CN1CN(C)CSC1=S	C533744
FP4_145	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_145	O=C(NCCCC)OCC#CI	C55406536
FP4_145	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_145	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_145	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_145	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_145	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_145	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_145	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_145	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_145	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_145	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_145	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP4_145	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_145	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_145	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_145	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_145	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_145	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_145	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_145	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_145	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_145	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_145	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_145	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_145	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_145	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_145	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_145	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_145	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_145	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_145	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_145	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_145	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_145	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_145	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_145	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_145	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_145	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_145	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_145	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_145	O=C(N(C)C)Cl	C79447
FP4_145	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_145	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_145	[nH]1c(=S)n(cc1)C	C60560
FP4_145	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_145	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_145	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_145	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_145	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_145	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_145	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_145	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_145	C(=O)(N)N	C57136
FP4_145	NC(=O)OCC	C51796
FP4_145	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_145	CC1(C)NC(=O)NC1=O	C77714
FP4_145	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_145	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_145	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_145	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_145	O=C(SCCC)N(CCC)CCC	C1929777
FP4_145	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_145	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_145	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_145	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP4_145	C(=O)(N)NO	C127071
FP4_145	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_145	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_145	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_145	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_145	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_145	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_145	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_145	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_145	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_145	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_145	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_145	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_145	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_145	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_145	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_145	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_145	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_145	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_145	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_145	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_145	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_145	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_145	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_145	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_145	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_145	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_145	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_145	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_145	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_145	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_145	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_145	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_145	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_145	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_145	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_145	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_145	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_145	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_145	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_145	S=C(NCCCC)NCCCC	C109466
FP4_145	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_145	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_145	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_145	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP4_145	S=C(N(C)C)SC(=S)N(C)C	C97745
FP4_145	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_145	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_145	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_145	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_145	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_145	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP4_145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_145	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_145	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_145	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_145	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_145	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_145	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_145	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_145	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_145	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_145	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_145	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_145	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_145	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_145	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_145	NNC(=O)OCc1ccccc1	C5331431
FP4_151	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_151	NC(=O)OC	C598550
FP4_151	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_151	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_151	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_151	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_151	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_151	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_151	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_151	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_151	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_151	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_151	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_151	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_151	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_151	O=C(NCCCC)OCC#CI	C55406536
FP4_151	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_151	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_151	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_151	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_151	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_151	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_151	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_151	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_151	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_151	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_151	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_151	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_151	NC(=O)OCC	C51796
FP4_151	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_151	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_151	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_151	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_151	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_151	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_151	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_151	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_151	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_151	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_151	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_151	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_151	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_151	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_151	NNC(=O)OCc1ccccc1	C5331431
FP4_152	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_152	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_152	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_152	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_152	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_152	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_152	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_158	NNC(=S)NN	C2231574
FP4_161	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP4_161	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
FP4_161	O=C=NCCCCCCN=C=O	C822060
FP4_161	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP4_163	C=CCN=C=S	C57067
FP4_163	S=C=NC	C556616
FP4_163	S=C=NCCCSC	C505793
FP4_164	C(SC#N)SC#N	C6317186
FP4_164	N#CSCSc1nc2ccccc2s1	C21564170
FP4_164	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_164	N#CSCCCCCCCCCCCC	C765151
FP4_165	N(=C=NC1CCCCC1)C1CCCCC1	C538750
FP4_166	N(=C=NC1CCCCC1)C1CCCCC1	C538750
FP4_167	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP4_167	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP4_167	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP4_167	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP4_167	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP4_167	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_167	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_167	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_167	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_167	COc1ccc(cc1)O	C150765
FP4_167	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP4_167	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_167	Oc1ccc(cc1)c1ccccc1	C92693
FP4_167	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_167	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_167	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_167	c1(O)ccccc1C(=O)N	C65452
FP4_167	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP4_167	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_167	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_167	O=Cc1ccccc1O	C90028
FP4_167	Oc1cccc2ccccc12	C90153
FP4_167	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP4_167	Oc1ccc(Cl)cc1	C106489
FP4_167	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP4_167	Oc1c(Br)cc(Br)cc1Br	C118796
FP4_167	O=Cc1cc(OCC)c(O)cc1	C121324
FP4_167	Oc1ccc(CC)cc1	C123079
FP4_167	Oc1ccc(CCC)cc1	C645567
FP4_167	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_167	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_167	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP4_167	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP4_167	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_167	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_167	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_167	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_167	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP4_167	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_167	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_167	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_167	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP4_167	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP4_167	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP4_167	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP4_167	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP4_167	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP4_167	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_167	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP4_167	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP4_167	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP4_167	c1(c(CC)cccc1)O	C90006
FP4_167	c1c(O)cccc1CC	C620177
FP4_167	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP4_167	c1(c(ccc(c1)Cl)O)C	C1570645
FP4_167	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP4_167	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_167	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP4_167	C(=O)(c1ccc(cc1)O)OCC	C120478
FP4_167	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP4_167	c1cccc(OC)c1O	C90051
FP4_167	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_167	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP4_167	Cc1cc(O)ccc1	C108394
FP4_167	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP4_167	Oc1cc(Cl)ccc1Cl	C583788
FP4_167	N(C)(C)c1cccc(O)c1	C99070
FP4_167	Cc1c(C)cccc1O	C526750
FP4_167	Cc1cc(C)cc(O)c1	C108689
FP4_167	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP4_167	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_167	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_167	O=C(O)c1ccccc1O	C69727
FP4_167	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP4_167	O=C(O)c1ccc(O)cc1	C99967
FP4_167	Oc1ccc2ccccc2c1	C135193
FP4_167	O=S(=O)(c1ccccc1O)O	C1333397
FP4_167	Oc1cccc2c1OC(C)(C)C2	C1563388
FP4_167	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_167	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP4_167	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP4_167	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP4_167	O=C(c1ccc(O)cc1)C	C99934
FP4_167	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP4_167	Oc1cc(C)c(Cl)c(C)c1	C88040
FP4_167	CCCCCCCCCc1ccc(O)cc1	C104405
FP4_167	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_167	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_167	O=C(CBr)c1ccc(O)cc1	C2491385
FP4_167	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_167	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP4_167	Oc1ccc(CCCCCCC)cc1	C1987504
FP4_167	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP4_167	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP4_167	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP4_167	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP4_167	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP4_167	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_167	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_167	O=C(c1ccccc1O)C	C118934
FP4_167	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_167	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_167	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_167	Oc1ccccc1CN(C)C	C120650
FP4_167	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP4_167	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP4_167	O=c1ccoc(CC)c1O	C4940118
FP4_167	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP4_167	N#Cc1c(O)cccc1	C611201
FP4_167	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP4_167	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_167	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_167	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_167	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_167	Oc1cc(C(C)C)ccc1C	C499752
FP4_167	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP4_167	Oc1c(OCC)cccc1	C94713
FP4_167	Oc1ccc(C(C)C)cc1	C99898
FP4_167	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP4_167	Oc1c(C(C)C)cccc1	C88697
FP4_167	Oc1cc(C(C)C)ccc1	C618451
FP4_167	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_167	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_167	Oc1cc(C(C)(C)C)ccc1	C585342
FP4_167	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_167	Oc1ccc(CCCC)cc1	C1638228
FP4_167	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_167	O=C(c1ccccc1)c1ccccc1O	C117997
FP4_167	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP4_167	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP4_167	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP4_167	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP4_167	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_167	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_167	Oc1ccc(OCCCCCC)cc1	C18979550
FP4_167	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP4_167	Oc1c(cccc1)c1ccccc1	C90437
FP4_167	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP4_167	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP4_167	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_167	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP4_167	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_167	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_167	c1(ccc(cc1)O)NC(=O)C	C103902
FP4_167	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_167	CC(C)(C)c1cc(O)ccc1O	C1948330
FP4_167	C(c1ccc(O)cc1)(C)(C)C	C98544
FP4_167	Oc1c(cccc1)O	C120809
FP4_167	Clc1c(ccc(c1)Cl)O	C120832
FP4_167	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_167	Oc1c(cc(cc1)CC=C)OC	C97530
FP4_167	Oc1c(ccc(c1)O)CCCCCC	C136776
FP4_167	Oc1ccc(cc1)O	C123319
FP4_167	Oc1cccc2cccnc12	C148243
FP4_167	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP4_167	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_167	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP4_167	Oc1ccccc1	C108952
FP4_167	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP4_167	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP4_167	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_167	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_167	Oc1cc(ccc1)O	C108463
FP4_167	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_167	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_167	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP4_167	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP4_167	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_167	Oc1ccccc1Cl	C95578
FP4_167	Oc1cc(C)c(Cl)cc1	C59507
FP4_167	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP4_167	Oc1c(C)cccc1	C95487
FP4_167	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_167	Oc1c(C)cc(C)cc1	C105679
FP4_167	Oc1ccc(C)cc1	C106445
FP4_167	c1(C=O)cc(OC)c(O)cc1	C121335
FP4_167	Oc1c(C)cc(C)cc1C	C527606
FP4_167	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_167	Oc1c(C)c(C)ccc1C	C2416946
FP4_167	Oc1ccc(CCCCCCCC)cc1	C1806264
FP4_167	c1(c(O)cccc1)C(CC)C	C89725
FP4_167	c1(ccc(cc1)O)C(CC)C	C99718
FP4_167	Oc1ccc(C=CC)cc1OC	C97541
FP4_167	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP4_167	C(=O)(c1ccc(cc1)O)OC	C99763
FP4_167	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_167	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_167	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_167	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_167	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_167	Oc1cc(C)c(C)cc1	C95658
FP4_167	Oc1c(cccc1C)C	C576261
FP4_167	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP4_167	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_167	Oc1c(ccc(N)c1)C	C2835952
FP4_167	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP4_167	Oc1c(ccc(C)c1)C	C95874
FP4_167	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP4_167	o1c(C)c(O)c(=O)cc1	C118718
FP4_167	O=C(OC)c1c(O)cccc1	C119368
FP4_167	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP4_167	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP4_167	Oc1c(C(C)(C)C)cccc1	C88186
FP4_167	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP4_167	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP4_167	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP4_167	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP4_167	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_167	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_167	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP4_167	Oc1cc(C)ccc1C(C)C	C89838
FP4_167	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP4_167	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP4_167	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_167	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP4_167	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP4_167	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP4_167	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_167	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_167	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP4_167	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_167	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_167	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_167	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP4_167	Oc1cc2c(cccc2)c2ccccc12	C484173
FP4_167	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP4_167	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_167	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_167	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP4_167	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP4_167	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_167	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP4_167	c1ccccc1Oc1ccc(O)cc1	C831823
FP4_167	c1c(I)c(O)c(I)cc1C#N	C1689834
FP4_167	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_167	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_167	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP4_167	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_167	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP4_167	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP4_167	CCCCCc1cc(O)cc(O)c1	C500663
FP4_167	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP4_167	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_167	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP4_167	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP4_167	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP4_167	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_167	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP4_167	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_167	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP4_167	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP4_167	Oc1ccc(cc1)Nc1ccccc1	C122372
FP4_167	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP4_167	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_167	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP4_167	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP4_167	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP4_167	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_167	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_167	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP4_167	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP4_167	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_167	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP4_167	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_167	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_167	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_167	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP4_167	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP4_167	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP4_167	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP4_167	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP4_167	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_167	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_167	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP4_168	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_168	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP4_168	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_168	Oc1c(cccc1)O	C120809
FP4_168	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP4_168	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_168	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_168	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_168	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP4_168	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP4_168	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_168	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_168	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP4_168	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_168	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP4_168	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP4_169	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_169	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_169	Clc1c(ccc(c1)N)C	C95749
FP4_169	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
FP4_169	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
FP4_169	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP4_169	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_169	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP4_169	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP4_169	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP4_169	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP4_169	Nc1cc(Cl)c(Cl)cc1	C95761
FP4_169	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP4_169	Oc1ccc(Cl)cc1	C106489
FP4_169	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
FP4_169	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP4_169	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_169	c1(c(ccc(c1)Cl)O)C	C1570645
FP4_169	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_169	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_169	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_169	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP4_169	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP4_169	C(F)(F)(F)c1ccc(Cl)cc1	C98566
FP4_169	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP4_169	Oc1cc(Cl)ccc1Cl	C583788
FP4_169	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_169	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP4_169	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_169	Clc1ccc(C(F)(F)F)cc1Cl	C328847
FP4_169	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_169	Clc1cccc(C)c1	C25168052
FP4_169	Nc1cc(Cl)cc(Cl)c1	C626437
FP4_169	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP4_169	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_169	Oc1cc(C)c(Cl)c(C)c1	C88040
FP4_169	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_169	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP4_169	Clc1c(Cl)ssc1=O	C1192525
FP4_169	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_169	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_169	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_169	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP4_169	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_169	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_169	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_169	O=C(COc1ccc(Cl)cc1)O	C122883
FP4_169	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_169	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_169	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_169	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_169	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_169	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_169	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP4_169	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_169	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP4_169	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_169	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_169	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_169	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_169	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_169	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_169	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_169	Clc1ccc(CCCC)cc1	C15499271
FP4_169	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_169	Clc1ccc(CCCCC)cc1	C79098207
FP4_169	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_169	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_169	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP4_169	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP4_169	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_169	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP4_169	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_169	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP4_169	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP4_169	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_169	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP4_169	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_169	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_169	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_169	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_169	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_169	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP4_169	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_169	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_169	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_169	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_169	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP4_169	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP4_169	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_169	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_169	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_169	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP4_169	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_169	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_169	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_169	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_169	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_169	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_169	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_169	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_169	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_169	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_169	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_169	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_169	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP4_169	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_169	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_169	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_169	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP4_169	N#Cc1c(Cl)cccc1Cl	C1194656
FP4_169	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_169	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_169	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_169	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_169	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_169	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_169	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_169	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP4_169	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_169	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_169	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_169	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_169	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_169	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_169	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_169	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_169	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_169	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_169	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP4_169	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_169	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP4_169	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_169	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_169	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_169	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_169	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_169	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_169	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_169	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_169	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP4_169	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_169	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_169	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_169	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_169	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_169	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_169	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_169	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_169	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP4_169	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_169	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_169	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_169	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_169	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_169	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_169	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_169	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_169	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_169	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_169	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_169	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_169	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_169	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_169	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_169	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_169	Clc1nc(NCC)nc(N)n1	C1007289
FP4_169	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_169	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_169	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_169	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP4_169	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_169	Nc1c(ccc(c1)Cl)N	C95830
FP4_169	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_169	Nc1ccc(cc1)Cl	C106478
FP4_169	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP4_169	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_169	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP4_169	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
FP4_169	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
FP4_169	Clc1c(cccc1)Cl	C95501
FP4_169	Clc1ccc(cc1)Cl	C106467
FP4_169	Clc1c(ccc(c1)Cl)O	C120832
FP4_169	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_169	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP4_169	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_169	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_169	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP4_169	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_169	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP4_169	Oc1ccccc1Cl	C95578
FP4_169	Oc1cc(C)c(Cl)cc1	C59507
FP4_169	Clc1c(Cl)cc(Cl)cc1	C120821
FP4_169	Clc1cc(Cl)ccc1	C541731
FP4_169	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_169	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_169	Cc1ccccc1Cl	C95498
FP4_169	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP4_169	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_169	Clc1cc(Cl)c(Cl)cc1Cl	C95943
FP4_169	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP4_169	Cc1ccc(Cl)cc1	C106434
FP4_169	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP4_169	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_169	Clc1c(Cl)cccc1Cl	C87616
FP4_169	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_169	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
FP4_169	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_169	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_169	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP4_169	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_169	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_169	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_169	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_169	O=c1n(C)sc(Cl)c1	C26172554
FP4_169	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_169	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_169	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_169	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP4_169	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP4_169	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP4_169	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_169	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_169	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP4_169	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_169	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_169	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_169	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_169	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP4_169	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_169	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_169	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_169	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP4_169	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_169	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP4_169	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP4_169	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_169	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_169	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_169	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_169	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_169	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_169	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_169	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_169	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_169	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_169	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_169	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_169	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_169	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_169	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_169	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_169	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_169	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_169	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_169	Clc1ccc(N)cc1.Cl	C20265967
FP4_169	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
FP4_169	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
FP4_169	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_169	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP4_169	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
FP4_169	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP4_169	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP4_169	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_169	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_169	C(=O)(O)c1ccc(Cl)cc1	C74113
FP4_169	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_169	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_169	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_169	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP4_169	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_169	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_169	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_169	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_169	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_169	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP4_169	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_169	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_169	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP4_169	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP4_169	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_169	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP4_169	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP4_169	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_169	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_169	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_169	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_169	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP4_169	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP4_169	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_169	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_169	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_169	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_169	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_169	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_169	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP4_169	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_169	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
FP4_169	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_169	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP4_169	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_169	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP4_169	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP4_170	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_170	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_170	Brc1ccc(F)cc1	C460004
FP4_170	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_170	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_170	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_170	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_170	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_170	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_170	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_170	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_170	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_170	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_170	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_170	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_170	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_170	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_170	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_170	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_170	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_170	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_170	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_170	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_170	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_170	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_170	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_170	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_170	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_170	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_170	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_170	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_170	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_170	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP4_170	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_170	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_170	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_170	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_170	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP4_170	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_170	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_170	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_170	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_170	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_170	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_170	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_170	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_170	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_170	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_170	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_170	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_170	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_170	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_170	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_170	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_170	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_170	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP4_170	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_170	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_170	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_170	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_170	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_170	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_170	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_170	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_170	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_170	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_170	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_170	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_170	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_170	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_170	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_170	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_170	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_170	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP4_170	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_171	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_171	Oc1c(Br)cc(Br)cc1Br	C118796
FP4_171	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_171	Brc1ccc(F)cc1	C460004
FP4_171	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_171	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_171	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP4_171	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_171	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP4_171	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_171	Brc1ccc(Oc2ccccc2)cc1	C101553
FP4_171	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP4_171	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_171	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_171	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_171	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_171	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_171	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_171	Nc1ccc(Br)cc1	C106401
FP4_171	Brc1ccccc1c1ccccc1	C2052075
FP4_171	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP4_171	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_171	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP4_171	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP4_171	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_171	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_171	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP4_171	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_171	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_172	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_172	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_172	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_172	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_172	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_172	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_172	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_172	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP4_172	c1c(I)c(O)c(I)cc1C#N	C1689834
FP4_172	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_172	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_173	Sc1ccccc1	C108985
FP4_173	Sc1ccc(C)cc1	C106456
FP4_173	Sc1ccc(C(C)(C)C)cc1	C2396681
FP4_173	Sc1nc2c(cccc2)s1	C149304
FP4_175	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_175	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_175	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_175	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_175	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_175	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_175	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_175	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_175	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_175	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_175	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_175	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_175	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_175	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_175	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_175	Clc1c(Cl)ssc1=O	C1192525
FP4_175	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_175	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_175	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_175	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_175	O=c1ccoc(CC)c1O	C4940118
FP4_175	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_175	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_175	O=c1ccc(=O)[nH][nH]1	C123331
FP4_175	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_175	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_175	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_175	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_175	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_175	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_175	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_175	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_175	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_175	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_175	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_175	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_175	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_175	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_175	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_175	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_175	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_175	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_175	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_175	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_175	O=c1oc2c(cccc2)cc1	C91645
FP4_175	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_175	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_175	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_175	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_175	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_175	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_175	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_175	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_175	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_175	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_175	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_175	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP4_175	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_175	o1c(C)c(O)c(=O)cc1	C118718
FP4_175	O=c1ccsn1CCCCCCCC	C26530201
FP4_175	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_175	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_175	O=c1[nH]sc2c1cccc2	C2634335
FP4_175	O=c1n(C)sc(Cl)c1	C26172554
FP4_175	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_175	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_175	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_175	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_175	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_175	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_175	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_175	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_175	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_175	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_175	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_175	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_175	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_175	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_175	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_175	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_175	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_175	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_175	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_175	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_175	O=c1cc(C)o[nH]1	C10004441
FP4_175	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_175	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_175	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_175	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_176	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_176	[nH]1c(=S)n(cc1)C	C60560
FP4_176	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_176	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_176	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_177	c1(nc[nH]n1)N	C61825
FP4_177	[nH]1c2c(cccc2)nn1	C95147
FP4_177	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_177	c1cccc2[nH]ccc12	C120729
FP4_177	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_177	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_177	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_177	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_177	Cc1cccc2nn[nH]c12	C29385431
FP4_177	n1c[nH]cc1	C288324
FP4_177	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_177	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_177	O=c1ccc(=O)[nH][nH]1	C123331
FP4_177	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_177	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_177	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_177	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_177	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_177	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_177	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_177	[nH]1c(=S)n(cc1)C	C60560
FP4_177	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_177	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_177	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_177	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_177	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_177	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_177	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_177	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_177	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_177	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_177	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_177	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_177	[nH]1ncnc1	C288880
FP4_177	O=c1[nH]sc2c1cccc2	C2634335
FP4_177	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_177	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_177	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_177	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_177	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_177	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_177	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_177	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_177	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_177	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_177	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_177	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_177	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_177	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_177	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_177	OCc1c[nH]c2c1cccc2	C700061
FP4_177	O=c1cc(C)o[nH]1	C10004441
FP4_177	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_177	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_178	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_178	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_178	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_178	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_178	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_178	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_178	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_178	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_178	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_178	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_178	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_178	OCn1nc(C)cc1C	C85264331
FP4_178	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_178	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_178	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_178	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_178	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_178	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_178	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_178	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_178	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_178	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_178	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_178	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_178	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_178	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_178	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_178	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_178	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_178	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_178	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_178	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_178	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_178	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_178	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_178	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_178	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_178	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_178	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_178	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_178	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_178	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_178	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_178	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_178	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_178	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_178	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_178	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_178	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_178	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_178	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_178	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_178	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_178	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_178	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_178	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_178	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_178	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_178	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_178	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_178	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_178	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_178	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_178	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_178	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_178	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_178	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_178	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_178	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_178	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_178	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_178	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_178	[nH]1c(=S)n(cc1)C	C60560
FP4_178	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_178	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_178	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_178	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_178	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_178	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_178	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_178	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_178	O=c1ccsn1CCCCCCCC	C26530201
FP4_178	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_178	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_178	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_178	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_178	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_178	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_178	Nn1cnnc1	C584134
FP4_178	O=c1n(C)sc(Cl)c1	C26172554
FP4_178	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_178	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_178	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_178	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_178	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_178	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_178	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_178	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_178	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_178	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_178	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_178	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_178	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_178	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_178	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_178	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_178	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_178	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_178	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_178	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_178	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_178	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_178	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_178	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_178	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_178	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_178	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_178	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_178	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_178	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_178	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_178	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_178	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_178	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_178	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_178	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_178	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_178	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_178	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_178	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_178	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_178	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_179	c1(nc[nH]n1)N	C61825
FP4_179	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_179	[nH]1c2c(cccc2)nn1	C95147
FP4_179	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_179	NC(=O)c1cccnc1	C98920
FP4_179	OC(=O)c1cccnc1	C59676
FP4_179	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_179	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_179	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_179	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_179	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_179	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_179	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_179	c1ccc2ncsc2c1	C95169
FP4_179	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_179	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_179	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_179	c12ncccc1ccc1c2nccc1	C66717
FP4_179	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_179	Cc1cccc2nn[nH]c12	C29385431
FP4_179	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_179	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_179	n1c[nH]cc1	C288324
FP4_179	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_179	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_179	OCn1nc(C)cc1C	C85264331
FP4_179	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_179	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_179	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_179	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_179	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_179	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_179	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_179	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_179	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_179	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_179	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_179	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_179	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP4_179	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_179	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_179	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_179	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_179	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_179	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_179	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_179	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_179	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_179	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_179	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_179	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_179	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_179	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_179	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_179	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_179	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_179	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_179	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_179	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_179	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_179	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_179	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_179	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_179	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_179	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_179	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_179	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_179	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_179	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_179	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_179	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_179	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_179	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_179	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_179	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_179	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_179	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_179	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_179	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_179	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_179	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_179	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_179	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_179	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_179	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_179	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_179	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_179	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_179	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_179	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_179	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_179	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_179	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_179	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_179	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_179	O=C(SC)c1cccc2c1snn2	C135158542
FP4_179	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_179	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_179	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_179	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_179	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_179	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_179	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_179	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_179	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_179	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_179	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_179	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_179	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_179	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_179	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_179	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_179	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_179	N#CSCSc1nc2ccccc2s1	C21564170
FP4_179	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_179	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_179	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_179	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_179	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_179	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_179	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_179	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_179	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_179	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_179	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_179	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_179	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_179	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_179	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_179	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_179	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_179	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_179	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_179	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_179	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_179	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_179	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_179	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_179	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_179	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_179	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_179	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_179	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_179	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_179	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_179	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_179	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_179	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_179	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_179	Clc1nc(NCC)nc(N)n1	C1007289
FP4_179	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_179	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_179	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_179	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_179	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_179	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_179	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_179	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_179	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_179	Oc1cccc2cccnc12	C148243
FP4_179	O=C(c1ccncc1)NN	C54853
FP4_179	Sc1nc2c(cccc2)s1	C149304
FP4_179	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_179	Cc1cc2cccnc2cc1	C91623
FP4_179	CN1CCC[C@H]1c1cnccc1	C54115
FP4_179	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_179	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_179	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_179	n1cccc2c1cccc2	C91225
FP4_179	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_179	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_179	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_179	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_179	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_179	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_179	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_179	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_179	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_179	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_179	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_179	N#Cc1cnccc1	C100549
FP4_179	[nH]1ncnc1	C288880
FP4_179	c1(c2ccncc2)ccncc1	C553264
FP4_179	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_179	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_179	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_179	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_179	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_179	Nn1cnnc1	C584134
FP4_179	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_179	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_179	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_179	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_179	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_179	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_179	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_179	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_179	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_179	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_179	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_179	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_179	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_179	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_179	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_179	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_179	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_179	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_179	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_179	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_179	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_179	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_179	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_179	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_179	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_179	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_179	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_179	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_179	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_179	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_179	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_179	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_179	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_179	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_179	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_179	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_179	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_179	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_179	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_179	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_179	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_179	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_179	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_179	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_179	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_179	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_179	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_179	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_179	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_179	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_179	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_179	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_179	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_179	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_179	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_179	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_179	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_179	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_179	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_179	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_179	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_179	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_179	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_179	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_179	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_179	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_179	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_179	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_179	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_179	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_179	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_179	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_179	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_179	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_179	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_179	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_179	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_179	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_179	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_179	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_179	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_179	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_179	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_179	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_179	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_179	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_179	n1cc(C)ccc1	C108996
FP4_179	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_179	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_179	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_179	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_179	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_179	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_179	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_179	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_179	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_179	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_179	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_179	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_179	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_179	c12ccccc1ccc1c2cccn1	C85029
FP4_179	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_179	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_179	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_179	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_179	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_179	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_179	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_179	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_179	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_179	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_179	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_179	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_179	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_179	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_179	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_179	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_179	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_179	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_179	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP4_179	Nc1cccc(C)n1	C1824813
FP4_179	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_179	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_179	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_180	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_180	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_180	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_180	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_180	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_180	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_180	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_180	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_180	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_180	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_180	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_180	c1c(CO)occ1	C98000
FP4_180	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_180	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_180	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_180	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_180	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_180	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_180	O=c1ccoc(CC)c1O	C4940118
FP4_180	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_180	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_180	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_180	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_180	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_180	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_180	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_180	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_180	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_180	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_180	c1coc2c1cccc2	C271896
FP4_180	O=c1oc2c(cccc2)cc1	C91645
FP4_180	O=Cc1ccco1	C98011
FP4_180	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_180	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_180	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_180	c1cccc2c3ccccc3oc12	C132649
FP4_180	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_180	o1c(C)c(O)c(=O)cc1	C118718
FP4_180	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_180	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_180	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_180	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_180	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_180	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_180	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_180	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_180	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_180	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_180	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_180	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_180	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_180	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_180	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_180	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_180	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_180	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_180	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_180	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_180	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_180	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_180	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_180	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_180	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_180	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_180	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_180	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_180	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_180	O=c1cc(C)o[nH]1	C10004441
FP4_180	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_180	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_180	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_180	CCCCCc1ccco1	C3777693
FP4_181	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_181	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_181	c1ccc2ncsc2c1	C95169
FP4_181	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_181	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_181	Clc1c(Cl)ssc1=O	C1192525
FP4_181	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_181	c12ccccc1c1c(cccc1)s2	C132650
FP4_181	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_181	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_181	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_181	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_181	O=C(SC)c1cccc2c1snn2	C135158542
FP4_181	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_181	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_181	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_181	N#CSCSc1nc2ccccc2s1	C21564170
FP4_181	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_181	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_181	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_181	Sc1nc2c(cccc2)s1	C149304
FP4_181	O=c1ccsn1CCCCCCCC	C26530201
FP4_181	O=c1[nH]sc2c1cccc2	C2634335
FP4_181	O=c1n(C)sc(Cl)c1	C26172554
FP4_181	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_181	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_181	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_181	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_181	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_181	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_181	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_181	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_181	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_181	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_181	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_181	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_181	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_181	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_181	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_181	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_181	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_181	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_181	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_181	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_181	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_181	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP4_181	c1(SSc2cccs2)cccs1	C6911519
FP4_181	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_182	c1(nc[nH]n1)N	C61825
FP4_182	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_182	[nH]1c2c(cccc2)nn1	C95147
FP4_182	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_182	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_182	c1cccc2[nH]ccc12	C120729
FP4_182	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_182	NC(=O)c1cccnc1	C98920
FP4_182	OC(=O)c1cccnc1	C59676
FP4_182	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_182	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_182	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_182	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_182	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_182	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_182	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_182	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_182	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_182	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_182	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_182	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_182	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_182	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_182	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_182	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_182	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_182	c1ccc2ncsc2c1	C95169
FP4_182	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_182	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_182	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_182	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_182	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_182	c1c(CO)occ1	C98000
FP4_182	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_182	c12ncccc1ccc1c2nccc1	C66717
FP4_182	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_182	Cc1cccc2nn[nH]c12	C29385431
FP4_182	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_182	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_182	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_182	n1c[nH]cc1	C288324
FP4_182	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_182	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_182	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_182	OCn1nc(C)cc1C	C85264331
FP4_182	Clc1c(Cl)ssc1=O	C1192525
FP4_182	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_182	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_182	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_182	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_182	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_182	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_182	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_182	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_182	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_182	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_182	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_182	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_182	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_182	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_182	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_182	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP4_182	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_182	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_182	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_182	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_182	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_182	O=c1ccoc(CC)c1O	C4940118
FP4_182	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_182	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_182	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_182	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_182	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_182	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_182	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_182	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_182	c12ccccc1c1c(cccc1)s2	C132650
FP4_182	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_182	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_182	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_182	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_182	O=c1ccc(=O)[nH][nH]1	C123331
FP4_182	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_182	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_182	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_182	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_182	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_182	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_182	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_182	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_182	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_182	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_182	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_182	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_182	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_182	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_182	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_182	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_182	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_182	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_182	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_182	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_182	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_182	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_182	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_182	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_182	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_182	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_182	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_182	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_182	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_182	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_182	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_182	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_182	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_182	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_182	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_182	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_182	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_182	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_182	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_182	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_182	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_182	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_182	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_182	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_182	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_182	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_182	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_182	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_182	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_182	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_182	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_182	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_182	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_182	O=C(SC)c1cccc2c1snn2	C135158542
FP4_182	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_182	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_182	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_182	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_182	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_182	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_182	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_182	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_182	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_182	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_182	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_182	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_182	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_182	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_182	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_182	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_182	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_182	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_182	N#CSCSc1nc2ccccc2s1	C21564170
FP4_182	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_182	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_182	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_182	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_182	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_182	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_182	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_182	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_182	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_182	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_182	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_182	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_182	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_182	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_182	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_182	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_182	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_182	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_182	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_182	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_182	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_182	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_182	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_182	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_182	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_182	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_182	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_182	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_182	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_182	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_182	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_182	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_182	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_182	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_182	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_182	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_182	Clc1nc(NCC)nc(N)n1	C1007289
FP4_182	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_182	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_182	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_182	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_182	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_182	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_182	c1coc2c1cccc2	C271896
FP4_182	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_182	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_182	O=c1oc2c(cccc2)cc1	C91645
FP4_182	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_182	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_182	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_182	O=Cc1ccco1	C98011
FP4_182	Oc1cccc2cccnc12	C148243
FP4_182	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_182	O=C(c1ccncc1)NN	C54853
FP4_182	Sc1nc2c(cccc2)s1	C149304
FP4_182	[nH]1c(=S)n(cc1)C	C60560
FP4_182	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_182	Cc1cc2cccnc2cc1	C91623
FP4_182	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_182	CN1CCC[C@H]1c1cnccc1	C54115
FP4_182	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_182	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_182	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_182	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_182	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_182	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_182	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_182	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_182	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_182	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_182	n1cccc2c1cccc2	C91225
FP4_182	c1cccc2c3ccccc3oc12	C132649
FP4_182	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_182	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_182	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_182	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_182	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_182	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_182	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_182	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_182	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_182	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_182	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_182	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_182	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_182	o1c(C)c(O)c(=O)cc1	C118718
FP4_182	O=c1ccsn1CCCCCCCC	C26530201
FP4_182	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_182	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_182	N#Cc1cnccc1	C100549
FP4_182	[nH]1ncnc1	C288880
FP4_182	c1(c2ccncc2)ccncc1	C553264
FP4_182	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_182	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_182	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_182	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_182	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_182	O=c1[nH]sc2c1cccc2	C2634335
FP4_182	Nn1cnnc1	C584134
FP4_182	O=c1n(C)sc(Cl)c1	C26172554
FP4_182	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_182	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_182	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_182	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_182	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_182	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_182	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_182	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_182	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_182	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_182	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_182	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_182	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_182	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_182	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_182	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_182	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_182	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_182	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_182	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_182	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_182	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_182	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_182	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_182	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_182	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_182	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_182	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_182	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_182	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_182	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_182	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_182	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_182	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_182	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_182	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_182	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_182	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_182	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_182	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_182	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_182	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_182	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_182	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_182	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_182	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_182	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_182	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_182	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_182	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_182	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_182	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_182	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_182	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_182	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_182	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_182	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_182	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_182	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_182	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_182	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_182	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_182	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_182	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_182	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_182	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_182	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_182	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_182	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_182	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_182	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_182	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_182	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_182	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_182	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_182	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_182	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_182	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_182	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_182	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_182	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_182	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_182	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_182	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_182	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_182	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_182	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_182	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_182	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_182	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_182	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_182	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_182	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_182	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_182	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_182	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_182	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_182	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_182	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_182	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_182	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_182	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_182	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_182	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_182	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_182	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_182	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_182	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_182	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_182	n1cc(C)ccc1	C108996
FP4_182	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_182	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_182	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_182	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_182	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_182	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_182	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_182	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_182	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_182	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_182	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_182	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_182	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_182	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_182	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_182	c12ccccc1ccc1c2cccn1	C85029
FP4_182	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_182	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_182	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_182	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_182	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_182	OCc1c[nH]c2c1cccc2	C700061
FP4_182	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_182	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_182	O=c1cc(C)o[nH]1	C10004441
FP4_182	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_182	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_182	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_182	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_182	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_182	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP4_182	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_182	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_182	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_182	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_182	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_182	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_182	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_182	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_182	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_182	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_182	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_182	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_182	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP4_182	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_182	Nc1cccc(C)n1	C1824813
FP4_182	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_182	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_182	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_182	c1(SSc2cccs2)cccs1	C6911519
FP4_182	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_182	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_182	CCCCCc1ccco1	C3777693
FP4_183	c1(nc[nH]n1)N	C61825
FP4_183	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_183	[nH]1c2c(cccc2)nn1	C95147
FP4_183	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_183	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_183	c1cccc2[nH]ccc12	C120729
FP4_183	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_183	NC(=O)c1cccnc1	C98920
FP4_183	OC(=O)c1cccnc1	C59676
FP4_183	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_183	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_183	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_183	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_183	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_183	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_183	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_183	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_183	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_183	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_183	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_183	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_183	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_183	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_183	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_183	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_183	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_183	c1ccc2ncsc2c1	C95169
FP4_183	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_183	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_183	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_183	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_183	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_183	c1c(CO)occ1	C98000
FP4_183	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_183	c12ncccc1ccc1c2nccc1	C66717
FP4_183	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_183	Cc1cccc2nn[nH]c12	C29385431
FP4_183	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_183	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_183	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_183	n1c[nH]cc1	C288324
FP4_183	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_183	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_183	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_183	OCn1nc(C)cc1C	C85264331
FP4_183	Clc1c(Cl)ssc1=O	C1192525
FP4_183	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_183	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_183	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_183	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_183	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_183	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_183	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_183	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_183	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_183	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_183	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_183	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_183	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_183	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_183	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_183	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP4_183	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_183	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_183	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_183	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_183	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_183	O=c1ccoc(CC)c1O	C4940118
FP4_183	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_183	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_183	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_183	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_183	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_183	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_183	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_183	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_183	c12ccccc1c1c(cccc1)s2	C132650
FP4_183	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_183	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_183	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_183	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_183	O=c1ccc(=O)[nH][nH]1	C123331
FP4_183	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_183	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_183	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_183	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_183	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_183	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_183	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_183	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_183	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_183	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_183	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_183	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_183	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_183	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_183	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_183	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_183	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_183	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_183	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_183	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_183	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_183	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_183	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_183	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_183	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_183	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_183	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_183	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_183	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_183	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_183	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_183	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_183	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_183	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_183	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_183	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_183	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_183	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_183	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_183	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_183	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_183	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_183	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_183	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_183	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_183	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_183	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_183	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_183	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_183	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_183	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_183	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_183	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_183	O=C(SC)c1cccc2c1snn2	C135158542
FP4_183	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_183	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_183	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_183	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_183	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_183	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_183	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_183	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_183	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_183	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_183	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_183	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_183	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_183	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_183	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_183	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_183	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_183	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_183	N#CSCSc1nc2ccccc2s1	C21564170
FP4_183	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_183	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_183	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_183	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_183	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_183	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_183	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_183	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_183	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_183	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_183	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_183	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_183	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_183	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_183	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_183	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_183	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_183	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_183	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_183	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_183	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_183	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_183	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_183	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_183	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_183	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_183	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_183	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_183	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_183	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_183	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_183	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_183	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_183	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_183	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_183	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_183	Clc1nc(NCC)nc(N)n1	C1007289
FP4_183	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_183	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_183	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_183	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_183	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_183	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_183	c1coc2c1cccc2	C271896
FP4_183	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_183	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_183	O=c1oc2c(cccc2)cc1	C91645
FP4_183	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_183	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_183	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_183	O=Cc1ccco1	C98011
FP4_183	Oc1cccc2cccnc12	C148243
FP4_183	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_183	O=C(c1ccncc1)NN	C54853
FP4_183	Sc1nc2c(cccc2)s1	C149304
FP4_183	[nH]1c(=S)n(cc1)C	C60560
FP4_183	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_183	Cc1cc2cccnc2cc1	C91623
FP4_183	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_183	CN1CCC[C@H]1c1cnccc1	C54115
FP4_183	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_183	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_183	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_183	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_183	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_183	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_183	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_183	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_183	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_183	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_183	n1cccc2c1cccc2	C91225
FP4_183	c1cccc2c3ccccc3oc12	C132649
FP4_183	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_183	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_183	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_183	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_183	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_183	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_183	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_183	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_183	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_183	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_183	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_183	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_183	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_183	o1c(C)c(O)c(=O)cc1	C118718
FP4_183	O=c1ccsn1CCCCCCCC	C26530201
FP4_183	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_183	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_183	N#Cc1cnccc1	C100549
FP4_183	[nH]1ncnc1	C288880
FP4_183	c1(c2ccncc2)ccncc1	C553264
FP4_183	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_183	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_183	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_183	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_183	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_183	O=c1[nH]sc2c1cccc2	C2634335
FP4_183	Nn1cnnc1	C584134
FP4_183	O=c1n(C)sc(Cl)c1	C26172554
FP4_183	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_183	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_183	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_183	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_183	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_183	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_183	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_183	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_183	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_183	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_183	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_183	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_183	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_183	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_183	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_183	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_183	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_183	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_183	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_183	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_183	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_183	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_183	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_183	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_183	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_183	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_183	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_183	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_183	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_183	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_183	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_183	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_183	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_183	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_183	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_183	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_183	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_183	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_183	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_183	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_183	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_183	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_183	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_183	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_183	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_183	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_183	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_183	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_183	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_183	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_183	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_183	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_183	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_183	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_183	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_183	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_183	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_183	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_183	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_183	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_183	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_183	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_183	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_183	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_183	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_183	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_183	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_183	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_183	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_183	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_183	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_183	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_183	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_183	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_183	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_183	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_183	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_183	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_183	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_183	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_183	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_183	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_183	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_183	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_183	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_183	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_183	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_183	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_183	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_183	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_183	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_183	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_183	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_183	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_183	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_183	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_183	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_183	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_183	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_183	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_183	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_183	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_183	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_183	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_183	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_183	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_183	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_183	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_183	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_183	n1cc(C)ccc1	C108996
FP4_183	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_183	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_183	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_183	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_183	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_183	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_183	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_183	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_183	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_183	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_183	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_183	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_183	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_183	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_183	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_183	c12ccccc1ccc1c2cccn1	C85029
FP4_183	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_183	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_183	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_183	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_183	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_183	OCc1c[nH]c2c1cccc2	C700061
FP4_183	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_183	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_183	O=c1cc(C)o[nH]1	C10004441
FP4_183	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_183	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_183	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_183	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_183	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_183	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP4_183	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_183	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_183	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_183	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_183	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_183	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_183	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_183	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_183	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_183	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_183	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_183	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_183	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP4_183	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_183	Nc1cccc(C)n1	C1824813
FP4_183	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_183	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_183	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_183	c1(SSc2cccs2)cccs1	C6911519
FP4_183	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_183	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_183	CCCCCc1ccco1	C3777693
FP4_187	N(c1ccc(cc1)N=O)c1ccccc1	C156105
FP4_188	[Na+].[N-]=[N+]=[N-]	C26628228
FP4_188	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_193	CN(C(=O)N)N=O	C684935
FP4_207	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_207	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_207	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_207	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_207	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_207	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_207	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_207	O=S(=O)(N)O	C5329146
FP4_207	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_207	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_207	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_207	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_207	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_207	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_207	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_207	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_207	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_207	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_207	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_207	O=S(=O)(OCC)OCC	C64675
FP4_207	O=S(=O)(OC)OC	C77781
FP4_207	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_207	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_207	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_207	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_207	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_207	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_207	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_208	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_208	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_208	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_208	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_208	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_208	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_208	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_208	O=S(=O)(N)O	C5329146
FP4_208	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_208	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_208	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_208	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_208	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_208	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_208	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_208	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_208	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_208	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_208	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_208	O=S(=O)(OCC)OCC	C64675
FP4_208	O=S(=O)(OC)OC	C77781
FP4_208	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_208	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_208	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_208	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_208	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_208	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_208	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_209	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_209	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_209	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_209	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_209	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_209	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_209	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_209	O=S(=O)(N)O	C5329146
FP4_209	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_209	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_209	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_209	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_209	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_209	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_209	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_209	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_209	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_209	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_209	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_209	O=S(=O)(OCC)OCC	C64675
FP4_209	O=S(=O)(OC)OC	C77781
FP4_209	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_209	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_209	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_209	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_209	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_209	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_209	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_210	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_210	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_210	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_210	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_210	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_210	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_210	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_210	O=S(=O)(N)O	C5329146
FP4_210	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_210	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_210	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_210	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_210	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_210	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_210	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_210	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_210	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_210	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_210	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_210	O=S(=O)(OCC)OCC	C64675
FP4_210	O=S(=O)(OC)OC	C77781
FP4_210	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_210	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_210	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_210	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_210	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_210	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_210	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_211	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_211	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_211	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_211	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_211	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_211	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_211	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_211	O=S(=O)(N)O	C5329146
FP4_211	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_211	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_211	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_211	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_211	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_211	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_211	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_211	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_211	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_211	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_211	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_211	O=S(=O)(OCC)OCC	C64675
FP4_211	O=S(=O)(OC)OC	C77781
FP4_211	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_211	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_211	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_211	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_211	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_211	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_211	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_212	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_212	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_212	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_212	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_212	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_212	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_212	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_212	O=S(=O)(N)O	C5329146
FP4_212	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_212	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_212	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_212	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_212	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_212	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_212	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_212	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_212	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_212	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_212	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_212	O=S(=O)(OCC)OCC	C64675
FP4_212	O=S(=O)(OC)OC	C77781
FP4_212	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_212	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_212	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_212	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_212	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_212	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_212	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_213	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_213	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_213	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_213	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_213	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_213	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_213	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_213	O=S(=O)(N)O	C5329146
FP4_213	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_213	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_213	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_213	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_213	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_213	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_213	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_213	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_213	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_213	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_213	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_213	O=S(=O)(OCC)OCC	C64675
FP4_213	O=S(=O)(OC)OC	C77781
FP4_213	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_213	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_213	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_213	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_213	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_213	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_213	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_214	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_214	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_214	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_214	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_214	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_214	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_214	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_214	O=S(=O)(N)O	C5329146
FP4_214	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_214	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_214	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_214	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_214	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_214	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_214	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_214	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_214	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_214	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_214	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_214	O=S(=O)(OCC)OCC	C64675
FP4_214	O=S(=O)(OC)OC	C77781
FP4_214	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_214	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_214	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_214	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_214	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_214	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_214	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_215	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_215	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_215	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_215	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_215	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_215	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_215	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_215	O=S(=O)(N)O	C5329146
FP4_215	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_215	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_215	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_215	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_215	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_215	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_215	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_215	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_215	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_215	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_215	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_215	O=S(=O)(OCC)OCC	C64675
FP4_215	O=S(=O)(OC)OC	C77781
FP4_215	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_215	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_215	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_215	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_215	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_215	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_215	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_216	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_216	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_216	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_216	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_216	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_216	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_216	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_216	O=S(=O)(N)O	C5329146
FP4_216	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_216	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_216	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_216	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_216	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_216	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_216	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_216	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_216	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_216	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_216	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_216	O=S(=O)(OCC)OCC	C64675
FP4_216	O=S(=O)(OC)OC	C77781
FP4_216	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_216	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_216	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_216	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_216	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_216	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_216	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_217	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_217	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_217	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_217	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_217	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_217	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_217	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_217	O=S(=O)(N)O	C5329146
FP4_217	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_217	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_217	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_217	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_217	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_217	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_217	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_217	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_217	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_217	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_217	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_217	O=S(=O)(OCC)OCC	C64675
FP4_217	O=S(=O)(OC)OC	C77781
FP4_217	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_217	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_217	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_217	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_217	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_217	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_217	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_244	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_244	O=P(OC)(OC)OC	C512561
FP4_244	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_244	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_244	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_244	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_244	OP(=O)(O)O	C7664382
FP4_244	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_244	O=P(OCC)(OCC)OCC	C78400
FP4_244	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_244	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_244	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_244	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_244	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_244	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_244	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_244	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_244	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_244	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_244	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_244	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_244	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_244	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_244	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_244	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_244	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_244	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_244	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_244	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_244	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_244	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_244	CCOP(=S)(OCC)SCCSCC	C298044
FP4_244	O=C(C)NP(=O)(OC)SC	C30560191
FP4_244	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_244	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_244	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_244	NP(=O)(OC)SC	C10265926
FP4_244	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_244	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_244	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_244	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_244	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_244	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_244	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_244	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_244	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_244	O=P(SCCC)(OCC)SCCC	C13194484
FP4_244	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_244	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_244	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_244	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_244	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_244	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_244	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_244	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_244	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_244	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_244	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_244	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_244	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_244	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_244	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_244	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_244	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_244	S=P(OCC)(OCC)SCSCC	C298022
FP4_244	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_244	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_244	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_244	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_244	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_244	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_244	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_244	O=P(OCCCC)(O)OCCCC	C107664
FP4_244	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_244	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_244	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_244	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_245	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_245	O=P(OC)(OC)OC	C512561
FP4_245	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_245	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_245	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_245	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_245	OP(=O)(O)O	C7664382
FP4_245	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_245	O=P(OCC)(OCC)OCC	C78400
FP4_245	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_245	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_245	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_245	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_245	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_245	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_245	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_245	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_245	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_245	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_245	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_245	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_245	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_245	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_245	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_245	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_245	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_245	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_245	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_245	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_245	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_245	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_245	CCOP(=S)(OCC)SCCSCC	C298044
FP4_245	O=C(C)NP(=O)(OC)SC	C30560191
FP4_245	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_245	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_245	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_245	NP(=O)(OC)SC	C10265926
FP4_245	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_245	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_245	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_245	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_245	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_245	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_245	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_245	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_245	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_245	O=P(SCCC)(OCC)SCCC	C13194484
FP4_245	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_245	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_245	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_245	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_245	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_245	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_245	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_245	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_245	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_245	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_245	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_245	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_245	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_245	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_245	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_245	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_245	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_245	S=P(OCC)(OCC)SCSCC	C298022
FP4_245	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_245	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_245	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_245	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_245	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_245	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_245	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_245	O=P(OCCCC)(O)OCCCC	C107664
FP4_245	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_245	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_245	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_245	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_246	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_246	O=P(OC)(OC)OC	C512561
FP4_246	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_246	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_246	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_246	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_246	OP(=O)(O)O	C7664382
FP4_246	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_246	O=P(OCC)(OCC)OCC	C78400
FP4_246	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_246	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_246	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_246	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_246	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_246	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_246	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_246	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_246	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_246	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_246	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_246	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_246	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_246	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_246	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_246	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_246	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_246	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_246	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_246	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_246	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_246	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_246	CCOP(=S)(OCC)SCCSCC	C298044
FP4_246	O=C(C)NP(=O)(OC)SC	C30560191
FP4_246	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_246	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_246	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_246	NP(=O)(OC)SC	C10265926
FP4_246	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_246	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_246	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_246	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_246	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_246	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_246	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_246	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_246	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_246	O=P(SCCC)(OCC)SCCC	C13194484
FP4_246	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_246	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_246	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_246	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_246	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_246	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_246	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_246	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_246	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_246	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_246	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_246	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_246	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_246	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_246	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_246	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_246	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_246	S=P(OCC)(OCC)SCSCC	C298022
FP4_246	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_246	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_246	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_246	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_246	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_246	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_246	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_246	O=P(OCCCC)(O)OCCCC	C107664
FP4_246	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_246	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_246	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_246	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_247	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_247	O=P(OC)(OC)OC	C512561
FP4_247	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_247	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_247	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_247	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_247	OP(=O)(O)O	C7664382
FP4_247	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_247	O=P(OCC)(OCC)OCC	C78400
FP4_247	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_247	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_247	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_247	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_247	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_247	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_247	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_247	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_247	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_247	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_247	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_247	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_247	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_247	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_247	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_247	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_247	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_247	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_247	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_247	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_247	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_247	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_247	CCOP(=S)(OCC)SCCSCC	C298044
FP4_247	O=C(C)NP(=O)(OC)SC	C30560191
FP4_247	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_247	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_247	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_247	NP(=O)(OC)SC	C10265926
FP4_247	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_247	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_247	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_247	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_247	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_247	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_247	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_247	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_247	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_247	O=P(SCCC)(OCC)SCCC	C13194484
FP4_247	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_247	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_247	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_247	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_247	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_247	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_247	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_247	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_247	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_247	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_247	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_247	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_247	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_247	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_247	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_247	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_247	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_247	S=P(OCC)(OCC)SCSCC	C298022
FP4_247	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_247	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_247	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_247	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_247	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_247	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_247	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_247	O=P(OCCCC)(O)OCCCC	C107664
FP4_247	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_247	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_247	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_247	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_248	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_248	O=P(OC)(OC)OC	C512561
FP4_248	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_248	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_248	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_248	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_248	OP(=O)(O)O	C7664382
FP4_248	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_248	O=P(OCC)(OCC)OCC	C78400
FP4_248	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_248	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_248	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_248	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_248	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_248	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_248	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_248	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_248	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_248	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_248	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_248	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_248	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_248	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_248	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_248	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_248	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_248	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_248	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_248	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_248	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_248	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_248	CCOP(=S)(OCC)SCCSCC	C298044
FP4_248	O=C(C)NP(=O)(OC)SC	C30560191
FP4_248	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_248	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_248	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_248	NP(=O)(OC)SC	C10265926
FP4_248	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_248	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_248	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_248	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_248	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_248	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_248	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_248	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_248	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_248	O=P(SCCC)(OCC)SCCC	C13194484
FP4_248	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_248	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_248	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_248	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_248	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_248	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_248	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_248	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_248	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_248	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_248	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_248	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_248	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_248	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_248	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_248	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_248	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_248	S=P(OCC)(OCC)SCSCC	C298022
FP4_248	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_248	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_248	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_248	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_248	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_248	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_248	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_248	O=P(OCCCC)(O)OCCCC	C107664
FP4_248	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_248	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_248	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_248	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_249	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_249	O=P(OC)(OC)OC	C512561
FP4_249	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_249	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_249	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_249	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_249	OP(=O)(O)O	C7664382
FP4_249	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_249	O=P(OCC)(OCC)OCC	C78400
FP4_249	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_249	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_249	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_249	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_249	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_249	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_249	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_249	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_249	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_249	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_249	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_249	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_249	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_249	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_249	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_249	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_249	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_249	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_249	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_249	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_249	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_249	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_249	CCOP(=S)(OCC)SCCSCC	C298044
FP4_249	O=C(C)NP(=O)(OC)SC	C30560191
FP4_249	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_249	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_249	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_249	NP(=O)(OC)SC	C10265926
FP4_249	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_249	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_249	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_249	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_249	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_249	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_249	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_249	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_249	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_249	O=P(SCCC)(OCC)SCCC	C13194484
FP4_249	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_249	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_249	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_249	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_249	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_249	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_249	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_249	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_249	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_249	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_249	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_249	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_249	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_249	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_249	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_249	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_249	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_249	S=P(OCC)(OCC)SCSCC	C298022
FP4_249	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_249	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_249	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_249	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_249	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_249	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_249	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_249	O=P(OCCCC)(O)OCCCC	C107664
FP4_249	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_249	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_249	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_249	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_250	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_250	O=P(OC)(OC)OC	C512561
FP4_250	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_250	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_250	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_250	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_250	OP(=O)(O)O	C7664382
FP4_250	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_250	O=P(OCC)(OCC)OCC	C78400
FP4_250	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_250	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_250	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_250	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_250	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_250	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_250	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_250	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_250	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_250	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_250	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_250	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_250	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_250	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_250	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_250	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_250	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_250	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_250	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_250	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_250	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_250	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_250	CCOP(=S)(OCC)SCCSCC	C298044
FP4_250	O=C(C)NP(=O)(OC)SC	C30560191
FP4_250	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_250	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_250	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_250	NP(=O)(OC)SC	C10265926
FP4_250	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_250	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_250	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_250	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_250	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_250	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_250	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_250	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_250	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_250	O=P(SCCC)(OCC)SCCC	C13194484
FP4_250	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_250	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_250	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_250	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_250	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_250	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_250	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_250	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_250	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_250	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_250	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_250	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_250	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_250	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_250	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_250	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_250	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_250	S=P(OCC)(OCC)SCSCC	C298022
FP4_250	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_250	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_250	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_250	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_250	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_250	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_250	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_250	O=P(OCCCC)(O)OCCCC	C107664
FP4_250	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_250	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_250	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_250	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_251	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_251	O=P(OC)(OC)OC	C512561
FP4_251	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_251	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_251	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_251	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_251	OP(=O)(O)O	C7664382
FP4_251	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_251	O=P(OCC)(OCC)OCC	C78400
FP4_251	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_251	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_251	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_251	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_251	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_251	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_251	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_251	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_251	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_251	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_251	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_251	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_251	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_251	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_251	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_251	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_251	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_251	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_251	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_251	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_251	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_251	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_251	CCOP(=S)(OCC)SCCSCC	C298044
FP4_251	O=C(C)NP(=O)(OC)SC	C30560191
FP4_251	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_251	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_251	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_251	NP(=O)(OC)SC	C10265926
FP4_251	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_251	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_251	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_251	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_251	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_251	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_251	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_251	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_251	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_251	O=P(SCCC)(OCC)SCCC	C13194484
FP4_251	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_251	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_251	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_251	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_251	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_251	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_251	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_251	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_251	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_251	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_251	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_251	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_251	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_251	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_251	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_251	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_251	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_251	S=P(OCC)(OCC)SCSCC	C298022
FP4_251	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_251	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_251	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_251	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_251	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_251	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_251	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_251	O=P(OCCCC)(O)OCCCC	C107664
FP4_251	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_251	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_251	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_251	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_252	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_252	O=P(OC)(OC)OC	C512561
FP4_252	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_252	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_252	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_252	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_252	OP(=O)(O)O	C7664382
FP4_252	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_252	O=P(OCC)(OCC)OCC	C78400
FP4_252	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_252	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_252	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_252	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_252	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_252	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_252	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_252	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_252	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_252	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_252	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_252	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_252	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_252	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_252	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_252	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_252	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_252	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_252	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_252	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_252	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_252	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_252	CCOP(=S)(OCC)SCCSCC	C298044
FP4_252	O=C(C)NP(=O)(OC)SC	C30560191
FP4_252	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_252	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_252	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_252	NP(=O)(OC)SC	C10265926
FP4_252	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_252	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_252	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_252	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_252	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_252	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_252	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_252	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_252	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_252	O=P(SCCC)(OCC)SCCC	C13194484
FP4_252	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_252	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_252	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_252	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_252	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_252	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_252	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_252	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_252	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_252	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_252	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_252	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_252	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_252	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_252	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_252	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_252	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_252	S=P(OCC)(OCC)SCSCC	C298022
FP4_252	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_252	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_252	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_252	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_252	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_252	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_252	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_252	O=P(OCCCC)(O)OCCCC	C107664
FP4_252	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_252	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_252	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_252	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_253	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_253	O=P(OC)(OC)OC	C512561
FP4_253	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_253	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_253	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_253	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_253	OP(=O)(O)O	C7664382
FP4_253	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_253	O=P(OCC)(OCC)OCC	C78400
FP4_253	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_253	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_253	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_253	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_253	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_253	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_253	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_253	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_253	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_253	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_253	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_253	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_253	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_253	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_253	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_253	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_253	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_253	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_253	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_253	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_253	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_253	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_253	CCOP(=S)(OCC)SCCSCC	C298044
FP4_253	O=C(C)NP(=O)(OC)SC	C30560191
FP4_253	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_253	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_253	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_253	NP(=O)(OC)SC	C10265926
FP4_253	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_253	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_253	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_253	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_253	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_253	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_253	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_253	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_253	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_253	O=P(SCCC)(OCC)SCCC	C13194484
FP4_253	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_253	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_253	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_253	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_253	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_253	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_253	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_253	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_253	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_253	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_253	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_253	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_253	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_253	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_253	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_253	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_253	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_253	S=P(OCC)(OCC)SCSCC	C298022
FP4_253	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_253	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_253	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_253	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_253	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_253	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_253	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_253	O=P(OCCCC)(O)OCCCC	C107664
FP4_253	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_253	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_253	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_253	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_254	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_254	O=P(OC)(OC)OC	C512561
FP4_254	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_254	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_254	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_254	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_254	OP(=O)(O)O	C7664382
FP4_254	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_254	O=P(OCC)(OCC)OCC	C78400
FP4_254	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_254	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_254	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_254	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_254	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_254	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_254	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_254	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_254	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_254	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_254	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_254	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_254	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_254	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_254	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_254	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_254	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_254	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_254	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_254	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_254	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_254	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_254	CCOP(=S)(OCC)SCCSCC	C298044
FP4_254	O=C(C)NP(=O)(OC)SC	C30560191
FP4_254	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_254	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_254	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_254	NP(=O)(OC)SC	C10265926
FP4_254	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_254	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_254	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_254	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_254	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_254	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_254	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_254	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_254	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_254	O=P(SCCC)(OCC)SCCC	C13194484
FP4_254	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_254	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_254	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_254	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_254	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_254	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_254	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_254	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_254	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_254	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_254	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_254	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_254	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_254	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_254	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_254	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_254	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_254	S=P(OCC)(OCC)SCSCC	C298022
FP4_254	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_254	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_254	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_254	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_254	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_254	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_254	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_254	O=P(OCCCC)(O)OCCCC	C107664
FP4_254	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_254	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_254	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_254	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_255	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_255	O=P(OC)(OC)OC	C512561
FP4_255	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_255	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_255	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_255	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_255	OP(=O)(O)O	C7664382
FP4_255	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_255	O=P(OCC)(OCC)OCC	C78400
FP4_255	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_255	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_255	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_255	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_255	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_255	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_255	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_255	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_255	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_255	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_255	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_255	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_255	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_255	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_255	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_255	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_255	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_255	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_255	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_255	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_255	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_255	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_255	CCOP(=S)(OCC)SCCSCC	C298044
FP4_255	O=C(C)NP(=O)(OC)SC	C30560191
FP4_255	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_255	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_255	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_255	NP(=O)(OC)SC	C10265926
FP4_255	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_255	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_255	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_255	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_255	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_255	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_255	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_255	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_255	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_255	O=P(SCCC)(OCC)SCCC	C13194484
FP4_255	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_255	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_255	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_255	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_255	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_255	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_255	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_255	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_255	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_255	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_255	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_255	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_255	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_255	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_255	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_255	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_255	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_255	S=P(OCC)(OCC)SCSCC	C298022
FP4_255	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_255	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_255	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_255	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_255	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_255	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_255	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_255	O=P(OCCCC)(O)OCCCC	C107664
FP4_255	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_255	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_255	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_255	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_260	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_263	N([Si](C)(C)C)[Si](C)(C)C	C999973
FP4_263	C[Si](C)(C)O[Si](C)(C)C	C107460
FP4_263	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
FP4_263	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
FP4_263	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
FP4_263	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
FP4_264	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
FP4_264	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
FP4_264	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
FP4_264	CO[Si](C)(C)OC	C1112396
FP4_264	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
FP4_264	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
FP4_264	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
FP4_265	NCCC[Si](OCC)(OCC)OCC	C919302
FP4_265	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
FP4_265	NCCNCCC[Si](OC)(OC)OC	C1760243
FP4_265	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
FP4_265	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_265	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
FP4_265	CO[Si](OC)(OC)c1ccccc1	C2996921
FP4_265	CCO[Si](OCC)(OCC)CC	C78079
FP4_265	CCO[Si](OCC)(C)OCC	C2031676
FP4_265	CCO[Si](CCCCC)(OCC)OCC	C2761242
FP4_265	CO[Si](OC)(CCC)OC	C1067250
FP4_265	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_266	CCCO[Si](OCCC)(OCCC)OCCC	C682019
FP4_267	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
FP4_268	OB(O)O	C10043353
FP4_269	OB(O)O	C10043353
FP4_271	F[B-](F)(F)F.[Na+]	C13755298
FP4_272	c1(nc[nH]n1)N	C61825
FP4_272	Nc1ccccc1.Cl	C142041
FP4_272	Nc1ccc(OC)cc1.Cl	C20265978
FP4_272	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP4_272	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_272	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
FP4_272	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP4_272	[nH]1c2c(cccc2)nn1	C95147
FP4_272	CC(=O)OCc1ccccc1	C140114
FP4_272	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP4_272	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_272	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_272	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP4_272	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP4_272	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP4_272	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_272	Clc1c(ccc(c1)N)C	C95749
FP4_272	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP4_272	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP4_272	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
FP4_272	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
FP4_272	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_272	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
FP4_272	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP4_272	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP4_272	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP4_272	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
FP4_272	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_272	C=CCc1ccc(cc1)OC	C140670
FP4_272	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_272	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP4_272	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_272	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_272	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP4_272	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_272	c1cccc2[nH]ccc12	C120729
FP4_272	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_272	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_272	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_272	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP4_272	COc1ccc(cc1)O	C150765
FP4_272	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP4_272	C=Cc1ccc(cc1)C	C622979
FP4_272	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP4_272	NC(=O)c1cccnc1	C98920
FP4_272	OC(=O)c1cccnc1	C59676
FP4_272	N(c1ccc(cc1)N=O)c1ccccc1	C156105
FP4_272	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_272	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP4_272	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP4_272	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_272	Nc1ccc(cc1)N	C106503
FP4_272	Oc1ccc(cc1)c1ccccc1	C92693
FP4_272	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_272	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_272	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_272	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_272	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP4_272	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP4_272	Nc1ccccc1C.Cl	C636215
FP4_272	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP4_272	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_272	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_272	O=CCc1ccccc1	C122781
FP4_272	c1(O)ccccc1C(=O)N	C65452
FP4_272	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP4_272	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_272	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP4_272	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_272	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_272	O=Cc1ccccc1O	C90028
FP4_272	Oc1cccc2ccccc12	C90153
FP4_272	c1cc(N)ccc1C(=O)OCC	C94097
FP4_272	Nc1cc(Cl)c(Cl)cc1	C95761
FP4_272	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP4_272	c1ccccc1Oc1ccccc1	C101848
FP4_272	Nc1ccc(CCCC)cc1	C104132
FP4_272	Oc1ccc(Cl)cc1	C106489
FP4_272	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP4_272	Oc1c(Br)cc(Br)cc1Br	C118796
FP4_272	O=Cc1cc(OCC)c(O)cc1	C121324
FP4_272	Oc1ccc(CC)cc1	C123079
FP4_272	COc1ccc(OC)cc1	C150787
FP4_272	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_272	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_272	Oc1ccc(CCC)cc1	C645567
FP4_272	Nc1ccc(OCCCCCC)cc1	C39905572
FP4_272	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_272	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_272	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
FP4_272	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
FP4_272	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP4_272	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP4_272	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_272	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_272	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_272	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_272	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_272	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP4_272	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_272	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_272	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_272	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP4_272	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP4_272	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP4_272	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP4_272	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP4_272	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_272	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP4_272	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_272	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP4_272	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP4_272	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP4_272	c1(c(CC)cccc1)O	C90006
FP4_272	c1c(O)cccc1CC	C620177
FP4_272	C(=O)(/C=C/c1ccccc1)O	C140103
FP4_272	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP4_272	c1(c(ccc(c1)Cl)O)C	C1570645
FP4_272	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP4_272	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_272	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP4_272	C(=O)(c1ccc(cc1)O)OCC	C120478
FP4_272	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP4_272	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_272	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_272	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP4_272	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_272	c1cccc(OC)c1O	C90051
FP4_272	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_272	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_272	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_272	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_272	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_272	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP4_272	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_272	c12cc3ccc4ccccc4c3cc1cccc2	C56553
FP4_272	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_272	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_272	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
FP4_272	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_272	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_272	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_272	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP4_272	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP4_272	Cc1cc(O)ccc1	C108394
FP4_272	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_272	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP4_272	c1ccc2ncsc2c1	C95169
FP4_272	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP4_272	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP4_272	c1(ccc(cc1)C)C(C)(C)C	C98511
FP4_272	C(F)(F)(F)c1ccc(Cl)cc1	C98566
FP4_272	O=C/C=C/c1ccccc1	C14371109
FP4_272	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_272	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP4_272	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_272	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_272	Oc1cc(Cl)ccc1Cl	C583788
FP4_272	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP4_272	N(C)(C)c1cccc(O)c1	C99070
FP4_272	c1ccc2c(c1)c(c(cc2)C)C	C28804888
FP4_272	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_272	Cc1c(C)cccc1O	C526750
FP4_272	Cc1cc(C)cc(O)c1	C108689
FP4_272	C=Cc1ccccc1C=C	C1321740
FP4_272	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_272	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_272	O=C(OCC)c1c(N)cccc1	C87252
FP4_272	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_272	c1c(CO)occ1	C98000
FP4_272	O=C(OCCCCCC)c1ccccc1	C6789884
FP4_272	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP4_272	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_272	O=C(C)C=Cc1ccccc1	C122576
FP4_272	[N+](=O)([O-])c1ccccc1N	C88744
FP4_272	c12ncccc1ccc1c2nccc1	C66717
FP4_272	O(c1ccc(N)cc1)CC	C156434
FP4_272	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP4_272	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
FP4_272	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_272	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_272	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP4_272	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP4_272	c12ccccc1CCCC2	C119642
FP4_272	Cc1cccc2nn[nH]c12	C29385431
FP4_272	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP4_272	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_272	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
FP4_272	O(C)c1cc(C=O)ccc1OC	C120149
FP4_272	Cc1cccc(C)c1	C108383
FP4_272	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_272	OCCc1ccccc1	C60128
FP4_272	O=C(O)c1ccccc1O	C69727
FP4_272	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP4_272	O=C1c2c(cccc2)C(=O)N1	C85416
FP4_272	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP4_272	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
FP4_272	O=C(O)c1ccc(O)cc1	C99967
FP4_272	c1(OCCOc2ccccc2)ccccc1	C104665
FP4_272	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_272	Sc1ccccc1	C108985
FP4_272	O=Cc1ccc(OC)cc1	C123115
FP4_272	Oc1ccc2ccccc2c1	C135193
FP4_272	[O-]c1ccccc1.[Na+]	C139026
FP4_272	Clc1ccc(C(F)(F)F)cc1Cl	C328847
FP4_272	Brc1ccc(F)cc1	C460004
FP4_272	O=C1c2c(cccc2)C(=O)N1C	C550447
FP4_272	ClP(c1ccccc1)Cl	C644973
FP4_272	OC(C)COc1ccccc1	C770354
FP4_272	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
FP4_272	Nc1cccc(C)c1C	C1300738
FP4_272	O=S(=O)(c1ccccc1O)O	C1333397
FP4_272	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP4_272	Oc1cccc2c1OC(C)(C)C2	C1563388
FP4_272	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_272	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_272	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP4_272	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP4_272	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
FP4_272	OCc1cccc(Oc2ccccc2)c1	C13826352
FP4_272	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP4_272	Nc1c(C)cccc1CC	C24549062
FP4_272	Clc1cccc(C)c1	C25168052
FP4_272	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP4_272	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_272	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_272	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_272	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP4_272	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP4_272	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP4_272	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP4_272	O=S(=O)(c1ccc(C)cc1)N	C70553
FP4_272	Cc1cc(C)c(C)cc1C	C95932
FP4_272	O=C(c1ccc(O)cc1)C	C99934
FP4_272	O=C(OCc1ccccc1)c1ccccc1	C120514
FP4_272	CCCCCC(=Cc1ccccc1)C=O	C122407
FP4_272	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
FP4_272	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP4_272	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP4_272	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP4_272	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP4_272	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP4_272	n1c[nH]cc1	C288324
FP4_272	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_272	Nc1cc(Cl)cc(Cl)c1	C626437
FP4_272	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP4_272	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_272	Oc1cc(C)c(Cl)c(C)c1	C88040
FP4_272	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_272	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP4_272	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP4_272	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_272	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP4_272	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_272	OCn1nc(C)cc1C	C85264331
FP4_272	Clc1c(Cl)ssc1=O	C1192525
FP4_272	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_272	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_272	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP4_272	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_272	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_272	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP4_272	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_272	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_272	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_272	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_272	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_272	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_272	CCCCCCCCCc1ccc(O)cc1	C104405
FP4_272	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_272	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_272	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_272	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP4_272	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_272	O=C(COc1ccc(Cl)cc1)O	C122883
FP4_272	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_272	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_272	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_272	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_272	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_272	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_272	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_272	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_272	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_272	O=C(CBr)c1ccc(O)cc1	C2491385
FP4_272	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP4_272	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_272	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_272	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_272	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_272	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_272	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_272	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_272	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP4_272	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_272	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_272	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
FP4_272	Cc1ccc(C)c2c1cccc2	C571584
FP4_272	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_272	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_272	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_272	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP4_272	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP4_272	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_272	O=C(N(C)C)Nc1ccccc1	C101428
FP4_272	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP4_272	Oc1ccc(CCCCCCC)cc1	C1987504
FP4_272	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP4_272	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP4_272	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP4_272	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP4_272	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP4_272	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_272	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP4_272	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP4_272	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_272	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_272	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_272	O=C(O)c1ccccc1OCCCCCC	C6259763
FP4_272	O=C(c1ccccc1O)C	C118934
FP4_272	O=C(CBr)OCc1ccccc1	C5437456
FP4_272	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_272	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP4_272	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_272	CO[Si](OC)(OC)c1ccccc1	C2996921
FP4_272	Nc1ccc(CCCCC)cc1	C33228443
FP4_272	Nc1ccc(CCCCCC)cc1	C33228454
FP4_272	O=C(OCC)c1c(C)cccc1	C87241
FP4_272	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP4_272	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_272	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_272	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP4_272	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_272	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_272	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_272	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
FP4_272	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP4_272	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP4_272	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP4_272	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP4_272	O=C1C=CC(=O)N1c1ccccc1	C941695
FP4_272	Oc1ccccc1CN(C)C	C120650
FP4_272	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP4_272	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP4_272	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP4_272	O=C(C)c1cc2ccccc2cc1	C93083
FP4_272	O=C(Nc1ccccc1)CCl	C587655
FP4_272	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_272	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_272	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_272	OCC=Cc1ccccc1	C104541
FP4_272	CCC(c1ccccc1)CCC	C4468422
FP4_272	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_272	O=c1ccoc(CC)c1O	C4940118
FP4_272	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_272	O=C(C)OC(C)c1ccccc1	C93925
FP4_272	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_272	O=S(=O)(c1cc(C)ccc1C)O	C609541
FP4_272	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_272	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_272	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP4_272	N#Cc1c(O)cccc1	C611201
FP4_272	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP4_272	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP4_272	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_272	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_272	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_272	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_272	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_272	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_272	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_272	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_272	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_272	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP4_272	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_272	c1(Cc2ccccc2)ccccc1	C101815
FP4_272	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_272	c12ccccc1CC=C2	C95136
FP4_272	Oc1cc(C(C)C)ccc1C	C499752
FP4_272	c1([Hg]c2ccccc2)ccccc1	C587859
FP4_272	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_272	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_272	CC(C)N(C(C)C)c1ccccc1	C4107986
FP4_272	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP4_272	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP4_272	Oc1c(OCC)cccc1	C94713
FP4_272	Oc1ccc(C(C)C)cc1	C99898
FP4_272	COc1ccc(CCC)cc1	C104450
FP4_272	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_272	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_272	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_272	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_272	OC(CO)c1ccccc1	C93561
FP4_272	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_272	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP4_272	O=C(N)Nc1ccccc1	C64108
FP4_272	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_272	Oc1c(C(C)C)cccc1	C88697
FP4_272	O=C(c1ccccc1)Cc1ccccc1	C451401
FP4_272	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP4_272	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_272	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_272	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_272	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_272	Oc1cc(C(C)C)ccc1	C618451
FP4_272	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_272	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_272	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_272	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_272	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_272	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
FP4_272	Oc1cc(C(C)(C)C)ccc1	C585342
FP4_272	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP4_272	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_272	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_272	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_272	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_272	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP4_272	O=C(c1ccccc1)OCCC(C)C	C94462
FP4_272	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_272	Oc1ccc(CCCC)cc1	C1638228
FP4_272	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_272	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_272	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP4_272	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP4_272	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP4_272	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_272	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP4_272	c12ccccc1c1c(cccc1)s2	C132650
FP4_272	O=C(c1ccccc1)c1ccccc1O	C117997
FP4_272	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP4_272	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP4_272	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_272	Nc1ccc(CCC)cc1	C2696846
FP4_272	Nc1ccc(C(C)(C)C)cc1	C769926
FP4_272	O=C(C1CCCCC1)c1ccccc1	C712505
FP4_272	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP4_272	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP4_272	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_272	Sc1ccc(C)cc1	C106456
FP4_272	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_272	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP4_272	Clc1ccc(CCCC)cc1	C15499271
FP4_272	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
FP4_272	O=C(CCCCCC)c1ccccc1	C1671756
FP4_272	Oc1ccc(OCCCCCC)cc1	C18979550
FP4_272	Sc1ccc(C(C)(C)C)cc1	C2396681
FP4_272	Nc1ccc(cc1)OCCCC	C4344552
FP4_272	O=C(O)c1c(C)cc(C)cc1C	C480637
FP4_272	O=C(c1ccccc1)C1CCC1	C5407987
FP4_272	O=C(c1ccccc1)C(C)C	C611701
FP4_272	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_272	Clc1ccc(CCCCC)cc1	C79098207
FP4_272	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_272	O=C(OC)c1c(C)cccc1	C89714
FP4_272	O=C(c1ccccc1)C(C)(C)C	C938169
FP4_272	O=C(Oc1ccccc1)c1ccccc1	C93992
FP4_272	O=C(OCC)c1ccc(C)cc1	C94086
FP4_272	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_272	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_272	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_272	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP4_272	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_272	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_272	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP4_272	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_272	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_272	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP4_272	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_272	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP4_272	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP4_272	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_272	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP4_272	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP4_272	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_272	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_272	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_272	O=c1ccc(=O)[nH][nH]1	C123331
FP4_272	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_272	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_272	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_272	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_272	Oc1c(cccc1)c1ccccc1	C90437
FP4_272	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_272	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP4_272	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_272	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_272	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_272	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_272	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP4_272	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_272	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
FP4_272	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_272	c1ccccc1Nc1ccccc1	C122394
FP4_272	c1ccccc1OCCO	C122996
FP4_272	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP4_272	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_272	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP4_272	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP4_272	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_272	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP4_272	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_272	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP4_272	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_272	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP4_272	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP4_272	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_272	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP4_272	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_272	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP4_272	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_272	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_272	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_272	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_272	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_272	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_272	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_272	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP4_272	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_272	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_272	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_272	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_272	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP4_272	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP4_272	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_272	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_272	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP4_272	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_272	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_272	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_272	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_272	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_272	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_272	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP4_272	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP4_272	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_272	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP4_272	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_272	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_272	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_272	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_272	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_272	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_272	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_272	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_272	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_272	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_272	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_272	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_272	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP4_272	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_272	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_272	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_272	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_272	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_272	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_272	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_272	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_272	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP4_272	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP4_272	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_272	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_272	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_272	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_272	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_272	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_272	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_272	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_272	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP4_272	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_272	N#Cc1c(Cl)cccc1Cl	C1194656
FP4_272	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_272	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_272	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_272	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_272	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_272	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_272	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_272	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_272	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_272	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_272	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_272	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_272	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_272	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_272	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_272	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_272	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP4_272	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_272	O=C(SC)c1cccc2c1snn2	C135158542
FP4_272	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_272	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_272	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_272	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_272	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_272	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_272	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_272	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_272	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_272	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_272	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_272	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_272	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_272	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_272	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_272	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_272	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_272	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP4_272	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_272	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP4_272	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_272	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP4_272	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_272	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_272	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP4_272	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_272	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_272	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_272	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_272	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_272	N#CSCSc1nc2ccccc2s1	C21564170
FP4_272	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_272	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_272	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_272	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_272	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_272	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_272	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_272	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP4_272	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_272	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_272	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_272	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_272	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_272	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_272	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_272	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP4_272	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP4_272	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_272	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_272	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_272	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_272	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP4_272	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_272	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP4_272	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_272	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_272	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_272	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_272	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_272	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_272	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_272	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_272	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_272	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_272	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_272	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_272	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_272	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_272	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_272	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_272	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_272	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_272	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_272	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_272	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_272	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_272	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_272	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_272	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_272	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP4_272	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_272	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_272	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_272	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_272	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_272	Clc1nc(NCC)nc(N)n1	C1007289
FP4_272	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_272	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_272	O=C(OC)c1ccccc1C(=O)O	C4376185
FP4_272	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP4_272	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_272	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_272	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_272	c1(ccc(cc1)O)NC(=O)C	C103902
FP4_272	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP4_272	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_272	C/C=C/c1ccc(cc1)OC	C4180238
FP4_272	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP4_272	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_272	c1(N=Nc2ccccc2)ccccc1	C103333
FP4_272	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_272	Nc1ccc(c2ccc(N)cc2)cc1	C92875
FP4_272	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_272	c1coc2c1cccc2	C271896
FP4_272	OC(=O)c1ccccc1	C65850
FP4_272	ClC(c1ccccc1)(Cl)Cl	C98077
FP4_272	OCc1ccccc1	C100516
FP4_272	c1c(cccc1)c1ccccc1	C92524
FP4_272	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_272	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP4_272	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_272	CC(C)(C)c1cc(O)ccc1O	C1948330
FP4_272	C(c1ccc(O)cc1)(C)(C)C	C98544
FP4_272	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_272	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_272	Oc1c(cccc1)O	C120809
FP4_272	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP4_272	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_272	Nc1c(ccc(c1)Cl)N	C95830
FP4_272	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_272	O=C(c1ccccc1)CCl	C532274
FP4_272	Nc1ccc(cc1)Cl	C106478
FP4_272	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP4_272	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_272	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP4_272	O=c1oc2c(cccc2)cc1	C91645
FP4_272	Nc1cc(ccc1OC)C	C120718
FP4_272	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP4_272	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
FP4_272	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
FP4_272	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP4_272	Nc1c(ccc(c1)N)C	C95807
FP4_272	Clc1c(cccc1)Cl	C95501
FP4_272	Clc1ccc(cc1)Cl	C106467
FP4_272	Clc1c(ccc(c1)Cl)O	C120832
FP4_272	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_272	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP4_272	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP4_272	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_272	CN(c1ccccc1)C	C121697
FP4_272	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
FP4_272	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_272	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_272	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_272	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
FP4_272	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_272	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP4_272	Oc1c(cc(cc1)CC=C)OC	C97530
FP4_272	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_272	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_272	O=Cc1ccco1	C98011
FP4_272	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_272	Oc1c(ccc(c1)O)CCCCCC	C136776
FP4_272	N(c1ccccc1)Nc1ccccc1	C122667
FP4_272	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP4_272	Oc1ccc(cc1)O	C123319
FP4_272	Oc1cccc2cccnc12	C148243
FP4_272	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_272	O=C(c1ccncc1)NN	C54853
FP4_272	Sc1nc2c(cccc2)s1	C149304
FP4_272	[nH]1c(=S)n(cc1)C	C60560
FP4_272	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_272	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP4_272	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP4_272	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
FP4_272	Cc1c2c(ccc1)cccc2	C90120
FP4_272	Cc1cc2cccnc2cc1	C91623
FP4_272	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_272	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP4_272	c1c2c(ccc1)cccc2	C91203
FP4_272	Nc1c2c(ccc1)c(ccc2)N	C2243621
FP4_272	Nc1cc2c(cccc2)cc1	C91598
FP4_272	CN1CCC[C@H]1c1cnccc1	C54115
FP4_272	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_272	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_272	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_272	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_272	O=[N+](c1ccccc1)[O-]	C98953
FP4_272	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_272	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_272	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_272	O=NN(c1ccccc1)c1ccccc1	C86306
FP4_272	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP4_272	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_272	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP4_272	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_272	Oc1ccccc1	C108952
FP4_272	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP4_272	N1c2c(cccc2)Sc2ccccc12	C92842
FP4_272	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP4_272	Nc1cc(ccc1)N	C108452
FP4_272	CC(=O)O[Hg]c1ccccc1	C62384
FP4_272	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_272	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_272	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_272	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_272	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_272	Oc1cc(ccc1)O	C108463
FP4_272	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_272	C=CCc1ccc2c(c1)OCO2	C94597
FP4_272	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_272	C1C(c2ccccc2)O1	C96093
FP4_272	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP4_272	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP4_272	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_272	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_272	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP4_272	Cc1c(ccc(c1)C)C	C95636
FP4_272	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_272	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_272	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_272	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP4_272	Oc1ccccc1Cl	C95578
FP4_272	Oc1cc(C)c(Cl)cc1	C59507
FP4_272	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP4_272	c1ccc2cccc3c2c1CC3	C83329
FP4_272	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP4_272	n1cccc2c1cccc2	C91225
FP4_272	CCN(CC)c1ccccc1	C91667
FP4_272	Oc1c(C)cccc1	C95487
FP4_272	c1ccccc1C(=O)C	C98862
FP4_272	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_272	CN(C)c1ccc(C)cc1	C99978
FP4_272	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_272	CCNc1cc(C)ccc1	C102272
FP4_272	Oc1c(C)cc(C)cc1	C105679
FP4_272	Oc1ccc(C)cc1	C106445
FP4_272	Nc1ccc(C)cc1	C106490
FP4_272	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_272	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP4_272	c1ccccc1C(=O)c1ccccc1	C119619
FP4_272	Clc1c(Cl)cc(Cl)cc1	C120821
FP4_272	c1(C=O)cc(OC)c(O)cc1	C121335
FP4_272	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_272	c1cccc2c3ccccc3oc12	C132649
FP4_272	Oc1c(C)cc(C)cc1C	C527606
FP4_272	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_272	Clc1cc(Cl)ccc1	C541731
FP4_272	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_272	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_272	Oc1c(C)c(C)ccc1C	C2416946
FP4_272	Oc1ccc(CCCCCCCC)cc1	C1806264
FP4_272	c1(c(O)cccc1)C(CC)C	C89725
FP4_272	c1(ccc(cc1)O)C(CC)C	C99718
FP4_272	Oc1ccc(C=CC)cc1OC	C97541
FP4_272	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
FP4_272	c1(CCCC)ccccc1	C104518
FP4_272	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_272	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP4_272	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP4_272	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP4_272	C(=O)(c1ccc(cc1)O)OC	C99763
FP4_272	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_272	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_272	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_272	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_272	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_272	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_272	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_272	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_272	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_272	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_272	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_272	O=N(=O)c1ccc(C)cc1	C99990
FP4_272	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP4_272	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_272	c1cc2cccc3C=Cc(c1)c23	C208968
FP4_272	Nc1c(OC)cccc1	C90040
FP4_272	c1ccc2cc3ccccc3cc2c1	C120127
FP4_272	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
FP4_272	Brc1ccc(Oc2ccccc2)cc1	C101553
FP4_272	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_272	Cc1ccccc1Cl	C95498
FP4_272	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP4_272	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
FP4_272	Oc1cc(C)c(C)cc1	C95658
FP4_272	Oc1c(cccc1C)C	C576261
FP4_272	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_272	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_272	c1cccc2c1c1cccc3cccc2c13	C206440
FP4_272	c1cccc2Cc3ccccc3c12	C86737
FP4_272	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_272	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_272	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_272	c1cc2c(cc1)c1c(cccc1)cc2	C85018
FP4_272	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_272	c12cccc3c1c1c(cccc1cc3)cc2	C129000
FP4_272	Clc1cc(Cl)c(Cl)cc1Cl	C95943
FP4_272	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP4_272	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_272	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP4_272	O=C(O)c1ccc(N)cc1	C150130
FP4_272	Oc1c(ccc(N)c1)C	C2835952
FP4_272	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP4_272	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP4_272	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_272	Cc1ccc(Cl)cc1	C106434
FP4_272	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP4_272	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP4_272	O(O)C(c1ccccc1)(C)C	C80159
FP4_272	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_272	Nc1cc(C)ccc1N	C496720
FP4_272	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_272	c1(ccccc1)C(Cl)Cl	C98873
FP4_272	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP4_272	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP4_272	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP4_272	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_272	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_272	Oc1c(ccc(C)c1)C	C95874
FP4_272	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP4_272	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_272	N(c1ccccc1)CC	C103695
FP4_272	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP4_272	o1c(C)c(O)c(=O)cc1	C118718
FP4_272	O=C(OC)c1c(N)cccc1	C134203
FP4_272	O(C)c1cc(CC=C)ccc1OC	C93152
FP4_272	O=C(OC)c1c(O)cccc1	C119368
FP4_272	[N+](=O)([O-])c1ccccc1C	C88722
FP4_272	O=c1ccsn1CCCCCCCC	C26530201
FP4_272	Nc1c(N)cccc1	C95545
FP4_272	N(c1ccccc1)c1ccc(N)cc1	C101542
FP4_272	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP4_272	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP4_272	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_272	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP4_272	Nc1c(cccc1)C	C95534
FP4_272	Clc1c(Cl)cccc1Cl	C87616
FP4_272	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_272	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
FP4_272	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_272	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP4_272	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_272	Nc1c(cccc1C)C	C87627
FP4_272	Oc1c(C(C)(C)C)cccc1	C88186
FP4_272	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP4_272	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP4_272	CC(C)c1cccc(C(C)C)c1	C99627
FP4_272	CC(C)c1ccc(C)cc1	C99876
FP4_272	N#Cc1cnccc1	C100549
FP4_272	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP4_272	Nc1cccc(C)c1	C108441
FP4_272	Cc1cc(C)cc(C)c1	C108678
FP4_272	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP4_272	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP4_272	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP4_272	[nH]1ncnc1	C288880
FP4_272	c1(c2ccncc2)ccncc1	C553264
FP4_272	Nc1c(CC)cccc1CC	C579668
FP4_272	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_272	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_272	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_272	Nc1cccc(C)c1N	C2687254
FP4_272	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_272	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
FP4_272	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_272	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP4_272	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP4_272	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP4_272	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP4_272	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP4_272	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP4_272	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP4_272	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_272	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP4_272	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_272	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP4_272	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_272	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_272	O=Cc1ccccc1C=O	C643798
FP4_272	O=c1[nH]sc2c1cccc2	C2634335
FP4_272	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP4_272	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_272	Nn1cnnc1	C584134
FP4_272	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_272	O=c1n(C)sc(Cl)c1	C26172554
FP4_272	Oc1cc(C)ccc1C(C)C	C89838
FP4_272	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_272	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_272	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP4_272	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP4_272	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP4_272	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP4_272	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_272	O=C(OCCCC)c1ccccc1	C136607
FP4_272	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_272	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP4_272	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_272	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP4_272	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP4_272	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP4_272	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_272	CCCc1ccccc1	C103651
FP4_272	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_272	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP4_272	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_272	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP4_272	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_272	CC(C)(C)c1ccccc1	C98066
FP4_272	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_272	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_272	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_272	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP4_272	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_272	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_272	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_272	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_272	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP4_272	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_272	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP4_272	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_272	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_272	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP4_272	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_272	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_272	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_272	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_272	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_272	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_272	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_272	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_272	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_272	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP4_272	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_272	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_272	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP4_272	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_272	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_272	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP4_272	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_272	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP4_272	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP4_272	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_272	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_272	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_272	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP4_272	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_272	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_272	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_272	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP4_272	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_272	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_272	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP4_272	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_272	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_272	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_272	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_272	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_272	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_272	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP4_272	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_272	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_272	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_272	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP4_272	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_272	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_272	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_272	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_272	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_272	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_272	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_272	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_272	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_272	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_272	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_272	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_272	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_272	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_272	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_272	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_272	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_272	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP4_272	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_272	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_272	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_272	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_272	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_272	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_272	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_272	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_272	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP4_272	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP4_272	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_272	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP4_272	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_272	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP4_272	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_272	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP4_272	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP4_272	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP4_272	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_272	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_272	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_272	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_272	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_272	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_272	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_272	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_272	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_272	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_272	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_272	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_272	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_272	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_272	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_272	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_272	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_272	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_272	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
FP4_272	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP4_272	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP4_272	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP4_272	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP4_272	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP4_272	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_272	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_272	Oc1cc2c(cccc2)c2ccccc12	C484173
FP4_272	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP4_272	CCCCCCCCCCCCc1ccccc1	C123013
FP4_272	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_272	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP4_272	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_272	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_272	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_272	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_272	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_272	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_272	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_272	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_272	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_272	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_272	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_272	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_272	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_272	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_272	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_272	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_272	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_272	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_272	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_272	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_272	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_272	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_272	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_272	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_272	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_272	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_272	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_272	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_272	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_272	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_272	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_272	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_272	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_272	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_272	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_272	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_272	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_272	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_272	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_272	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_272	O=C(OCC)c1ccccc1	C93890
FP4_272	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_272	NCc1cccc(CN)c1	C1477550
FP4_272	n1cc(C)ccc1	C108996
FP4_272	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP4_272	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_272	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_272	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_272	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_272	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_272	Clc1ccc(N)cc1.Cl	C20265967
FP4_272	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
FP4_272	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
FP4_272	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_272	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP4_272	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_272	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_272	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_272	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_272	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_272	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_272	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP4_272	NNc1ccccc1.Cl	C59881
FP4_272	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP4_272	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP4_272	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
FP4_272	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP4_272	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP4_272	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP4_272	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP4_272	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP4_272	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_272	N#Cc1ccccc1	C100470
FP4_272	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_272	CC(c1ccc(CO)cc1)C	C536607
FP4_272	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP4_272	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP4_272	CN(C)c1ccc(C=O)cc1	C100107
FP4_272	Nc1ccc(Br)cc1	C106401
FP4_272	c1ccccc1Oc1ccc(O)cc1	C831823
FP4_272	c1c(I)c(O)c(I)cc1C#N	C1689834
FP4_272	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP4_272	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_272	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_272	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_272	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_272	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP4_272	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP4_272	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_272	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_272	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_272	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP4_272	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_272	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP4_272	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_272	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_272	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_272	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_272	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_272	Nc1ccc2cc3ccccc3cc2c1	C613138
FP4_272	Nc1ccc(OC)cc1	C104949
FP4_272	c12ccccc1ccc1c2cccn1	C85029
FP4_272	Brc1ccccc1c1ccccc1	C2052075
FP4_272	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP4_272	C(=O)(O)c1ccc(Cl)cc1	C74113
FP4_272	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_272	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_272	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP4_272	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_272	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_272	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_272	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_272	CCCCCc1cc(O)cc(O)c1	C500663
FP4_272	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP4_272	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_272	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP4_272	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_272	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP4_272	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_272	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP4_272	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP4_272	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP4_272	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_272	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
FP4_272	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_272	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_272	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_272	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
FP4_272	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP4_272	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_272	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_272	OCc1c[nH]c2c1cccc2	C700061
FP4_272	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_272	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP4_272	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_272	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_272	O=c1cc(C)o[nH]1	C10004441
FP4_272	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
FP4_272	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
FP4_272	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_272	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_272	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_272	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP4_272	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_272	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_272	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_272	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_272	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_272	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_272	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP4_272	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP4_272	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP4_272	Oc1ccc(cc1)Nc1ccccc1	C122372
FP4_272	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_272	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP4_272	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP4_272	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP4_272	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_272	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_272	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_272	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_272	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_272	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP4_272	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_272	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_272	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP4_272	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP4_272	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
FP4_272	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_272	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_272	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP4_272	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_272	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP4_272	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP4_272	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP4_272	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_272	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP4_272	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP4_272	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_272	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_272	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP4_272	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP4_272	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_272	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_272	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_272	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP4_272	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_272	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP4_272	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_272	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_272	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_272	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_272	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_272	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP4_272	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_272	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_272	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_272	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_272	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP4_272	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP4_272	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_272	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_272	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_272	Cl[Hg]c1ccccc1	C100561
FP4_272	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_272	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_272	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_272	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_272	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_272	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP4_272	O=[As]c1ccccc1	C637036
FP4_272	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_272	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_272	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_272	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_272	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_272	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_272	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_272	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
FP4_272	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
FP4_272	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_272	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP4_272	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_272	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP4_272	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_272	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP4_272	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP4_272	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_272	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_272	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP4_272	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP4_272	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_272	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_272	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_272	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_272	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP4_272	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_272	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_272	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP4_272	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP4_272	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_272	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP4_272	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_272	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP4_272	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP4_272	Nc1cccc(C)n1	C1824813
FP4_272	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP4_272	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP4_272	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP4_272	CC1COc2ccccc2N1	C32329207
FP4_272	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_272	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP4_272	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_272	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP4_272	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP4_272	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP4_272	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP4_272	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP4_272	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
FP4_272	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_272	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP4_272	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP4_272	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_272	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_272	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP4_272	COC(OC)C(C)c1ccccc1	C90879
FP4_272	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_272	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP4_272	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP4_272	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP4_272	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_272	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP4_272	NNC(=O)OCc1ccccc1	C5331431
FP4_272	c1(SSc2cccs2)cccs1	C6911519
FP4_272	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP4_272	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_272	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_272	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP4_272	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_272	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP4_272	O=COCc1ccc(OC)cc1	C122918
FP4_272	CCCCCc1ccco1	C3777693
FP4_272	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_273	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP4_273	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP4_273	c1(nc[nH]n1)N	C61825
FP4_273	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP4_273	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_273	[nH]1c2c(cccc2)nn1	C95147
FP4_273	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_273	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_273	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP4_273	CC1(C)OC2(C)CCC1CC2	C470826
FP4_273	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_273	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_273	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_273	c1cccc2[nH]ccc12	C120729
FP4_273	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_273	NC(=O)c1cccnc1	C98920
FP4_273	OC(=O)c1cccnc1	C59676
FP4_273	O=NN1CCCC1	C930552
FP4_273	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP4_273	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_273	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_273	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_273	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP4_273	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP4_273	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_273	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_273	OCCN1CCNCC1	C103764
FP4_273	NCCN1CCNCC1	C140318
FP4_273	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_273	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_273	CCCCCCC1OC(=O)CC1	C706149
FP4_273	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_273	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_273	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_273	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_273	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_273	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_273	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP4_273	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_273	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_273	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_273	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_273	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP4_273	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_273	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_273	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP4_273	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_273	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_273	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_273	c1ccc2ncsc2c1	C95169
FP4_273	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP4_273	C(OCCCC)C1CO1	C2426086
FP4_273	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_273	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP4_273	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_273	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_273	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_273	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_273	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_273	c1c(CO)occ1	C98000
FP4_273	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_273	C1COCCN1	C110918
FP4_273	c12ncccc1ccc1c2nccc1	C66717
FP4_273	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP4_273	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_273	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP4_273	Cc1cccc2nn[nH]c12	C29385431
FP4_273	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_273	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP4_273	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_273	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP4_273	O=C1c2c(cccc2)C(=O)N1	C85416
FP4_273	N1(SSN2CCOCC2)CCOCC1	C103344
FP4_273	O=C1OCC(C)O1	C108327
FP4_273	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_273	N1CCCCCC1	C111499
FP4_273	O=C1c2c(cccc2)C(=O)N1C	C550447
FP4_273	O=C1NCCC1	C616455
FP4_273	Oc1cccc2c1OC(C)(C)C2	C1563388
FP4_273	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP4_273	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_273	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP4_273	C1(CO1)COCCCCCCCCCCCC	C68609972
FP4_273	OCC1OCCC1	C97994
FP4_273	CN1CCOCC1	C109024
FP4_273	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_273	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP4_273	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP4_273	n1c[nH]cc1	C288324
FP4_273	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_273	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_273	O=C1NC2NC(=O)NC2N1	C496468
FP4_273	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_273	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP4_273	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_273	CCN1CN(CC)CN(CC)C1	C7779273
FP4_273	OCn1nc(C)cc1C	C85264331
FP4_273	Clc1c(Cl)ssc1=O	C1192525
FP4_273	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_273	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_273	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_273	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_273	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_273	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_273	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
FP4_273	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_273	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_273	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_273	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_273	O=C1OC(CCCCC)CC1	C104610
FP4_273	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_273	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_273	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_273	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_273	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_273	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_273	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_273	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_273	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_273	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_273	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_273	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_273	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_273	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP4_273	O=C1N(CCCCCCCC)CCC1	C2687947
FP4_273	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_273	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
FP4_273	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_273	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP4_273	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
FP4_273	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_273	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP4_273	O=C1OCC(CC)O1	C4437858
FP4_273	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP4_273	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_273	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_273	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_273	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_273	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP4_273	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP4_273	O=C1C=CC(=O)N1c1ccccc1	C941695
FP4_273	O=C1CCC(O1)CC	C695067
FP4_273	O=C1OC(CCCCCC)(C)CC1	C7011838
FP4_273	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_273	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_273	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_273	O1C=CCCC1	C110872
FP4_273	O=c1ccoc(CC)c1O	C4940118
FP4_273	NCCCN1CCOCC1	C123002
FP4_273	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP4_273	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_273	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP4_273	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_273	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_273	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_273	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
FP4_273	CCCCCCCCCCCCN1CCOCC1	C1541817
FP4_273	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP4_273	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_273	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_273	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_273	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_273	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP4_273	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_273	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_273	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP4_273	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_273	O=C1OC(CCC)CC1	C105215
FP4_273	c12ccccc1c1c(cccc1)s2	C132650
FP4_273	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP4_273	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP4_273	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_273	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_273	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_273	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_273	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_273	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_273	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
FP4_273	S=C1NCCN1	C96457
FP4_273	O=c1ccc(=O)[nH][nH]1	C123331
FP4_273	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_273	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_273	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP4_273	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_273	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_273	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_273	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_273	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP4_273	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_273	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_273	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_273	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_273	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_273	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_273	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_273	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_273	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_273	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_273	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP4_273	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_273	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_273	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_273	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_273	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_273	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_273	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_273	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_273	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_273	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_273	O=C(SCC)N1CCCCCC1	C2212671
FP4_273	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_273	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_273	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_273	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_273	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_273	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_273	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_273	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_273	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_273	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_273	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_273	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_273	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_273	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_273	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_273	CN1CN(C)CSC1=S	C533744
FP4_273	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_273	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_273	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_273	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_273	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_273	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_273	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP4_273	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_273	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_273	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_273	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_273	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_273	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_273	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_273	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_273	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_273	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_273	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_273	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_273	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_273	O=C(SC)c1cccc2c1snn2	C135158542
FP4_273	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_273	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_273	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_273	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_273	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_273	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_273	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_273	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_273	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_273	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_273	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_273	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_273	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_273	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_273	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_273	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_273	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_273	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_273	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_273	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_273	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_273	N#CSCSc1nc2ccccc2s1	C21564170
FP4_273	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_273	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_273	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_273	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_273	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_273	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP4_273	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_273	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_273	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_273	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_273	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_273	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_273	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_273	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_273	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_273	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_273	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP4_273	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_273	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_273	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_273	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP4_273	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_273	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP4_273	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_273	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_273	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_273	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_273	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_273	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_273	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_273	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_273	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_273	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_273	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_273	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_273	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_273	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_273	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_273	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_273	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_273	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_273	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_273	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_273	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_273	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_273	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_273	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_273	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_273	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_273	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_273	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_273	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_273	Clc1nc(NCC)nc(N)n1	C1007289
FP4_273	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_273	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_273	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_273	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_273	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_273	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_273	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_273	c1coc2c1cccc2	C271896
FP4_273	O=C1CCCO1	C96480
FP4_273	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_273	O=C1CCCCCN1	C105602
FP4_273	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_273	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_273	O=c1oc2c(cccc2)cc1	C91645
FP4_273	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_273	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_273	CC1CC(OC(O1)C)OC(=O)C	C828002
FP4_273	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_273	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_273	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_273	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP4_273	O1C2C1CCC(C2)C1CO1	C106876
FP4_273	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_273	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_273	O=Cc1ccco1	C98011
FP4_273	OCC1CO1	C556525
FP4_273	C1N2CN3CN(C2)CN1C3	C100970
FP4_273	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP4_273	Oc1cccc2cccnc12	C148243
FP4_273	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_273	O=C(c1ccncc1)NN	C54853
FP4_273	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_273	Sc1nc2c(cccc2)s1	C149304
FP4_273	[nH]1c(=S)n(cc1)C	C60560
FP4_273	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_273	O=C1N(CCC1)C	C872504
FP4_273	Cc1cc2cccnc2cc1	C91623
FP4_273	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_273	CN1CCC[C@H]1c1cnccc1	C54115
FP4_273	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_273	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_273	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_273	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP4_273	N1c2c(cccc2)Sc2ccccc12	C92842
FP4_273	C1CNCCN1	C110850
FP4_273	O=S1(=O)CCCO1	C1120714
FP4_273	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_273	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_273	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_273	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_273	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_273	C=CCc1ccc2c(c1)OCO2	C94597
FP4_273	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_273	C1C(c2ccccc2)O1	C96093
FP4_273	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP4_273	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_273	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_273	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_273	O=C1N(C=C)CCC1	C88120
FP4_273	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_273	CC1(C)NC(=O)NC1=O	C77714
FP4_273	n1cccc2c1cccc2	C91225
FP4_273	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_273	c1cccc2c3ccccc3oc12	C132649
FP4_273	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_273	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_273	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP4_273	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_273	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_273	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_273	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_273	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_273	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_273	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP4_273	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_273	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_273	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_273	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_273	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_273	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_273	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_273	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
FP4_273	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP4_273	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_273	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP4_273	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_273	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_273	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP4_273	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_273	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_273	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_273	o1c(C)c(O)c(=O)cc1	C118718
FP4_273	O=c1ccsn1CCCCCCCC	C26530201
FP4_273	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_273	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP4_273	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_273	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_273	N#Cc1cnccc1	C100549
FP4_273	[nH]1ncnc1	C288880
FP4_273	c1(c2ccncc2)ccncc1	C553264
FP4_273	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
FP4_273	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP4_273	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_273	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_273	CCC12N(COC1)COC2	C7747355
FP4_273	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_273	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_273	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP4_273	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_273	O=c1[nH]sc2c1cccc2	C2634335
FP4_273	Nn1cnnc1	C584134
FP4_273	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_273	O=c1n(C)sc(Cl)c1	C26172554
FP4_273	O=C1CCC(O1)CCCCCCC	C104676
FP4_273	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_273	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_273	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_273	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_273	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP4_273	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_273	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
FP4_273	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_273	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP4_273	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP4_273	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_273	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_273	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_273	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_273	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_273	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_273	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP4_273	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_273	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_273	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_273	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_273	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP4_273	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_273	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP4_273	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_273	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_273	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP4_273	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_273	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_273	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_273	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_273	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_273	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_273	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_273	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_273	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP4_273	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_273	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_273	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_273	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_273	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP4_273	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_273	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP4_273	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_273	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_273	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_273	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_273	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_273	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_273	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_273	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_273	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP4_273	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_273	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_273	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_273	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_273	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP4_273	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_273	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_273	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_273	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_273	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_273	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_273	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_273	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_273	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_273	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_273	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_273	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_273	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_273	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_273	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_273	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_273	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_273	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_273	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_273	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_273	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP4_273	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_273	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_273	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_273	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_273	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_273	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_273	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_273	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP4_273	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP4_273	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_273	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP4_273	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_273	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP4_273	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_273	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP4_273	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP4_273	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_273	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_273	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_273	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_273	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_273	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_273	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_273	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_273	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_273	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_273	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_273	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_273	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_273	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_273	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_273	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_273	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_273	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP4_273	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_273	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_273	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_273	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP4_273	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_273	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_273	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_273	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_273	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_273	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_273	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_273	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_273	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_273	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_273	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_273	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_273	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_273	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_273	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_273	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_273	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_273	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_273	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_273	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_273	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_273	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_273	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_273	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_273	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_273	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_273	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_273	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_273	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_273	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_273	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_273	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_273	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_273	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_273	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_273	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_273	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_273	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_273	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_273	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_273	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
FP4_273	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_273	n1cc(C)ccc1	C108996
FP4_273	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP4_273	CCC1CO1	C106887
FP4_273	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_273	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_273	CC1CC(=O)O1	C3068880
FP4_273	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_273	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_273	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_273	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_273	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_273	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_273	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_273	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_273	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_273	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_273	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP4_273	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_273	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_273	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_273	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_273	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP4_273	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_273	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_273	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_273	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_273	c12ccccc1ccc1c2cccn1	C85029
FP4_273	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_273	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_273	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP4_273	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
FP4_273	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_273	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_273	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_273	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_273	OCc1c[nH]c2c1cccc2	C700061
FP4_273	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_273	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_273	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_273	O=c1cc(C)o[nH]1	C10004441
FP4_273	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
FP4_273	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_273	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_273	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_273	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_273	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP4_273	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_273	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
FP4_273	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_273	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP4_273	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_273	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
FP4_273	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_273	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP4_273	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_273	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_273	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_273	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_273	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_273	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_273	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_273	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP4_273	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_273	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_273	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_273	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP4_273	O=CN1CCCCC1	C2591868
FP4_273	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_273	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP4_273	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_273	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
FP4_273	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP4_273	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_273	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_273	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP4_273	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP4_273	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_273	Nc1cccc(C)n1	C1824813
FP4_273	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP4_273	CC1COc2ccccc2N1	C32329207
FP4_273	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_273	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_273	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP4_273	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP4_273	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP4_273	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_273	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_273	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP4_273	c1(SSc2cccs2)cccs1	C6911519
FP4_273	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_273	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP4_273	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_273	CCCCCc1ccco1	C3777693
FP4_273	OC1(C)SCC(O)(C)SC1	C55704784
FP4_273	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_274	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP4_274	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP4_274	C(OCCCC)C1CO1	C2426086
FP4_274	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP4_274	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP4_274	C1(CO1)COCCCCCCCCCCCC	C68609972
FP4_274	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_274	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_274	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_274	O1C2C1CCC(C2)C1CO1	C106876
FP4_274	OCC1CO1	C556525
FP4_274	C1C(c2ccccc2)O1	C96093
FP4_274	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP4_274	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_274	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_274	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_274	CCC1CO1	C106887
FP4_274	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_274	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP4_274	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP4_274	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP4_285	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP4_285	C=CC#N	C107131
FP4_285	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP4_285	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
FP4_285	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP4_285	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_285	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_285	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP4_285	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_285	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_285	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP4_285	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_285	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
FP4_285	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP4_285	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP4_285	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_285	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_285	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
FP4_285	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
FP4_285	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_285	C=Cc1ccc(cc1)C	C622979
FP4_285	NC(=O)c1cccnc1	C98920
FP4_285	OC(=O)c1cccnc1	C59676
FP4_285	N(c1ccc(cc1)N=O)c1ccccc1	C156105
FP4_285	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_285	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP4_285	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_285	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_285	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_285	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_285	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_285	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_285	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP4_285	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_285	O=C(O)/C=C\C(=O)O	C110167
FP4_285	OC(=O)/C=C/C(=O)O	C110178
FP4_285	c1(O)ccccc1C(=O)N	C65452
FP4_285	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_285	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP4_285	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_285	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_285	O=Cc1ccccc1O	C90028
FP4_285	c1cc(N)ccc1C(=O)OCC	C94097
FP4_285	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP4_285	O=Cc1cc(OCC)c(O)cc1	C121324
FP4_285	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_285	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_285	C=CC(=O)OCCO	C818611
FP4_285	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_285	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_285	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
FP4_285	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_285	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_285	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_285	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_285	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP4_285	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP4_285	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP4_285	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP4_285	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP4_285	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_285	C(=O)(/C=C/c1ccccc1)O	C140103
FP4_285	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP4_285	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_285	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP4_285	C(=O)(c1ccc(cc1)O)OCC	C120478
FP4_285	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_285	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_285	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_285	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_285	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_285	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_285	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_285	CC(=C)C#N	C126987
FP4_285	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_285	O=C(N)N=NC(=O)N	C123773
FP4_285	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP4_285	O=C(OCCCC)C=C	C141322
FP4_285	O=C/C=C/c1ccccc1	C14371109
FP4_285	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_285	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP4_285	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_285	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_285	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP4_285	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_285	C=Cc1ccccc1C=C	C1321740
FP4_285	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_285	O=C(OCC)c1c(N)cccc1	C87252
FP4_285	CCC(=CCCC)C=O	C645625
FP4_285	O=C(OCC(CCCC)CC)C=C	C103117
FP4_285	O=C(OCCCCCC)c1ccccc1	C6789884
FP4_285	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_285	O=C(C)C=Cc1ccccc1	C122576
FP4_285	[N+](=O)([O-])c1ccccc1N	C88744
FP4_285	C(=O)(O)C(=O)O	C144627
FP4_285	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_285	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP4_285	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP4_285	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP4_285	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_285	O(C)c1cc(C=O)ccc1OC	C120149
FP4_285	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_285	O=C(O)c1ccccc1O	C69727
FP4_285	O=C1c2c(cccc2)C(=O)N1	C85416
FP4_285	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
FP4_285	O=C(O)c1ccc(O)cc1	C99967
FP4_285	O=Cc1ccc(OC)cc1	C123115
FP4_285	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_285	C1=CC=CC1	C542927
FP4_285	O=C1c2c(cccc2)C(=O)N1C	C550447
FP4_285	O=S(=O)(c1ccccc1O)O	C1333397
FP4_285	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP4_285	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP4_285	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_285	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
FP4_285	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP4_285	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_285	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_285	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_285	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP4_285	O=S(=O)(c1ccc(C)cc1)N	C70553
FP4_285	O=C(c1ccc(O)cc1)C	C99934
FP4_285	O=C(OCc1ccccc1)c1ccccc1	C120514
FP4_285	CCCCCC(=Cc1ccccc1)C=O	C122407
FP4_285	O=C(C=C(C)C)C	C141797
FP4_285	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_285	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP4_285	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_285	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP4_285	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP4_285	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_285	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_285	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_285	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP4_285	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP4_285	Clc1c(Cl)ssc1=O	C1192525
FP4_285	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP4_285	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP4_285	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP4_285	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_285	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_285	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_285	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_285	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_285	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_285	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP4_285	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_285	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_285	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_285	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_285	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_285	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_285	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_285	O=C(CBr)c1ccc(O)cc1	C2491385
FP4_285	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_285	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_285	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_285	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP4_285	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_285	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_285	OCCCCCCC/C=C/C=C/C	C33956499
FP4_285	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_285	CC(=CCCC(=CC#N)C)C	C5146667
FP4_285	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_285	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_285	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_285	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP4_285	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP4_285	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP4_285	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP4_285	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP4_285	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_285	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_285	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_285	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_285	O=C(O)c1ccccc1OCCCCCC	C6259763
FP4_285	O=C(c1ccccc1O)C	C118934
FP4_285	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_285	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP4_285	O=C(OCC)c1c(C)cccc1	C87241
FP4_285	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP4_285	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_285	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_285	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_285	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_285	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_285	CC1=CC=C(C(C)C)CC1	C99865
FP4_285	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP4_285	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP4_285	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP4_285	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP4_285	O=C1C=CC(=O)N1c1ccccc1	C941695
FP4_285	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_285	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP4_285	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP4_285	O=C(C)c1cc2ccccc2cc1	C93083
FP4_285	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP4_285	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_285	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_285	O=C/C=C/CCC	C6728263
FP4_285	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_285	OCC=Cc1ccccc1	C104541
FP4_285	O=c1ccoc(CC)c1O	C4940118
FP4_285	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_285	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP4_285	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_285	O=S(=O)(c1cc(C)ccc1C)O	C609541
FP4_285	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_285	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_285	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP4_285	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP4_285	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP4_285	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_285	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_285	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_285	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_285	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_285	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_285	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_285	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_285	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_285	c12ccccc1CC=C2	C95136
FP4_285	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_285	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP4_285	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_285	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_285	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_285	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_285	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_285	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP4_285	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_285	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_285	O=C(c1ccccc1)Cc1ccccc1	C451401
FP4_285	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP4_285	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_285	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_285	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_285	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_285	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_285	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_285	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_285	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_285	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_285	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP4_285	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
FP4_285	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_285	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP4_285	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_285	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_285	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_285	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP4_285	O=C(c1ccccc1)OCCC(C)C	C94462
FP4_285	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_285	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_285	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_285	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP4_285	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP4_285	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP4_285	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_285	O=C(c1ccccc1)c1ccccc1O	C117997
FP4_285	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP4_285	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP4_285	O=C(C1CCCCC1)c1ccccc1	C712505
FP4_285	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_285	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_285	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP4_285	O=C(CCCCCC)c1ccccc1	C1671756
FP4_285	O=C(O)c1c(C)cc(C)cc1C	C480637
FP4_285	O=C(c1ccccc1)C1CCC1	C5407987
FP4_285	O=C(c1ccccc1)C(C)C	C611701
FP4_285	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_285	O=C(OC)c1c(C)cccc1	C89714
FP4_285	O=C(c1ccccc1)C(C)(C)C	C938169
FP4_285	O=C(Oc1ccccc1)c1ccccc1	C93992
FP4_285	O=C(OCC)c1ccc(C)cc1	C94086
FP4_285	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_285	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_285	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_285	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP4_285	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_285	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP4_285	O=c1ccc(=O)[nH][nH]1	C123331
FP4_285	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_285	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_285	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP4_285	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_285	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_285	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_285	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_285	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP4_285	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_285	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP4_285	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_285	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP4_285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_285	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP4_285	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_285	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_285	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_285	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_285	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_285	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_285	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP4_285	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP4_285	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP4_285	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_285	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_285	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_285	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_285	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_285	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_285	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_285	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_285	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_285	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_285	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_285	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_285	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_285	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP4_285	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_285	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP4_285	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_285	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_285	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_285	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_285	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_285	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_285	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_285	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_285	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_285	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_285	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_285	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_285	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_285	O=C(SC)c1cccc2c1snn2	C135158542
FP4_285	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_285	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_285	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_285	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_285	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_285	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_285	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_285	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_285	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_285	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_285	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_285	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP4_285	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_285	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_285	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_285	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP4_285	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_285	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_285	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_285	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_285	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_285	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_285	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_285	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_285	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_285	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_285	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_285	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_285	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_285	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_285	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_285	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_285	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_285	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_285	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_285	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP4_285	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_285	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_285	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_285	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_285	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_285	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_285	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_285	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_285	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_285	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_285	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_285	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_285	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_285	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_285	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_285	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_285	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_285	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP4_285	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_285	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_285	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_285	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_285	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_285	O=C(OC)c1ccccc1C(=O)O	C4376185
FP4_285	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP4_285	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_285	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_285	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_285	NC(=O)C=C	C79061
FP4_285	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP4_285	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_285	C/C=C/c1ccc(cc1)OC	C4180238
FP4_285	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_285	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP4_285	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_285	c1(N=Nc2ccccc2)ccccc1	C103333
FP4_285	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_285	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_285	OC(=O)c1ccccc1	C65850
FP4_285	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_285	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP4_285	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_285	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_285	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP4_285	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_285	O=C(c1ccccc1)CCl	C532274
FP4_285	O=c1oc2c(cccc2)cc1	C91645
FP4_285	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP4_285	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP4_285	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP4_285	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_285	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_285	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_285	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_285	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP4_285	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_285	O=Cc1ccco1	C98011
FP4_285	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_285	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP4_285	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_285	O=C(c1ccncc1)NN	C54853
FP4_285	CC1(CC(=CC(=O)C1)C)C	C78591
FP4_285	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_285	[nH]1c(=S)n(cc1)C	C60560
FP4_285	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_285	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_285	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP4_285	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_285	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_285	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_285	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_285	O=[N+](c1ccccc1)[O-]	C98953
FP4_285	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_285	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_285	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_285	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_285	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP4_285	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP4_285	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_285	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_285	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_285	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_285	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_285	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_285	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_285	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_285	OC(=O)C=CC=CC	C110441
FP4_285	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP4_285	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_285	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_285	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_285	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_285	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP4_285	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP4_285	c1ccccc1C(=O)C	C98862
FP4_285	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_285	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_285	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP4_285	c1ccccc1C(=O)c1ccccc1	C119619
FP4_285	c1(C=O)cc(OC)c(O)cc1	C121335
FP4_285	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_285	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_285	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_285	Oc1ccc(C=CC)cc1OC	C97541
FP4_285	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_285	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP4_285	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP4_285	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP4_285	C(=O)(c1ccc(cc1)O)OC	C99763
FP4_285	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_285	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_285	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_285	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_285	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_285	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_285	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_285	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_285	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_285	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_285	O=N(=O)c1ccc(C)cc1	C99990
FP4_285	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP4_285	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_285	c1cc2cccc3C=Cc(c1)c23	C208968
FP4_285	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP4_285	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
FP4_285	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_285	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_285	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_285	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_285	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_285	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_285	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_285	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP4_285	O=C(O)c1ccc(N)cc1	C150130
FP4_285	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP4_285	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP4_285	O=CC=C(C)CCC=C(C)C	C5392405
FP4_285	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP4_285	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_285	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_285	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP4_285	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_285	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_285	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_285	o1c(C)c(O)c(=O)cc1	C118718
FP4_285	O=C(OC)c1c(N)cccc1	C134203
FP4_285	O=C(NCNC(=O)C=C)C=C	C110269
FP4_285	O=C(OC)c1c(O)cccc1	C119368
FP4_285	C(=C)(C=C)CCC=C(C)C	C123353
FP4_285	[N+](=O)([O-])c1ccccc1C	C88722
FP4_285	O=c1ccsn1CCCCCCCC	C26530201
FP4_285	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_285	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP4_285	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_285	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP4_285	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_285	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP4_285	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_285	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP4_285	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP4_285	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_285	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_285	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_285	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_285	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP4_285	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP4_285	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP4_285	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP4_285	O=C(OCCCCCC(C)C)C=C	C29590429
FP4_285	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP4_285	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP4_285	O=C(N)C(=C)C	C79390
FP4_285	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP4_285	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP4_285	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_285	O=Cc1ccccc1C=O	C643798
FP4_285	O=c1[nH]sc2c1cccc2	C2634335
FP4_285	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_285	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_285	O=c1n(C)sc(Cl)c1	C26172554
FP4_285	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
FP4_285	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_285	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP4_285	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP4_285	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_285	O=C(OCCCC)c1ccccc1	C136607
FP4_285	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_285	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_285	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_285	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP4_285	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP4_285	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_285	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_285	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_285	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_285	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_285	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_285	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_285	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP4_285	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_285	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_285	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_285	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_285	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_285	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_285	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_285	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP4_285	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_285	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_285	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_285	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_285	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP4_285	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_285	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_285	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_285	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP4_285	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_285	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_285	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP4_285	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_285	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_285	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_285	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_285	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_285	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_285	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_285	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_285	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_285	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_285	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_285	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_285	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_285	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_285	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP4_285	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_285	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_285	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_285	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_285	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_285	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_285	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP4_285	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP4_285	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_285	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_285	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP4_285	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_285	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_285	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_285	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_285	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_285	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_285	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_285	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_285	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_285	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_285	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_285	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_285	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_285	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_285	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_285	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_285	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_285	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_285	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP4_285	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP4_285	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP4_285	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_285	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP4_285	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP4_285	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_285	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_285	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_285	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_285	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_285	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_285	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_285	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_285	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_285	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_285	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_285	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_285	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_285	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_285	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_285	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_285	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_285	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_285	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_285	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_285	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_285	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_285	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_285	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_285	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_285	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_285	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_285	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_285	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_285	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_285	O=C(OCC)c1ccccc1	C93890
FP4_285	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_285	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_285	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_285	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP4_285	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_285	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_285	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_285	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_285	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP4_285	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
FP4_285	O=C(/C=C\C(=O)OCC)OCC	C141059
FP4_285	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_285	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_285	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_285	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_285	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_285	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_285	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP4_285	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP4_285	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP4_285	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP4_285	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_285	CC(=O)C(=O)O	C127173
FP4_285	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP4_285	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP4_285	CN(C)c1ccc(C=O)cc1	C100107
FP4_285	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP4_285	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_285	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_285	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_285	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_285	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP4_285	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_285	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_285	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_285	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP4_285	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_285	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP4_285	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_285	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_285	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_285	C(=O)(O)c1ccc(Cl)cc1	C74113
FP4_285	O=CC=CC=CCCCCC	C25152845
FP4_285	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_285	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_285	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP4_285	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
FP4_285	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_285	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_285	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_285	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_285	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP4_285	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP4_285	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_285	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP4_285	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_285	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP4_285	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_285	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP4_285	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP4_285	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP4_285	O=C(O)C(=O)C(C)(C)C	C815178
FP4_285	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_285	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP4_285	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_285	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
FP4_285	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
FP4_285	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_285	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP4_285	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_285	O=c1cc(C)o[nH]1	C10004441
FP4_285	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
FP4_285	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
FP4_285	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_285	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_285	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_285	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_285	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_285	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_285	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_285	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_285	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_285	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP4_285	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP4_285	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP4_285	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP4_285	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_285	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_285	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_285	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_285	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_285	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP4_285	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_285	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP4_285	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_285	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP4_285	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP4_285	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP4_285	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_285	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_285	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_285	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_285	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_285	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP4_285	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_285	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_285	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_285	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP4_285	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_285	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP4_285	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP4_285	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_285	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_285	O=[As]c1ccccc1	C637036
FP4_285	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
FP4_285	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_285	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_285	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_285	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP4_285	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_285	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_285	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_285	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_285	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_285	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP4_285	O=C(OCCOC(=O)C=C)C=C	C2274115
FP4_285	O=C(OCCCCO)C=C	C2478106
FP4_285	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_285	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_285	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP4_285	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_285	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
FP4_285	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP4_285	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_285	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP4_285	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP4_285	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP4_285	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_285	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP4_285	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_285	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP4_285	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP4_285	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
FP4_285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_285	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP4_285	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_285	O=C/C=C/CCCCCCC	C3913813
FP4_285	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP4_285	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP4_285	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP4_285	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_285	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_285	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_285	CCC(=O)C(=O)CC	C4437518
FP4_285	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_286	C=CC#N	C107131
FP4_286	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_286	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_286	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_286	CC(=C)C#N	C126987
FP4_286	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_286	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_286	CC(=CCCC(=CC#N)C)C	C5146667
FP4_286	N#Cc1c(O)cccc1	C611201
FP4_286	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP4_286	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP4_286	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_286	N#Cc1c(Cl)cccc1Cl	C1194656
FP4_286	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_286	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_286	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_286	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_286	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_286	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_286	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_286	N#Cc1cnccc1	C100549
FP4_286	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_286	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP4_286	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_286	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_286	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_286	N#Cc1ccccc1	C100470
FP4_286	c1c(I)c(O)c(I)cc1C#N	C1689834
FP4_286	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_286	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_286	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_286	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP4_286	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_286	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP4_286	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_287	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_287	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_287	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_287	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_287	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP4_287	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_287	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_287	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_287	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_287	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_287	O=C(O)/C=C\C(=O)O	C110167
FP4_287	OC(=O)/C=C/C(=O)O	C110178
FP4_287	CC/C=C\CCO	C928961
FP4_287	C(=O)(/C=C/c1ccccc1)O	C140103
FP4_287	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_287	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_287	Cl/C=C/Cl	C156605
FP4_287	O=C(N)N=NC(=O)N	C123773
FP4_287	ON=CCCC	C110690
FP4_287	O=C/C=C/c1ccccc1	C14371109
FP4_287	C12C3C=CC(C3)C1C=CC2	C77736
FP4_287	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_287	CC=C1CC2C=CC1C2	C16219753
FP4_287	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_287	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP4_287	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP4_287	O=C(C)C=Cc1ccccc1	C122576
FP4_287	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP4_287	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_287	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP4_287	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_287	C1=CC=CC1	C542927
FP4_287	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP4_287	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_287	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP4_287	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_287	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_287	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_287	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_287	OCCCCCCC/C=C/C=C/C	C33956499
FP4_287	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_287	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP4_287	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_287	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_287	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_287	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_287	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_287	O=C1C=CC(=O)N1c1ccccc1	C941695
FP4_287	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_287	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP4_287	O=C/C=C/CCC	C6728263
FP4_287	O1C=CCCC1	C110872
FP4_287	O=C(C)OCC/C=C\CC	C3681718
FP4_287	OCC=Cc1ccccc1	C104541
FP4_287	O=CCC/C=C\CCCCC	C21662099
FP4_287	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP4_287	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_287	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP4_287	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_287	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_287	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_287	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_287	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_287	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_287	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP4_287	c12ccccc1CC=C2	C95136
FP4_287	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP4_287	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_287	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_287	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_287	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_287	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_287	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_287	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_287	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_287	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP4_287	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_287	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_287	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP4_287	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_287	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_287	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_287	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_287	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_287	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_287	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_287	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_287	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_287	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP4_287	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_287	C/C=C/c1ccc(cc1)OC	C4180238
FP4_287	c1(N=Nc2ccccc2)ccccc1	C103333
FP4_287	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_287	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_287	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
FP4_287	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_287	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_287	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_287	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP4_287	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_287	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_287	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_287	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_287	OC(=O)C=CC=CC	C110441
FP4_287	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_287	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_287	Oc1ccc(C=CC)cc1OC	C97541
FP4_287	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_287	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_287	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_287	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_287	c1cc2cccc3C=Cc(c1)c23	C208968
FP4_287	ON=CC(C)(C)SC	C1646759
FP4_287	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_287	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP4_287	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP4_287	C1=CCCC=CCCC=CCC1	C4904614
FP4_287	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_287	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_287	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_287	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_287	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_287	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP4_287	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_287	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_287	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_287	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_287	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_287	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_287	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_287	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP4_287	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_287	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP4_287	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_287	O=C(/C=C\C(=O)OCC)OCC	C141059
FP4_287	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP4_287	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_287	O=CC=CC=CCCCCC	C25152845
FP4_287	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_287	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_287	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP4_287	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP4_287	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP4_287	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_287	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_287	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_287	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP4_287	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_287	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_287	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
FP4_287	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_287	O=C/C=C/CCCCCCC	C3913813
FP4_287	CC/C=C\CCOC(OCC)C	C28069741
FP4_287	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_288	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_288	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_288	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_288	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_288	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP4_288	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_288	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_288	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_288	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_288	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_288	O=C(O)/C=C\C(=O)O	C110167
FP4_288	OC(=O)/C=C/C(=O)O	C110178
FP4_288	CC/C=C\CCO	C928961
FP4_288	C(=O)(/C=C/c1ccccc1)O	C140103
FP4_288	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_288	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_288	Cl/C=C/Cl	C156605
FP4_288	O=C(N)N=NC(=O)N	C123773
FP4_288	ON=CCCC	C110690
FP4_288	O=C/C=C/c1ccccc1	C14371109
FP4_288	C12C3C=CC(C3)C1C=CC2	C77736
FP4_288	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_288	CC=C1CC2C=CC1C2	C16219753
FP4_288	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_288	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP4_288	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP4_288	O=C(C)C=Cc1ccccc1	C122576
FP4_288	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP4_288	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_288	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP4_288	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_288	C1=CC=CC1	C542927
FP4_288	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP4_288	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_288	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP4_288	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_288	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_288	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_288	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_288	OCCCCCCC/C=C/C=C/C	C33956499
FP4_288	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_288	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP4_288	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_288	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_288	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_288	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_288	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_288	O=C1C=CC(=O)N1c1ccccc1	C941695
FP4_288	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_288	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP4_288	O=C/C=C/CCC	C6728263
FP4_288	O1C=CCCC1	C110872
FP4_288	O=C(C)OCC/C=C\CC	C3681718
FP4_288	OCC=Cc1ccccc1	C104541
FP4_288	O=CCC/C=C\CCCCC	C21662099
FP4_288	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP4_288	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_288	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP4_288	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_288	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_288	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_288	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_288	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_288	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_288	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP4_288	c12ccccc1CC=C2	C95136
FP4_288	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP4_288	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_288	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_288	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_288	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_288	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_288	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_288	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_288	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_288	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP4_288	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_288	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_288	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP4_288	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_288	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_288	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_288	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_288	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_288	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_288	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_288	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_288	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_288	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
FP4_288	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_288	C/C=C/c1ccc(cc1)OC	C4180238
FP4_288	c1(N=Nc2ccccc2)ccccc1	C103333
FP4_288	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_288	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_288	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
FP4_288	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_288	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_288	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_288	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP4_288	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_288	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_288	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_288	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_288	OC(=O)C=CC=CC	C110441
FP4_288	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_288	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_288	Oc1ccc(C=CC)cc1OC	C97541
FP4_288	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_288	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_288	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_288	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_288	c1cc2cccc3C=Cc(c1)c23	C208968
FP4_288	ON=CC(C)(C)SC	C1646759
FP4_288	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_288	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP4_288	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP4_288	C1=CCCC=CCCC=CCC1	C4904614
FP4_288	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_288	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_288	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_288	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_288	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_288	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP4_288	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_288	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_288	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_288	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_288	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_288	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_288	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_288	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP4_288	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_288	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP4_288	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_288	O=C(/C=C\C(=O)OCC)OCC	C141059
FP4_288	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP4_288	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_288	O=CC=CC=CCCCCC	C25152845
FP4_288	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_288	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_288	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP4_288	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP4_288	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP4_288	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_288	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_288	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_288	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
FP4_288	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_288	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_288	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
FP4_288	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_288	O=C/C=C/CCCCCCC	C3913813
FP4_288	CC/C=C\CCOC(OCC)C	C28069741
FP4_288	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_290	F[B-](F)(F)F.[Na+]	C13755298
FP4_290	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_290	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_290	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_290	ClP(c1ccccc1)Cl	C644973
FP4_290	Cl[Sn](CCCC)(Cl)CCCC	C683181
FP4_290	Cl[Sn](C)(C)Cl	C753731
FP4_290	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_290	Cl[Sn](Cl)(Cl)CCCC	C1118463
FP4_290	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_290	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_290	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
FP4_290	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_290	[Na]I	C7681825
FP4_290	Cl[Dy](Cl)Cl	C10025748
FP4_290	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_290	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_290	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_290	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
FP4_290	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_290	Cl[In](Cl)Cl	C10025828
FP4_290	Br[Sn](CC)(CC)CC	C2767546
FP4_290	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP4_290	Cl[Hg]c1ccccc1	C100561
FP4_290	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
FP4_290	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
FP4_290	Cl[Sb](Cl)Cl	C10025919
FP4_290	Cl[Au](Cl)Cl	C13453071
FP4_290	Cl[In](Cl)Cl.O.O	C143983919
FP4_293	CC(=O)N	C60355
FP4_293	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
FP4_293	C=CC#N	C107131
FP4_293	O=C1C(NC(=O)N1)NC(=O)N	C97596
FP4_293	C=CCO	C107186
FP4_293	C=CCN=C=S	C57067
FP4_293	c1(nc[nH]n1)N	C61825
FP4_293	Nc1ccccc1.Cl	C142041
FP4_293	Nc1ccc(OC)cc1.Cl	C20265978
FP4_293	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
FP4_293	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
FP4_293	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
FP4_293	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
FP4_293	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
FP4_293	[nH]1c2c(cccc2)nn1	C95147
FP4_293	CC(=O)OCc1ccccc1	C140114
FP4_293	CC(CNCC(C)O)O	C110974
FP4_293	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
FP4_293	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_293	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
FP4_293	C(=O)(c1ccc(cc1)O)OCCCC	C94268
FP4_293	CC(c1c(ccc(c1)C)O)(C)C	C2409554
FP4_293	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
FP4_293	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
FP4_293	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_293	Clc1c(ccc(c1)N)C	C95749
FP4_293	O=CCCl	C107200
FP4_293	ClCOC	C107302
FP4_293	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
FP4_293	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP4_293	NC(=N)NC#N	C461585
FP4_293	O=C1CCCCC1	C108941
FP4_293	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
FP4_293	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
FP4_293	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
FP4_293	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
FP4_293	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
FP4_293	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
FP4_293	S=C(NCC)NCC	C105555
FP4_293	CN(C)C(=O)C	C127195
FP4_293	CN(CCO)C	C108010
FP4_293	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
FP4_293	CN(C)N	C57147
FP4_293	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
FP4_293	C=CCc1ccc(cc1)OC	C140670
FP4_293	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
FP4_293	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
FP4_293	CC1(C)OC2(C)CCC1CC2	C470826
FP4_293	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
FP4_293	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
FP4_293	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
FP4_293	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
FP4_293	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
FP4_293	OC(CO)CCl	C96242
FP4_293	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_293	c1cccc2[nH]ccc12	C120729
FP4_293	O=C(Nc1ccccc1)OC(C)C	C122429
FP4_293	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
FP4_293	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
FP4_293	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
FP4_293	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
FP4_293	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
FP4_293	COc1ccc(cc1)O	C150765
FP4_293	NC(=O)OC	C598550
FP4_293	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
FP4_293	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
FP4_293	OC(=O)Cc1c2c(ccc1)cccc2	C86873
FP4_293	NC(=O)c1cccnc1	C98920
FP4_293	OC(=O)c1cccnc1	C59676
FP4_293	O=[N+](CC)[O-]	C79243
FP4_293	CN(C(=O)N)N=O	C684935
FP4_293	CN(N=O)C	C62759
FP4_293	N(c1ccc(cc1)N=O)c1ccccc1	C156105
FP4_293	O=NN1CCCC1	C930552
FP4_293	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_293	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
FP4_293	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
FP4_293	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
FP4_293	Nc1ccc(cc1)N	C106503
FP4_293	Oc1ccc(cc1)c1ccccc1	C92693
FP4_293	O=C(N(CCCC)CC)SCCC	C1114712
FP4_293	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_293	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_293	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_293	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
FP4_293	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
FP4_293	c12c(C(=O)NS1(=O)=O)cccc2	C81072
FP4_293	NC(=S)N	C62566
FP4_293	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
FP4_293	Nc1ccccc1C.Cl	C636215
FP4_293	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
FP4_293	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
FP4_293	O=P(OC)(OC)OC	C512561
FP4_293	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
FP4_293	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
FP4_293	O=CCc1ccccc1	C122781
FP4_293	O=C(O)/C=C\C(=O)O	C110167
FP4_293	OC(=O)/C=C/C(=O)O	C110178
FP4_293	OCCOCCOCCOCCCC	C143226
FP4_293	CCCCCCCCCC=O	C112312
FP4_293	CCCCCCCCCCCC(=O)O	C143077
FP4_293	O=CCCCCCC	C111717
FP4_293	OC(=O)CCCCCCCCCCCCCCC	C57103
FP4_293	CCCCCCCCC=O	C124196
FP4_293	O=C(O)CCCCCCCC(=O)O	C123999
FP4_293	OC(=O)CCCC	C109524
FP4_293	O=C(O)CCCCCCCCCCCCC	C544638
FP4_293	c1(O)ccccc1C(=O)N	C65452
FP4_293	CS(=O)C	C67685
FP4_293	OCCC	C71238
FP4_293	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
FP4_293	OC(C)CN	C78966
FP4_293	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
FP4_293	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
FP4_293	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
FP4_293	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_293	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_293	O=Cc1ccccc1O	C90028
FP4_293	Oc1cccc2ccccc12	C90153
FP4_293	c1cc(N)ccc1C(=O)OCC	C94097
FP4_293	Nc1cc(Cl)c(Cl)cc1	C95761
FP4_293	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
FP4_293	ON=C1CCCCC1	C100641
FP4_293	c1ccccc1Oc1ccccc1	C101848
FP4_293	OCCN1CCNCC1	C103764
FP4_293	Nc1ccc(CCCC)cc1	C104132
FP4_293	CCOC(=O)CC(=O)OCC	C105533
FP4_293	Oc1ccc(Cl)cc1	C106489
FP4_293	CC(O)CC(C)(C)O	C107415
FP4_293	CCCC(=O)C	C107879
FP4_293	C1CCCCC1O	C108930
FP4_293	N#CCC#N	C109773
FP4_293	CCCCCC(=O)C	C110430
FP4_293	C(O)C#CCO	C110656
FP4_293	CCNCCO	C110736
FP4_293	CCCCCCO	C111273
FP4_293	CCCCCCCO	C111706
FP4_293	CCCCCCCCCC(=O)C	C112129
FP4_293	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
FP4_293	Oc1c(Br)cc(Br)cc1Br	C118796
FP4_293	O=Cc1cc(OCC)c(O)cc1	C121324
FP4_293	Oc1ccc(CC)cc1	C123079
FP4_293	CCCCCC(=O)OCC	C123660
FP4_293	CCCCCCCCCCCCN	C124221
FP4_293	NCCN1CCNCC1	C140318
FP4_293	CCCCCCCCCO	C143088
FP4_293	COc1ccc(OC)cc1	C150787
FP4_293	n1c(C(=O)O)cccc1C(=O)O	C499832
FP4_293	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
FP4_293	O=C(OC(C)(C)C)C	C540885
FP4_293	Oc1ccc(CCC)cc1	C645567
FP4_293	CCCCCCC1OC(=O)CC1	C706149
FP4_293	C=CC(=O)OCCO	C818611
FP4_293	CC/C=C\CCO	C928961
FP4_293	CCCCCCCCCCN	C2016571
FP4_293	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
FP4_293	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
FP4_293	Nc1ccc(OCCCCCC)cc1	C39905572
FP4_293	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
FP4_293	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
FP4_293	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
FP4_293	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
FP4_293	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
FP4_293	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
FP4_293	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
FP4_293	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
FP4_293	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
FP4_293	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
FP4_293	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
FP4_293	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
FP4_293	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
FP4_293	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
FP4_293	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
FP4_293	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
FP4_293	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
FP4_293	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
FP4_293	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
FP4_293	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
FP4_293	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
FP4_293	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
FP4_293	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
FP4_293	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
FP4_293	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
FP4_293	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
FP4_293	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
FP4_293	c1(c(CC)cccc1)O	C90006
FP4_293	c1c(O)cccc1CC	C620177
FP4_293	C(=O)(/C=C/c1ccccc1)O	C140103
FP4_293	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
FP4_293	c1(c(ccc(c1)Cl)O)C	C1570645
FP4_293	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
FP4_293	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
FP4_293	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
FP4_293	C(=O)(c1ccc(cc1)O)OCC	C120478
FP4_293	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
FP4_293	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
FP4_293	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
FP4_293	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
FP4_293	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
FP4_293	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
FP4_293	c1cccc(OC)c1O	C90051
FP4_293	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
FP4_293	C(=O)(O)C(C)O	C50215
FP4_293	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
FP4_293	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
FP4_293	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
FP4_293	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_293	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
FP4_293	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
FP4_293	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP4_293	c1(C(C)C)cccc(C(C)C)c1O	C2078548
FP4_293	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
FP4_293	C(=O)(O)CCC(=O)O	C110156
FP4_293	NC(CO)(CO)CO	C77861
FP4_293	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
FP4_293	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
FP4_293	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
FP4_293	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_293	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
FP4_293	CNC	C124403
FP4_293	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
FP4_293	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
FP4_293	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
FP4_293	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
FP4_293	CC(=C)C#N	C126987
FP4_293	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
FP4_293	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
FP4_293	Cc1cc(O)ccc1	C108394
FP4_293	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
FP4_293	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
FP4_293	CC(O)COC	C107982
FP4_293	[Na+].[O-]C(=O)CF	C62748
FP4_293	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
FP4_293	O=C(N)N=NC(=O)N	C123773
FP4_293	c1ccc2ncsc2c1	C95169
FP4_293	O=C(OCc1ccccc1)c1ccccc1O	C118581
FP4_293	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
FP4_293	ON=CCCC	C110690
FP4_293	OCCCCO	C110634
FP4_293	O=C(OCCCC)C=C	C141322
FP4_293	C(C)(C)(C)N	C75649
FP4_293	C(OCCCC)C1CO1	C2426086
FP4_293	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
FP4_293	O=C/C=C/c1ccccc1	C14371109
FP4_293	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
FP4_293	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
FP4_293	C(C(=O)C)C(C)(C)O	C123422
FP4_293	C(CCN)CCCN	C124094
FP4_293	N#CC(Br)(CCC#N)CBr	C35691657
FP4_293	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
FP4_293	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
FP4_293	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_293	Oc1cc(Cl)ccc1Cl	C583788
FP4_293	N(C1CCCCC1)C1CCCCC1	C101837
FP4_293	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
FP4_293	N(CCN)CCN	C111400
FP4_293	O=C(CC(C)C)CC(C)C	C108838
FP4_293	N(C)(C)c1cccc(O)c1	C99070
FP4_293	N(CCCN)(C)C	C109557
FP4_293	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_293	OCNC(=O)NCO	C140954
FP4_293	Cc1c(C)cccc1O	C526750
FP4_293	Cc1cc(C)cc(O)c1	C108689
FP4_293	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
FP4_293	C(CCCCCC)CCCCCS	C112550
FP4_293	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_293	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_293	O=C(OCC)c1c(N)cccc1	C87252
FP4_293	C(CC)(C=O)CCCC	C123057
FP4_293	OCC(C(O)CCC)CC	C94962
FP4_293	CCC(=CCCC)C=O	C645625
FP4_293	O=C(OCC(CCCC)CC)C=C	C103117
FP4_293	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
FP4_293	c1c(CO)occ1	C98000
FP4_293	O=CCCCC=O	C111308
FP4_293	C(=O)(O)CO	C79141
FP4_293	O=C(OCCCCCC)c1ccccc1	C6789884
FP4_293	C(C)(C)(O)C#N	C75865
FP4_293	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
FP4_293	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
FP4_293	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
FP4_293	O(C(C)C)C(=O)C	C108214
FP4_293	OC(C=C)(CCC=C(C)C)C	C78706
FP4_293	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
FP4_293	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
FP4_293	N#CC(CCC#N)C	C4553622
FP4_293	O=C(C)C=Cc1ccccc1	C122576
FP4_293	C1COCCN1	C110918
FP4_293	[N+](=O)([O-])c1ccccc1N	C88744
FP4_293	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
FP4_293	C(=O)(O)C(=O)O	C144627
FP4_293	c12ncccc1ccc1c2nccc1	C66717
FP4_293	O(c1ccc(N)cc1)CC	C156434
FP4_293	C(=O)(OCC)C1OC1c1ccccc1	C121391
FP4_293	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
FP4_293	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_293	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_293	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_293	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
FP4_293	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
FP4_293	O=C(O)CS	C68111
FP4_293	Cc1cccc2nn[nH]c12	C29385431
FP4_293	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_293	O=P(OCC)(OCC)OCC	C78400
FP4_293	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
FP4_293	N(C)(C)C	C75503
FP4_293	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
FP4_293	ClCCOP(OCCCl)OCCCl	C140089
FP4_293	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
FP4_293	O(C)c1cc(C=O)ccc1OC	C120149
FP4_293	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_293	OCCc1ccccc1	C60128
FP4_293	O=C(O)c1ccccc1O	C69727
FP4_293	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
FP4_293	N#CC(C)C	C78820
FP4_293	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
FP4_293	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
FP4_293	O=C1C2C(CC=CC2)C(=O)N1	C85405
FP4_293	O=C1c2c(cccc2)C(=O)N1	C85416
FP4_293	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
FP4_293	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
FP4_293	OC1CCC(C(C)(C)C)CC1	C98522
FP4_293	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
FP4_293	O=C(O)c1ccc(O)cc1	C99967
FP4_293	O=C(C)OCC(CC)CCCC	C103093
FP4_293	N1(SSN2CCOCC2)CCOCC1	C103344
FP4_293	c1(OCCOc2ccccc2)ccccc1	C104665
FP4_293	O=C1OCC(C)O1	C108327
FP4_293	Clc1nc(Cl)nc(Cl)n1	C108770
FP4_293	Sc1ccccc1	C108985
FP4_293	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
FP4_293	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
FP4_293	O=C(OC)CCCCCCCCC	C110429
FP4_293	O=C(O)CCCCCCCCC(=O)O	C111206
FP4_293	N1CCCCCC1	C111499
FP4_293	O=C(C)OCCOC(=O)C	C111557
FP4_293	O=C(C)OCCOCCCC	C112072
FP4_293	CCCCCCCCCCCCN(C)C	C112185
FP4_293	OCCOCCOCCOC	C112356
FP4_293	OCCOCCOCCOCCO	C112607
FP4_293	OCC(CO)(CO)CO	C115775
FP4_293	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
FP4_293	O=Cc1ccc(OC)cc1	C123115
FP4_293	OC(CCCCCC)C	C123966
FP4_293	OCC(N)(C)C	C124685
FP4_293	OCC(C)(C)CO	C126307
FP4_293	Oc1ccc2ccccc2c1	C135193
FP4_293	[O-]c1ccccc1.[Na+]	C139026
FP4_293	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
FP4_293	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
FP4_293	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
FP4_293	O=C1c2c(cccc2)C(=O)N1C	C550447
FP4_293	O=C1NCCC1	C616455
FP4_293	O=COC(C)C	C625558
FP4_293	OC(C)COc1ccccc1	C770354
FP4_293	NCCC[Si](OCC)(OCC)OCC	C919302
FP4_293	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
FP4_293	O=C(N)[O-].[NH4+]	C1111780
FP4_293	O=C(N(C)C)CCCCCCC	C1118929
FP4_293	Nc1cccc(C)c1C	C1300738
FP4_293	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
FP4_293	O=S(=O)(c1ccccc1O)O	C1333397
FP4_293	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
FP4_293	OCCOCCOCCOCCOCCCC	C1559348
FP4_293	Oc1cccc2c1OC(C)(C)C2	C1563388
FP4_293	OC1CCCCCCCCCCC1	C1724396
FP4_293	NCCNCCC[Si](OC)(OC)OC	C1760243
FP4_293	O=C(N(C)C)CC(=O)C	C2044646
FP4_293	NNC(=S)NN	C2231574
FP4_293	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
FP4_293	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
FP4_293	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_293	OCCOCCC	C2807309
FP4_293	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_293	O=S(=O)(c1ccccc1)NCCCC	C3622842
FP4_293	O=C(CCl)[O-].[Na+]	C3926623
FP4_293	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
FP4_293	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP4_293	O=C(CS)OCC(CC)CCCC	C7659861
FP4_293	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
FP4_293	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
FP4_293	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_293	OCc1cccc(Oc2ccccc2)c1	C13826352
FP4_293	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
FP4_293	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP4_293	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
FP4_293	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP4_293	Nc1c(C)cccc1CC	C24549062
FP4_293	OC(OCC(OC(O)CC)C)CC	C24800440
FP4_293	CC(CO)O	C25322694
FP4_293	SC(C)(C)CCCCCC	C25360105
FP4_293	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
FP4_293	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
FP4_293	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
FP4_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_293	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_293	O=C(O)C(CC)(C)CCC(C)C	C26896208
FP4_293	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
FP4_293	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
FP4_293	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
FP4_293	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
FP4_293	BrCc1cccc(Oc2ccccc2)c1	C51632167
FP4_293	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
FP4_293	C1(CO1)COCCCCCCCCCCCC	C68609972
FP4_293	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
FP4_293	O=S(=O)(c1ccc(C)cc1)N	C70553
FP4_293	OC(CCCC(C)C)(C)CC	C78693
FP4_293	OCC1OCCC1	C97994
FP4_293	O=C(c1ccc(O)cc1)C	C99934
FP4_293	CN1CCOCC1	C109024
FP4_293	O=C(OCc1ccccc1)c1ccccc1	C120514
FP4_293	O=C1CCCC1	C120923
FP4_293	CCCCCC(=Cc1ccccc1)C=O	C122407
FP4_293	OC(CC(C)CC(C)C)CC(C)C	C123171
FP4_293	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
FP4_293	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_293	[S-]C(=S)NC.[Na+]	C137428
FP4_293	O=C(C=C(C)C)C	C141797
FP4_293	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
FP4_293	OC(C)COCCC	C1569013
FP4_293	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
FP4_293	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
FP4_293	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_293	OCC(CCC)CCCCC	C10042598
FP4_293	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
FP4_293	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
FP4_293	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
FP4_293	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
FP4_293	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
FP4_293	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
FP4_293	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
FP4_293	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
FP4_293	n1c[nH]cc1	C288324
FP4_293	OC1CC(CCC1C(C)C)C	C1490046
FP4_293	N#C[S-].[NH4+]	C1762954
FP4_293	OCCC(C)CC(C)(C)C	C3452979
FP4_293	OC(OCCCC)CC	C29387868
FP4_293	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_293	O=C(C)OCCC(C)C(CC)CC	C108419336
FP4_293	Nc1cc(Cl)cc(Cl)c1	C626437
FP4_293	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_293	O=C1NC2NC(=O)NC2N1	C496468
FP4_293	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
FP4_293	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
FP4_293	Oc1cc(C)c(Cl)c(C)c1	C88040
FP4_293	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
FP4_293	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
FP4_293	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
FP4_293	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
FP4_293	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
FP4_293	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
FP4_293	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
FP4_293	CCN1CN(CC)CN(CC)C1	C7779273
FP4_293	OCn1nc(C)cc1C	C85264331
FP4_293	OCCSCCCCCCCC	C3547339
FP4_293	Clc1c(Cl)ssc1=O	C1192525
FP4_293	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
FP4_293	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
FP4_293	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
FP4_293	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
FP4_293	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
FP4_293	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
FP4_293	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
FP4_293	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
FP4_293	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
FP4_293	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
FP4_293	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
FP4_293	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
FP4_293	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
FP4_293	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
FP4_293	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
FP4_293	OC1CCCC1	C96413
FP4_293	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_293	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
FP4_293	CCCCCCCCCc1ccc(O)cc1	C104405
FP4_293	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
FP4_293	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_293	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
FP4_293	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
FP4_293	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
FP4_293	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
FP4_293	O=C1OC(CCCCC)CC1	C104610
FP4_293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
FP4_293	O=C(COc1ccc(Cl)cc1)O	C122883
FP4_293	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_293	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
FP4_293	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
FP4_293	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_293	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_293	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_293	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
FP4_293	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
FP4_293	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
FP4_293	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_293	O=C(CBr)c1ccc(O)cc1	C2491385
FP4_293	O=C(Cc1cccc2c1cccc2)OCC	C2122705
FP4_293	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
FP4_293	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
FP4_293	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
FP4_293	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_293	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
FP4_293	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
FP4_293	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
FP4_293	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
FP4_293	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_293	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
FP4_293	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
FP4_293	OC(CCCCC)C=C	C3391864
FP4_293	OCCCCCCC/C=C/C=C/C	C33956499
FP4_293	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_293	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_293	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_293	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_293	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
FP4_293	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
FP4_293	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_293	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_293	CC(=CCCC(=CC#N)C)C	C5146667
FP4_293	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
FP4_293	O=C1N(CCCCCCCC)CCC1	C2687947
FP4_293	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_293	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
FP4_293	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
FP4_293	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
FP4_293	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_293	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
FP4_293	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
FP4_293	Clc1nc(N)nc(NC(C)C)n1	C6190654
FP4_293	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
FP4_293	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
FP4_293	O=C(N(C)C)Nc1ccccc1	C101428
FP4_293	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
FP4_293	Oc1ccc(CCCCCCC)cc1	C1987504
FP4_293	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
FP4_293	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
FP4_293	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
FP4_293	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
FP4_293	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
FP4_293	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_293	O=C(O)C1CCC(C(=O)O)CC1	C1076977
FP4_293	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
FP4_293	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
FP4_293	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_293	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
FP4_293	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_293	O=C(O)c1ccccc1OCCCCCC	C6259763
FP4_293	O=C(CC)OCC	C105373
FP4_293	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
FP4_293	O=C(c1ccccc1O)C	C118934
FP4_293	O=C1OCC(CC)O1	C4437858
FP4_293	O=C(CBr)OCc1ccccc1	C5437456
FP4_293	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_293	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
FP4_293	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
FP4_293	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
FP4_293	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
FP4_293	CO[Si](OC)(OC)c1ccccc1	C2996921
FP4_293	Nc1ccc(CCCCC)cc1	C33228443
FP4_293	Nc1ccc(CCCCCC)cc1	C33228454
FP4_293	O=C(OCC)c1c(C)cccc1	C87241
FP4_293	OC1CCC(C(CC)(C)C)CC1	C5349519
FP4_293	O=C1CCC(C2CCCCC2)CC1	C92682
FP4_293	OC1CCC(C2CCCCC2)CC1	C2433149
FP4_293	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
FP4_293	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
FP4_293	OC(C)(C)C1CC=C(C)CC1	C8000417
FP4_293	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
FP4_293	OCc1cnc(C)c(O)c1CO.Cl	C58560
FP4_293	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP4_293	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_293	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_293	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
FP4_293	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
FP4_293	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
FP4_293	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
FP4_293	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
FP4_293	OCC(CCCCCC)CCCCCCCC	C2425776
FP4_293	CC(O)COCC	C1569024
FP4_293	O=C(C)OCCC(C)CC(C)(C)C	C58430947
FP4_293	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
FP4_293	O=C1C=CC(=O)N1c1ccccc1	C941695
FP4_293	OCC(O)COC(=O)CCCCCCCCCCC	C142187
FP4_293	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_293	Oc1ccccc1CN(C)C	C120650
FP4_293	O=C1CCC(O1)CC	C695067
FP4_293	O=C1OC(CCCCCC)(C)CC1	C7011838
FP4_293	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
FP4_293	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
FP4_293	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
FP4_293	O=C(OCC)/C=C/C=C\CCCCC	C3025307
FP4_293	O=C1NC(=O)C(N1)(CC)C	C5394365
FP4_293	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
FP4_293	O=C(C)c1cc2ccccc2cc1	C93083
FP4_293	O=C(Nc1ccccc1)CCl	C587655
FP4_293	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
FP4_293	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
FP4_293	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
FP4_293	OC(CCCC(C)C)(C)C	C13254347
FP4_293	O=C/C=C/CCC	C6728263
FP4_293	O1C=CCCC1	C110872
FP4_293	O=C(CC(C)C)OCC(C)CC	C2445774
FP4_293	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_293	OC(CC(C)C)(C)C#C	C107540
FP4_293	O=C(C)OCC/C=C\CC	C3681718
FP4_293	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
FP4_293	OCC=Cc1ccccc1	C104541
FP4_293	O=C(N)Nc1ccc(Cl)cc1	C140385
FP4_293	O=CCC/C=C\CCCCC	C21662099
FP4_293	O=c1ccoc(CC)c1O	C4940118
FP4_293	NCCCN1CCOCC1	C123002
FP4_293	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_293	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
FP4_293	OCC[C@@H](C)CCC=C(C)C	C7540514
FP4_293	OC(CCCC(C)C=C)(C)C	C53219219
FP4_293	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
FP4_293	O=C(CCC)OCCCCC	C540181
FP4_293	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
FP4_293	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
FP4_293	O=C(C)OC(C)c1ccccc1	C93925
FP4_293	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_293	O=S(=O)(c1cc(C)ccc1C)O	C609541
FP4_293	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_293	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_293	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
FP4_293	N#Cc1c(O)cccc1	C611201
FP4_293	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
FP4_293	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
FP4_293	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
FP4_293	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_293	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_293	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_293	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_293	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_293	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_293	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_293	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_293	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
FP4_293	OC1CC(C)(C)CC(C)C1	C116029
FP4_293	O=C1C(C(CC)C)CCCC1	C14765301
FP4_293	OP(OCC)OCC	C762049
FP4_293	O=C(C)OC(C)(C)Cc1ccccc1	C151053
FP4_293	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
FP4_293	OCCOCC(CC)CCCC	C1559359
FP4_293	O=C(CC)CCCCC	C106683
FP4_293	OCCN(CC)CCO	C139877
FP4_293	CCOC(OCC)OCC	C122510
FP4_293	CCO[Si](OCC)(OCC)CC	C78079
FP4_293	OC1C2(C)CCC(C1(C)C)C2	C1632731
FP4_293	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
FP4_293	O=C(CF)O	C144490
FP4_293	O=C(CCCCCCC)OCC(O)CO	C26402266
FP4_293	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
FP4_293	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
FP4_293	O=C(CCC)OCCCCCCC	C5870939
FP4_293	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
FP4_293	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
FP4_293	Oc1cc(C(C)C)ccc1C	C499752
FP4_293	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
FP4_293	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
FP4_293	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
FP4_293	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
FP4_293	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_293	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
FP4_293	CCCCCCCCCCCCN1CCOCC1	C1541817
FP4_293	CC(C)N(C(C)C)c1ccccc1	C4107986
FP4_293	S=C(NC)NC	C534134
FP4_293	OC(C)C(=O)OCCCC	C138227
FP4_293	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
FP4_293	OC(C)(C)CCCC(C)CC=O	C107755
FP4_293	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
FP4_293	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
FP4_293	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
FP4_293	Oc1c(OCC)cccc1	C94713
FP4_293	Oc1ccc(C(C)C)cc1	C99898
FP4_293	COc1ccc(CCC)cc1	C104450
FP4_293	O[C@@H](C)C(=O)OCCCC	C34451199
FP4_293	c1(CCCc2ccccc2)ccccn1	C2110181
FP4_293	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_293	CO[Si](C)(C)OC	C1112396
FP4_293	CCCO[Si](OCCC)(OCCC)OCCC	C682019
FP4_293	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_293	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_293	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_293	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_293	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_293	OC(CO)c1ccccc1	C93561
FP4_293	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
FP4_293	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
FP4_293	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
FP4_293	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
FP4_293	CCO[Si](OCC)(C)OCC	C2031676
FP4_293	CCO[Si](CCCCC)(OCC)OCC	C2761242
FP4_293	CO[Si](OC)(CCC)OC	C1067250
FP4_293	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
FP4_293	O=C(N)Nc1ccccc1	C64108
FP4_293	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
FP4_293	O=C(C)OCCCCCCCC	C112141
FP4_293	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_293	NNC(=S)NC	C6610293
FP4_293	Oc1c(C(C)C)cccc1	C88697
FP4_293	O=C1CCC(C(C)(C)C)CC1	C98533
FP4_293	O=C(c1ccccc1)Cc1ccccc1	C451401
FP4_293	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
FP4_293	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_293	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_293	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
FP4_293	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_293	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_293	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_293	NCCN.I.I	C5700492
FP4_293	Oc1cc(C(C)C)ccc1	C618451
FP4_293	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
FP4_293	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_293	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_293	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_293	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_293	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_293	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
FP4_293	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
FP4_293	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
FP4_293	OCC(CCCC)CCCCCC	C3913028
FP4_293	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_293	Oc1cc(C(C)(C)C)ccc1	C585342
FP4_293	O=C(CCCCCCCCC=C)OCC	C692864
FP4_293	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
FP4_293	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
FP4_293	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_293	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
FP4_293	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_293	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_293	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_293	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
FP4_293	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_293	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
FP4_293	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_293	O=C1CCC(C(CC)(C)C)CC1	C16587716
FP4_293	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
FP4_293	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
FP4_293	O=C(c1ccccc1)OCCC(C)C	C94462
FP4_293	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
FP4_293	Oc1ccc(CCCC)cc1	C1638228
FP4_293	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_293	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
FP4_293	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_293	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
FP4_293	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_293	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
FP4_293	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
FP4_293	O=C(OCCc1ccccc1)c1ccccc1	C94473
FP4_293	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_293	OCCOCC(C)OCCO	C9003116
FP4_293	O=C1OC(CCC)CC1	C105215
FP4_293	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
FP4_293	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
FP4_293	c12ccccc1c1c(cccc1)s2	C132650
FP4_293	C=O	C50000
FP4_293	O=C(c1ccccc1)c1ccccc1O	C117997
FP4_293	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
FP4_293	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
FP4_293	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_293	Nc1ccc(CCC)cc1	C2696846
FP4_293	Nc1ccc(C(C)(C)C)cc1	C769926
FP4_293	O=C(C1CCCCC1)c1ccccc1	C712505
FP4_293	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
FP4_293	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
FP4_293	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
FP4_293	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
FP4_293	CC(C1CCC(CC1)OC)(CC)C	C199584388
FP4_293	Sc1ccc(C)cc1	C106456
FP4_293	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
FP4_293	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
FP4_293	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
FP4_293	O=C(CCCCCC)c1ccccc1	C1671756
FP4_293	Oc1ccc(OCCCCCC)cc1	C18979550
FP4_293	Sc1ccc(C(C)(C)C)cc1	C2396681
FP4_293	O=C1CCC(CCC)CC1	C40649363
FP4_293	Nc1ccc(cc1)OCCCC	C4344552
FP4_293	O=C(O)c1c(C)cc(C)cc1C	C480637
FP4_293	O=C(c1ccccc1)C1CCC1	C5407987
FP4_293	O=C(c1ccccc1)C(C)C	C611701
FP4_293	O=C(c1ccc(Cl)cc1)CC	C6285058
FP4_293	OC1CCC(CCCC)CC1	C70568604
FP4_293	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
FP4_293	O=C(OC)c1c(C)cccc1	C89714
FP4_293	O=C(c1ccccc1)C(C)(C)C	C938169
FP4_293	O=C(Oc1ccccc1)c1ccccc1	C93992
FP4_293	O=C(OCC)c1ccc(C)cc1	C94086
FP4_293	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_293	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
FP4_293	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
FP4_293	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
FP4_293	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
FP4_293	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
FP4_293	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
FP4_293	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
FP4_293	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
FP4_293	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
FP4_293	O=C(CCC(=O)O)NN(C)C	C1596845
FP4_293	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
FP4_293	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
FP4_293	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_293	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
FP4_293	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
FP4_293	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
FP4_293	O=P(OC=C(Cl)Cl)(OC)OC	C62737
FP4_293	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
FP4_293	S=P(SCC(=O)NC)(OC)OC	C60515
FP4_293	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
FP4_293	S=C1NCCN1	C96457
FP4_293	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
FP4_293	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
FP4_293	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
FP4_293	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
FP4_293	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
FP4_293	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
FP4_293	O=c1ccc(=O)[nH][nH]1	C123331
FP4_293	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_293	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
FP4_293	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_293	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
FP4_293	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_293	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_293	Oc1c(cccc1)c1ccccc1	C90437
FP4_293	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
FP4_293	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
FP4_293	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
FP4_293	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
FP4_293	Clc1nc(nc(n1)NCC)NCC	C122349
FP4_293	S=C(N(C)C)SSC(=S)N(C)C	C137268
FP4_293	[nH]1c(nc2c1cccc2)c1cscn1	C148798
FP4_293	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
FP4_293	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
FP4_293	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_293	CC(C)Oc1ccccc1OC(=O)NC	C114261
FP4_293	c1ccccc1Nc1ccccc1	C122394
FP4_293	c1ccccc1OCCO	C122996
FP4_293	CCN(CC)C(=O)c1cccc(C)c1	C134623
FP4_293	CCOP(=S)(OCC)SCCSCC	C298044
FP4_293	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
FP4_293	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
FP4_293	c1c(Br)c(O)c(Br)cc1C#N	C1689845
FP4_293	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
FP4_293	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
FP4_293	CSC(=NOC(=O)NC)C	C16752775
FP4_293	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
FP4_293	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
FP4_293	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
FP4_293	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
FP4_293	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
FP4_293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
FP4_293	O=C(C)NP(=O)(OC)SC	C30560191
FP4_293	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
FP4_293	CSc1nc(NCC)nc(NC(C)C)n1	C834128
FP4_293	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
FP4_293	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
FP4_293	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
FP4_293	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
FP4_293	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
FP4_293	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
FP4_293	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_293	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
FP4_293	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
FP4_293	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
FP4_293	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
FP4_293	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
FP4_293	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
FP4_293	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
FP4_293	Nc1nc(N)nc(NC2CC2)n1	C66215278
FP4_293	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
FP4_293	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
FP4_293	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
FP4_293	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_293	CCCN(CCC)C(=O)SCC	C759944
FP4_293	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
FP4_293	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
FP4_293	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
FP4_293	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
FP4_293	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
FP4_293	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
FP4_293	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
FP4_293	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_293	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_293	CCCCSP(=O)(SCCCC)SCCCC	C78488
FP4_293	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
FP4_293	NP(=O)(OC)SC	C10265926
FP4_293	OCCOC	C109864
FP4_293	O=C(O)COc1c(C)cc(Cl)cc1	C94746
FP4_293	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
FP4_293	O=C(SCC)N1CCCCCC1	C2212671
FP4_293	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
FP4_293	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
FP4_293	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
FP4_293	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
FP4_293	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
FP4_293	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_293	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
FP4_293	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_293	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
FP4_293	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_293	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
FP4_293	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
FP4_293	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
FP4_293	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
FP4_293	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
FP4_293	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
FP4_293	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
FP4_293	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
FP4_293	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
FP4_293	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
FP4_293	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
FP4_293	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
FP4_293	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
FP4_293	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
FP4_293	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
FP4_293	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
FP4_293	CN1CN(C)CSC1=S	C533744
FP4_293	C(SC#N)SC#N	C6317186
FP4_293	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
FP4_293	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
FP4_293	S=C=NC	C556616
FP4_293	O=C(NCCCC)OCC#CI	C55406536
FP4_293	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
FP4_293	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
FP4_293	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
FP4_293	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
FP4_293	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
FP4_293	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_293	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
FP4_293	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
FP4_293	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
FP4_293	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
FP4_293	O=C(N(CC)C1CCCCC1)SCC	C1134232
FP4_293	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
FP4_293	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
FP4_293	N#Cc1c(Cl)cccc1Cl	C1194656
FP4_293	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
FP4_293	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
FP4_293	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
FP4_293	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_293	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
FP4_293	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
FP4_293	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
FP4_293	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
FP4_293	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
FP4_293	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_293	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_293	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
FP4_293	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
FP4_293	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
FP4_293	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
FP4_293	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
FP4_293	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
FP4_293	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
FP4_293	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
FP4_293	O=C(SC)c1cccc2c1snn2	C135158542
FP4_293	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
FP4_293	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
FP4_293	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
FP4_293	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
FP4_293	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
FP4_293	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
FP4_293	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
FP4_293	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
FP4_293	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_293	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
FP4_293	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_293	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
FP4_293	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
FP4_293	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
FP4_293	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
FP4_293	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
FP4_293	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
FP4_293	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
FP4_293	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
FP4_293	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
FP4_293	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
FP4_293	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
FP4_293	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
FP4_293	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
FP4_293	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
FP4_293	O=P(SCCC)(OCC)SCCC	C13194484
FP4_293	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_293	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
FP4_293	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
FP4_293	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
FP4_293	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
FP4_293	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
FP4_293	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
FP4_293	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
FP4_293	N#CSCSc1nc2ccccc2s1	C21564170
FP4_293	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
FP4_293	O=C(Nc1ccccc1)Nc1cnns1	C51707552
FP4_293	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
FP4_293	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
FP4_293	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_293	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
FP4_293	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
FP4_293	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_293	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
FP4_293	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
FP4_293	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
FP4_293	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
FP4_293	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
FP4_293	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
FP4_293	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
FP4_293	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
FP4_293	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
FP4_293	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
FP4_293	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
FP4_293	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
FP4_293	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
FP4_293	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
FP4_293	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_293	N#CN	C420042
FP4_293	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
FP4_293	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
FP4_293	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
FP4_293	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
FP4_293	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_293	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
FP4_293	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
FP4_293	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
FP4_293	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
FP4_293	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
FP4_293	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
FP4_293	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
FP4_293	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
FP4_293	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
FP4_293	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
FP4_293	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
FP4_293	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
FP4_293	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
FP4_293	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_293	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
FP4_293	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_293	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
FP4_293	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
FP4_293	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
FP4_293	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
FP4_293	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
FP4_293	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
FP4_293	O=C(NCCCN(C)C)OCCC.Cl	C25606411
FP4_293	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
FP4_293	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_293	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
FP4_293	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
FP4_293	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
FP4_293	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
FP4_293	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
FP4_293	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
FP4_293	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
FP4_293	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
FP4_293	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
FP4_293	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_293	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
FP4_293	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
FP4_293	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
FP4_293	Clc1nc(NCC)nc(N)n1	C1007289
FP4_293	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
FP4_293	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
FP4_293	CC(C=NOC(=O)NC)(SC)C	C116063
FP4_293	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
FP4_293	O=C(OC)c1ccccc1C(=O)O	C4376185
FP4_293	O=C(OCCCC)c1ccccc1C(=O)O	C131704
FP4_293	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_293	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_293	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_293	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
FP4_293	c1(ccc(cc1)O)NC(=O)C	C103902
FP4_293	NC(=O)C=C	C79061
FP4_293	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
FP4_293	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
FP4_293	C/C=C/c1ccc(cc1)OC	C4180238
FP4_293	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_293	OC(=O)c1c(cccc1)OC(=O)C	C50782
FP4_293	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_293	c1(N=Nc2ccccc2)ccccc1	C103333
FP4_293	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_293	Nc1ccc(c2ccc(N)cc2)cc1	C92875
FP4_293	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_293	c1coc2c1cccc2	C271896
FP4_293	OC(=O)c1ccccc1	C65850
FP4_293	OCc1ccccc1	C100516
FP4_293	OCC(CO)(CBr)CBr	C3296900
FP4_293	ClCCOCCCl	C111444
FP4_293	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_293	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
FP4_293	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_293	CC(C)(C)c1cc(O)ccc1O	C1948330
FP4_293	C(c1ccc(O)cc1)(C)(C)C	C98544
FP4_293	O=C1CCCO1	C96480
FP4_293	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
FP4_293	O=C1CCCCCN1	C105602
FP4_293	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
FP4_293	Oc1c(cccc1)O	C120809
FP4_293	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
FP4_293	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
FP4_293	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_293	Nc1c(ccc(c1)Cl)N	C95830
FP4_293	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
FP4_293	O=C(c1ccccc1)CCl	C532274
FP4_293	Nc1ccc(cc1)Cl	C106478
FP4_293	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
FP4_293	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
FP4_293	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
FP4_293	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
FP4_293	O=c1oc2c(cccc2)cc1	C91645
FP4_293	Nc1cc(ccc1OC)C	C120718
FP4_293	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
FP4_293	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
FP4_293	Nc1c(ccc(c1)N)C	C95807
FP4_293	OC(=O)C(Cl)Cl	C79436
FP4_293	Clc1c(ccc(c1)Cl)O	C120832
FP4_293	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
FP4_293	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
FP4_293	OCCOCCO	C111466
FP4_293	CC1CC(OC(O1)C)OC(=O)C	C828002
FP4_293	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
FP4_293	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
FP4_293	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
FP4_293	CN(c1ccccc1)C	C121697
FP4_293	O=C(N(C)C)Cl	C79447
FP4_293	CN(C=O)C	C68122
FP4_293	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_293	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_293	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_293	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
FP4_293	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
FP4_293	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
FP4_293	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_293	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
FP4_293	C(CO)O	C107211
FP4_293	O1C2C1CCC(C2)C1CO1	C106876
FP4_293	CCC(CCCC)CO	C104767
FP4_293	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
FP4_293	Oc1c(cc(cc1)CC=C)OC	C97530
FP4_293	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
FP4_293	O=c1c(c[nH]c(=O)[nH]1)F	C51218
FP4_293	O=Cc1ccco1	C98011
FP4_293	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_293	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
FP4_293	OCC(O)CO	C56815
FP4_293	OCC1CO1	C556525
FP4_293	C1N2CN3CN(C2)CN1C3	C100970
FP4_293	Oc1c(ccc(c1)O)CCCCCC	C136776
FP4_293	N(c1ccccc1)Nc1ccccc1	C122667
FP4_293	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
FP4_293	Oc1ccc(cc1)O	C123319
FP4_293	Oc1cccc2cccnc12	C148243
FP4_293	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
FP4_293	O=C(c1ccncc1)NN	C54853
FP4_293	CC1(CC(=CC(=O)C1)C)C	C78591
FP4_293	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
FP4_293	Sc1nc2c(cccc2)s1	C149304
FP4_293	[nH]1c(=S)n(cc1)C	C60560
FP4_293	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
FP4_293	CS(=O)(=O)OC	C66273
FP4_293	O=C1N(CCC1)C	C872504
FP4_293	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
FP4_293	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
FP4_293	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
FP4_293	Cc1cc2cccnc2cc1	C91623
FP4_293	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
FP4_293	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
FP4_293	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
FP4_293	Nc1c2c(ccc1)c(ccc2)N	C2243621
FP4_293	Nc1cc2c(cccc2)cc1	C91598
FP4_293	CN1CCC[C@H]1c1cnccc1	C54115
FP4_293	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
FP4_293	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_293	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_293	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_293	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_293	O=[N+](c1ccccc1)[O-]	C98953
FP4_293	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_293	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_293	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_293	O=NN(CCCC)CCCC	C924163
FP4_293	CCN(CC)N=O	C55185
FP4_293	O=NN(c1ccccc1)c1ccccc1	C86306
FP4_293	O=NN(CCC)CCC	C621647
FP4_293	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
FP4_293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
FP4_293	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
FP4_293	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_293	Oc1ccccc1	C108952
FP4_293	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
FP4_293	N1c2c(cccc2)Sc2ccccc12	C92842
FP4_293	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
FP4_293	Nc1cc(ccc1)N	C108452
FP4_293	CC(=O)O[Hg]c1ccccc1	C62384
FP4_293	C1CNCCN1	C110850
FP4_293	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
FP4_293	O=S1(=O)CCCO1	C1120714
FP4_293	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
FP4_293	CC(CO)O	C57556
FP4_293	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
FP4_293	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
FP4_293	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
FP4_293	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
FP4_293	Oc1cc(ccc1)O	C108463
FP4_293	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
FP4_293	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
FP4_293	C=CCc1ccc2c(c1)OCO2	C94597
FP4_293	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
FP4_293	OC(=O)C=CC=CC	C110441
FP4_293	C1C(c2ccccc2)O1	C96093
FP4_293	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
FP4_293	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
FP4_293	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
FP4_293	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
FP4_293	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
FP4_293	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
FP4_293	ClC(C(=O)O)(Cl)Cl	C76039
FP4_293	Oc1c(cc(cc1Cl)Cl)Cl	C88062
FP4_293	OCCN(CCO)CCO	C102716
FP4_293	OCCOCCOCCO	C112276
FP4_293	O=P(OCCCl)(OCCCl)OCCCl	C115968
FP4_293	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
FP4_293	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
FP4_293	C(=O)(N)N	C57136
FP4_293	NC(=O)OCC	C51796
FP4_293	O=C1N(C=C)CCC1	C88120
FP4_293	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_293	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_293	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_293	OC(=O)c1cc(C(=O)O)ccc1	C121915
FP4_293	OC(=O)CCC	C107926
FP4_293	CCCCOCCOCCO	C112345
FP4_293	Oc1ccccc1Cl	C95578
FP4_293	CCCCCCCCCC(=O)O	C334485
FP4_293	CC(Cl)(Cl)C(=O)O	C75990
FP4_293	O=C(O)CCCCCC	C111148
FP4_293	OC(=O)CCCCC(=O)O	C124049
FP4_293	CCCCCC(=O)O	C142621
FP4_293	CCCCCCCCC(=O)O	C112050
FP4_293	CCCCCCCCCCCCCCCCCC(=O)O	C57114
FP4_293	CCCCCCCC=O	C124130
FP4_293	CCCCCCCC(=O)O	C124072
FP4_293	CCCCC=O	C110623
FP4_293	Oc1cc(C)c(Cl)cc1	C59507
FP4_293	CC1(C)NC(=O)NC1=O	C77714
FP4_293	C(c1ccc(cc1)O)(CC)(C)C	C80466
FP4_293	CCOC(=O)c1ccccc1C(=O)OCC	C84662
FP4_293	n1cccc2c1cccc2	C91225
FP4_293	CCN(CC)c1ccccc1	C91667
FP4_293	Oc1c(C)cccc1	C95487
FP4_293	CCC(=NO)C	C96297
FP4_293	c1ccccc1C(=O)C	C98862
FP4_293	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_293	CN(C)c1ccc(C)cc1	C99978
FP4_293	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_293	CCN(CCO)CC	C100378
FP4_293	CCNc1cc(C)ccc1	C102272
FP4_293	Oc1c(C)cc(C)cc1	C105679
FP4_293	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
FP4_293	Oc1ccc(C)cc1	C106445
FP4_293	Nc1ccc(C)cc1	C106490
FP4_293	ClCCO	C107073
FP4_293	CC(=O)OCCOCC	C111159
FP4_293	OCCNCCO	C111422
FP4_293	N#CCCCCC#N	C111693
FP4_293	CCCCCCCCO	C111875
FP4_293	CCOCCOCCO	C111900
FP4_293	CCCCCCCCCCO	C112301
FP4_293	CCCCCCCCCCCCCO	C112709
FP4_293	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
FP4_293	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
FP4_293	c1ccccc1C(=O)c1ccccc1	C119619
FP4_293	c1(C=O)cc(OC)c(O)cc1	C121335
FP4_293	CCCCOP(=O)(OCCCC)OCCCC	C126738
FP4_293	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_293	c1cccc2c3ccccc3oc12	C132649
FP4_293	OCCN	C141435
FP4_293	Oc1c(C)cc(C)cc1C	C527606
FP4_293	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_293	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_293	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
FP4_293	Oc1c(C)c(C)ccc1C	C2416946
FP4_293	Oc1ccc(CCCCCCCC)cc1	C1806264
FP4_293	c1(c(O)cccc1)C(CC)C	C89725
FP4_293	c1(ccc(cc1)O)C(CC)C	C99718
FP4_293	Oc1ccc(C=CC)cc1OC	C97541
FP4_293	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
FP4_293	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
FP4_293	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
FP4_293	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
FP4_293	C(=O)(c1ccc(cc1)O)OCCC	C94133
FP4_293	C(=O)(c1ccc(cc1)O)OC	C99763
FP4_293	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
FP4_293	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
FP4_293	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
FP4_293	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
FP4_293	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
FP4_293	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
FP4_293	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_293	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
FP4_293	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
FP4_293	c1(C)c(O)c(CO)c(CO)cn1	C65236
FP4_293	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
FP4_293	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
FP4_293	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
FP4_293	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
FP4_293	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
FP4_293	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
FP4_293	C(=O)(O)C(CCC)CCC	C99661
FP4_293	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
FP4_293	O=N(=O)c1ccc(C)cc1	C99990
FP4_293	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
FP4_293	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
FP4_293	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
FP4_293	Nc1c(OC)cccc1	C90040
FP4_293	Brc1ccc(Oc2ccccc2)cc1	C101553
FP4_293	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
FP4_293	NC1CCCCC1	C108918
FP4_293	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
FP4_293	O=S(=O)(OCC)OCC	C64675
FP4_293	CP(=O)(OC(C)C)OC(C)C	C1445756
FP4_293	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
FP4_293	O=S(=O)(OC)OC	C77781
FP4_293	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
FP4_293	Oc1cc(C)c(C)cc1	C95658
FP4_293	Oc1c(cccc1C)C	C576261
FP4_293	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_293	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_293	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
FP4_293	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
FP4_293	CCOCCO	C110805
FP4_293	CCCCOCCO	C111762
FP4_293	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
FP4_293	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_293	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
FP4_293	O=C=NCCCCCCN=C=O	C822060
FP4_293	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_293	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
FP4_293	Clc1c(O)cc(Cl)c(Cl)c1	C95954
FP4_293	OCCOCCOCCOCC	C112505
FP4_293	O=C(SCCC)N(CCC)CCC	C1929777
FP4_293	ON=CC(C)(C)SC	C1646759
FP4_293	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_293	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
FP4_293	O=C(O)c1ccc(N)cc1	C150130
FP4_293	Oc1c(ccc(N)c1)C	C2835952
FP4_293	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
FP4_293	O(CCOC)CCOC	C111966
FP4_293	[O-][N+](=O)C(CO)(CO)Br	C52517
FP4_293	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
FP4_293	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
FP4_293	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
FP4_293	O=CC=C(C)CCC=C(C)C	C5392405
FP4_293	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
FP4_293	O(O)C(c1ccccc1)(C)C	C80159
FP4_293	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
FP4_293	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
FP4_293	Nc1cc(C)ccc1N	C496720
FP4_293	O(OC(C)(C)C)C(C)(C)C	C110054
FP4_293	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
FP4_293	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_293	OC(CCl)CCl	C96231
FP4_293	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
FP4_293	O(CCOC)CCO	C111773
FP4_293	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
FP4_293	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
FP4_293	C(CCCC(=O)OC)C(=O)OC	C627930
FP4_293	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
FP4_293	COC(=O)CCCC(=O)OC	C1119400
FP4_293	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_293	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_293	Oc1c(ccc(C)c1)C	C95874
FP4_293	C(=O)(OC)CCC(=O)OC	C106650
FP4_293	N=C(Nc1ccccc1)Nc1ccccc1	C102067
FP4_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_293	N(c1ccccc1)CC	C103695
FP4_293	O=C(O)C(CCCC)CC	C149575
FP4_293	C(=O)(N)NO	C127071
FP4_293	C(CC(C)C)OC(=O)C	C123922
FP4_293	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
FP4_293	o1c(C)c(O)c(=O)cc1	C118718
FP4_293	O=C(OC)c1c(N)cccc1	C134203
FP4_293	O=C(NCNC(=O)C=C)C=C	C110269
FP4_293	O(C)c1cc(CC=C)ccc1OC	C93152
FP4_293	O=C(OC)c1c(O)cccc1	C119368
FP4_293	[N+](=O)([O-])c1ccccc1C	C88722
FP4_293	O=c1ccsn1CCCCCCCC	C26530201
FP4_293	Nc1c(N)cccc1	C95545
FP4_293	N(c1ccccc1)c1ccc(N)cc1	C101542
FP4_293	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_293	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_293	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
FP4_293	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
FP4_293	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
FP4_293	O=C=Nc1cc(N=C=O)ccc1C	C584849
FP4_293	Nc1c(cccc1)C	C95534
FP4_293	N(CCCC)(CCCC)CCCC	C102829
FP4_293	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
FP4_293	O=C(OCCOCCOCCOC(=O)C)C	C111217
FP4_293	C(OCCOC)COCCOC	C112492
FP4_293	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
FP4_293	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
FP4_293	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
FP4_293	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
FP4_293	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_293	Nc1c(cccc1C)C	C87627
FP4_293	Oc1c(C(C)(C)C)cccc1	C88186
FP4_293	Oc1c(C(C)(C)C)ccc(C)c1	C88608
FP4_293	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
FP4_293	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
FP4_293	N#Cc1cnccc1	C100549
FP4_293	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
FP4_293	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
FP4_293	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
FP4_293	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
FP4_293	OCCC(C)CCC=C(C)C	C106229
FP4_293	OC/C=C(\C)/CCC=C(C)C	C106241
FP4_293	OC/C=C(/C)\CCC=C(C)C	C106252
FP4_293	OCCC(O)C	C107880
FP4_293	OC(CC(C)C)C	C108112
FP4_293	Nc1cccc(C)c1	C108441
FP4_293	O=C(OC)CCCCCCC	C111115
FP4_293	O=C(OC)CCCCCCCCCCC	C111820
FP4_293	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_293	OCCOCCCCCC	C112254
FP4_293	OCCCCCCCCCCC	C112425
FP4_293	OCCCCCCCCCCCC	C112538
FP4_293	OCCCCCCCCCCCCCC	C112721
FP4_293	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
FP4_293	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
FP4_293	OCC(CO)([N+](=O)[O-])CO	C126114
FP4_293	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
FP4_293	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
FP4_293	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_293	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
FP4_293	[nH]1ncnc1	C288880
FP4_293	c1(c2ccncc2)ccncc1	C553264
FP4_293	Nc1c(CC)cccc1CC	C579668
FP4_293	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_293	O=C(C)OCCCCC	C628637
FP4_293	OCCCCCCCCCCCCCCC	C629765
FP4_293	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_293	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
FP4_293	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
FP4_293	Nc1cccc(C)c1N	C2687254
FP4_293	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
FP4_293	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
FP4_293	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
FP4_293	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
FP4_293	O=C(O)C(O)CC(=O)O	C6915157
FP4_293	OC(OC(O)CC)CC	C25265718
FP4_293	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
FP4_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
FP4_293	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
FP4_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
FP4_293	O=C(OCCCCCC(C)C)C=C	C29590429
FP4_293	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
FP4_293	OC(OCCCOC)CC	C34590948
FP4_293	OCCCCCCCCCCCCCCCC	C36653824
FP4_293	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
FP4_293	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
FP4_293	O=C(OC)CC(=O)OC	C108598
FP4_293	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
FP4_293	CCC12N(COC1)COC2	C7747355
FP4_293	OCC(C)OCC(OCC(OC)C)C	C25498491
FP4_293	O=C(N)C(=C)C	C79390
FP4_293	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
FP4_293	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
FP4_293	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
FP4_293	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
FP4_293	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
FP4_293	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
FP4_293	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
FP4_293	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
FP4_293	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
FP4_293	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_293	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
FP4_293	N#CC(Br)(C(=O)N)Br	C10222012
FP4_293	S=P(OCC)(OCC)SCSCC	C298022
FP4_293	O=Cc1ccccc1C=O	C643798
FP4_293	O=c1[nH]sc2c1cccc2	C2634335
FP4_293	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_293	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
FP4_293	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
FP4_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
FP4_293	Nn1cnnc1	C584134
FP4_293	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
FP4_293	O=c1n(C)sc(Cl)c1	C26172554
FP4_293	O=C1CCC(O1)CCCCCCC	C104676
FP4_293	Oc1cc(C)ccc1C(C)C	C89838
FP4_293	O=C(O)CCCCCCCCC=C	C112389
FP4_293	O=C1NC(=O)C(N1CO)(C)C	C116256
FP4_293	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
FP4_293	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
FP4_293	CCCCCCCCN(C)C	C7378996
FP4_293	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
FP4_293	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
FP4_293	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_293	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
FP4_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP4_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP4_293	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP4_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP4_293	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
FP4_293	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
FP4_293	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
FP4_293	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
FP4_293	O=C(OCC)CCC(=O)OCC	C123251
FP4_293	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
FP4_293	O=C(CCC)OCC	C105544
FP4_293	O=C(OCC)CCCCCC	C106309
FP4_293	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_293	O=C(OCCCC)c1ccccc1	C136607
FP4_293	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
FP4_293	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
FP4_293	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
FP4_293	Oc1ccc(cc1C(C)(C)C)OC	C121006
FP4_293	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
FP4_293	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
FP4_293	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
FP4_293	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
FP4_293	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
FP4_293	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
FP4_293	O=C(CCC)OCCC(C)C	C106274
FP4_293	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
FP4_293	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
FP4_293	CCCCCCCCN(CCCCCCCC)C	C4455269
FP4_293	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_293	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_293	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_293	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
FP4_293	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
FP4_293	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
FP4_293	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
FP4_293	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
FP4_293	CN(C)CCCN(C)CCCN(C)C	C3855321
FP4_293	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
FP4_293	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
FP4_293	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_293	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
FP4_293	O=C(C)NC	C79163
FP4_293	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
FP4_293	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
FP4_293	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_293	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
FP4_293	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
FP4_293	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
FP4_293	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
FP4_293	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_293	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
FP4_293	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
FP4_293	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
FP4_293	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
FP4_293	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
FP4_293	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
FP4_293	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
FP4_293	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
FP4_293	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
FP4_293	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_293	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
FP4_293	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
FP4_293	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
FP4_293	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
FP4_293	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
FP4_293	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
FP4_293	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
FP4_293	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
FP4_293	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
FP4_293	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
FP4_293	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
FP4_293	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
FP4_293	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
FP4_293	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
FP4_293	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
FP4_293	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_293	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_293	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
FP4_293	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
FP4_293	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
FP4_293	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
FP4_293	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
FP4_293	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
FP4_293	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
FP4_293	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
FP4_293	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
FP4_293	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
FP4_293	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
FP4_293	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
FP4_293	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
FP4_293	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
FP4_293	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
FP4_293	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
FP4_293	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
FP4_293	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
FP4_293	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
FP4_293	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
FP4_293	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
FP4_293	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
FP4_293	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
FP4_293	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
FP4_293	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
FP4_293	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
FP4_293	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
FP4_293	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
FP4_293	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
FP4_293	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
FP4_293	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_293	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
FP4_293	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_293	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
FP4_293	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
FP4_293	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_293	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_293	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
FP4_293	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
FP4_293	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
FP4_293	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
FP4_293	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
FP4_293	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
FP4_293	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
FP4_293	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
FP4_293	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
FP4_293	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
FP4_293	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
FP4_293	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
FP4_293	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
FP4_293	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
FP4_293	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
FP4_293	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
FP4_293	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
FP4_293	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
FP4_293	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
FP4_293	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
FP4_293	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
FP4_293	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
FP4_293	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
FP4_293	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
FP4_293	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
FP4_293	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_293	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
FP4_293	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
FP4_293	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
FP4_293	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
FP4_293	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
FP4_293	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
FP4_293	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_293	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
FP4_293	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
FP4_293	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
FP4_293	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
FP4_293	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
FP4_293	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
FP4_293	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
FP4_293	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_293	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
FP4_293	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
FP4_293	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
FP4_293	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
FP4_293	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
FP4_293	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
FP4_293	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
FP4_293	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
FP4_293	Oc1cc2c(cc1)Cc1ccccc21	C6344678
FP4_293	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
FP4_293	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
FP4_293	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
FP4_293	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
FP4_293	Oc1cc2c(cccc2)c2ccccc12	C484173
FP4_293	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
FP4_293	C1(CCCCC1)SSC1CCCCC1	C2550405
FP4_293	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
FP4_293	C(=O)N	C75127
FP4_293	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
FP4_293	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
FP4_293	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP4_293	OC(C(CC)CCCC)C#C	C5877429
FP4_293	N#CC(Br)Br	C3252435
FP4_293	OCCCBr	C627189
FP4_293	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_293	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
FP4_293	C(=O)(C)O	C64197
FP4_293	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_293	C(CO)C(C)C	C123513
FP4_293	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
FP4_293	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
FP4_293	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
FP4_293	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_293	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
FP4_293	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
FP4_293	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
FP4_293	NCCOCCOCCN	C929599
FP4_293	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_293	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
FP4_293	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_293	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
FP4_293	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
FP4_293	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
FP4_293	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_293	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
FP4_293	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
FP4_293	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
FP4_293	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
FP4_293	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
FP4_293	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
FP4_293	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
FP4_293	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
FP4_293	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_293	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
FP4_293	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
FP4_293	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
FP4_293	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
FP4_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
FP4_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
FP4_293	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
FP4_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
FP4_293	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
FP4_293	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
FP4_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
FP4_293	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_293	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
FP4_293	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
FP4_293	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
FP4_293	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
FP4_293	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
FP4_293	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_293	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_293	OCCC(OC)C	C2517433
FP4_293	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_293	S=C(NCCCC)NCCCC	C109466
FP4_293	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
FP4_293	O=CCC(C)CCC=C(C)C	C106230
FP4_293	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
FP4_293	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
FP4_293	O=COCC	C109944
FP4_293	O=C(OCC)c1ccccc1	C93890
FP4_293	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_293	O=CCCCCCCCCC/C=C\CCCC	C53939289
FP4_293	NCc1cccc(CN)c1	C1477550
FP4_293	O=CCCSC	C3268493
FP4_293	N(CCN(C)C)(C)C	C110189
FP4_293	CCN(CC)CC	C121448
FP4_293	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
FP4_293	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
FP4_293	CC(=O)OCC	C141786
FP4_293	CC(=O)OCCCC	C123864
FP4_293	CC(=O)CCC(C)C	C110123
FP4_293	n1cc(C)ccc1	C108996
FP4_293	CC(=O)CC(C)C	C108101
FP4_293	NCCN	C107153
FP4_293	CC(C)C=O	C78842
FP4_293	CCCCCC=O	C66251
FP4_293	CCCC=O	C123728
FP4_293	CC(CN(CC(C)O)CC(C)O)O	C122203
FP4_293	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
FP4_293	CCC1CO1	C106887
FP4_293	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
FP4_293	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_293	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_293	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_293	Nc1nc(nc(n1)N)c1ccccc1	C91769
FP4_293	CC1CC(=O)O1	C3068880
FP4_293	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
FP4_293	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
FP4_293	Clc1ccc(N)cc1.Cl	C20265967
FP4_293	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
FP4_293	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
FP4_293	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
FP4_293	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
FP4_293	O=C(/C=C\C(=O)OCC)OCC	C141059
FP4_293	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
FP4_293	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
FP4_293	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
FP4_293	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_293	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
FP4_293	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_293	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_293	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_293	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_293	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
FP4_293	NNc1ccccc1.Cl	C59881
FP4_293	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
FP4_293	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
FP4_293	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
FP4_293	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
FP4_293	S=C(N(C)C)SC(=S)N(C)C	C97745
FP4_293	S=P(N1CC1)(N1CC1)N1CC1	C52244
FP4_293	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
FP4_293	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
FP4_293	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
FP4_293	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
FP4_293	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
FP4_293	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
FP4_293	N#Cc1ccccc1	C100470
FP4_293	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_293	O=C(CCl)CCl	C534076
FP4_293	CC(c1ccc(CO)cc1)C	C536607
FP4_293	CC(=O)C(=O)O	C127173
FP4_293	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
FP4_293	c1ccccc1NC(=O)c1c(O)cccc1	C87172
FP4_293	CN(C)c1ccc(C=O)cc1	C100107
FP4_293	Nc1ccc(Br)cc1	C106401
FP4_293	c1ccccc1Oc1ccc(O)cc1	C831823
FP4_293	c1c(I)c(O)c(I)cc1C#N	C1689834
FP4_293	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
FP4_293	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
FP4_293	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
FP4_293	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
FP4_293	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
FP4_293	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
FP4_293	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
FP4_293	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
FP4_293	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
FP4_293	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
FP4_293	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
FP4_293	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
FP4_293	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
FP4_293	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
FP4_293	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
FP4_293	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
FP4_293	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
FP4_293	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_293	N(=C=NC1CCCCC1)C1CCCCC1	C538750
FP4_293	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
FP4_293	Nc1ccc2cc3ccccc3cc2c1	C613138
FP4_293	Nc1ccc(OC)cc1	C104949
FP4_293	c12ccccc1ccc1c2cccn1	C85029
FP4_293	Oc1c(O)cc(cc1)C(C)(C)C	C98293
FP4_293	C(=O)(O)c1ccc(Cl)cc1	C74113
FP4_293	O=CC=CC=CCCCCC	C25152845
FP4_293	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
FP4_293	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_293	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
FP4_293	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
FP4_293	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
FP4_293	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_293	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
FP4_293	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_293	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_293	CCCCCc1cc(O)cc(O)c1	C500663
FP4_293	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
FP4_293	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
FP4_293	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
FP4_293	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
FP4_293	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_293	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
FP4_293	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
FP4_293	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
FP4_293	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
FP4_293	O=C(O)c1cc2c(cc1O)cccc2	C92706
FP4_293	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
FP4_293	ClC(=O)OCCOCCOC(=O)Cl	C106752
FP4_293	OCC=C(C)C	C556821
FP4_293	ClC(=O)C(CC)CCCC	C760678
FP4_293	O=C(O)C(=O)C(C)(C)C	C815178
FP4_293	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_293	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
FP4_293	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
FP4_293	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_293	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
FP4_293	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
FP4_293	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
FP4_293	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
FP4_293	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
FP4_293	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
FP4_293	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
FP4_293	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
FP4_293	OCc1c[nH]c2c1cccc2	C700061
FP4_293	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_293	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
FP4_293	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP4_293	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
FP4_293	O=c1cc(C)o[nH]1	C10004441
FP4_293	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
FP4_293	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
FP4_293	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_293	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
FP4_293	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
FP4_293	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
FP4_293	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
FP4_293	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
FP4_293	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
FP4_293	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
FP4_293	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
FP4_293	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
FP4_293	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
FP4_293	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
FP4_293	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
FP4_293	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_293	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
FP4_293	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_293	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
FP4_293	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
FP4_293	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
FP4_293	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
FP4_293	Oc1ccc(cc1)Nc1ccccc1	C122372
FP4_293	O=CCCCCCCCCC=C	C112458
FP4_293	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
FP4_293	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
FP4_293	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
FP4_293	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
FP4_293	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_293	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_293	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_293	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
FP4_293	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
FP4_293	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
FP4_293	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
FP4_293	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_293	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
FP4_293	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
FP4_293	O=C(O)c1ccc([Hg]Cl)cc1	C59858
FP4_293	O=P(OCCCC)(O)OCCCC	C107664
FP4_293	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
FP4_293	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
FP4_293	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
FP4_293	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
FP4_293	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_293	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
FP4_293	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
FP4_293	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
FP4_293	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
FP4_293	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
FP4_293	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
FP4_293	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_293	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_293	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
FP4_293	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
FP4_293	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
FP4_293	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_293	O=C1CC(C)(C)NC(C)(C)C1	C826368
FP4_293	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_293	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
FP4_293	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
FP4_293	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
FP4_293	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
FP4_293	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_293	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_293	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
FP4_293	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_293	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_293	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
FP4_293	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
FP4_293	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
FP4_293	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_293	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
FP4_293	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
FP4_293	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
FP4_293	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
FP4_293	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
FP4_293	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
FP4_293	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
FP4_293	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
FP4_293	N#CSCCCCCCCCCCCC	C765151
FP4_293	OCCN(CCCCCCCCCCCC)CCO	C1541679
FP4_293	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP4_293	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
FP4_293	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
FP4_293	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
FP4_293	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_293	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
FP4_293	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
FP4_293	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
FP4_293	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
FP4_293	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
FP4_293	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
FP4_293	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
FP4_293	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_293	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
FP4_293	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
FP4_293	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
FP4_293	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
FP4_293	O=CN1CCCCC1	C2591868
FP4_293	O=C(O)CCSCCC(=O)O	C111171
FP4_293	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_293	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
FP4_293	CCCCCCCCCCCCN.Cl	C929737
FP4_293	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_293	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_293	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
FP4_293	O=C(CC(=O)C)OC(C)(C)C	C1694311
FP4_293	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
FP4_293	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
FP4_293	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
FP4_293	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_293	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
FP4_293	OC(C)C(=O)O[Hg]c1ccccc1	C122645
FP4_293	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
FP4_293	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_293	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
FP4_293	N#C[Au-]C#N.[K+]	C13967505
FP4_293	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_293	O=C(OC)CCCC(=O)O	C1501275
FP4_293	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
FP4_293	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
FP4_293	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
FP4_293	O=C(OCCOC(=O)C=C)C=C	C2274115
FP4_293	O=C(OCCCCO)C=C	C2478106
FP4_293	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_293	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_293	CC1(C)COP(Oc2ccccc2)OC1	C3057087
FP4_293	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
FP4_293	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
FP4_293	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
FP4_293	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
FP4_293	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
FP4_293	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
FP4_293	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
FP4_293	NCCCOCCCCCCCC	C15930662
FP4_293	O=C(OCC(O)COc1ccccc1)C=C	C16969101
FP4_293	Nc1cccc(C)n1	C1824813
FP4_293	O=C(O)CCCCCCCCCC(=O)O	C1852046
FP4_293	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
FP4_293	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
FP4_293	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
FP4_293	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
FP4_293	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
FP4_293	CC1COc2ccccc2N1	C32329207
FP4_293	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
FP4_293	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
FP4_293	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_293	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
FP4_293	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
FP4_293	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
FP4_293	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
FP4_293	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
FP4_293	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
FP4_293	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
FP4_293	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
FP4_293	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
FP4_293	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
FP4_293	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
FP4_293	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_293	O=C/C=C/CCCCCCC	C3913813
FP4_293	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
FP4_293	SC1CCCC1	C1679078
FP4_293	COC(OC)C(C)c1ccccc1	C90879
FP4_293	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
FP4_293	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_293	S=C=NCCCSC	C505793
FP4_293	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
FP4_293	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
FP4_293	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
FP4_293	O=C(C)c1cc2c(cc1)CCCC2	C774550
FP4_293	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
FP4_293	O=C(CC)OCCC(C)CCC=C(C)C	C141140
FP4_293	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
FP4_293	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
FP4_293	CC/C=C\CCOC(OCC)C	C28069741
FP4_293	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
FP4_293	NNC(=O)OCc1ccccc1	C5331431
FP4_293	c1(SSc2cccs2)cccs1	C6911519
FP4_293	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
FP4_293	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
FP4_293	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
FP4_293	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_293	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
FP4_293	O=C(O)CSCCCCCCCCCCC	C116296312
FP4_293	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
FP4_293	Oc1cc2c(cc1)c1ccccc1C2	C2443585
FP4_293	CCCCCCCCCC(C)C=O	C110418
FP4_293	O=COCc1ccc(OC)cc1	C122918
FP4_293	CCCCCc1ccco1	C3777693
FP4_293	CCC(=O)C(=O)CC	C4437518
FP4_293	OC1(C)SCC(O)(C)SC1	C55704784
FP4_293	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
FP4_294	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_294	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_294	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP4_294	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_294	O=[N+](CC)[O-]	C79243
FP4_294	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_294	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_294	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_294	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_294	F[B-](F)(F)F.[Na+]	C13755298
FP4_294	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_294	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_294	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_294	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP4_294	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_294	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_294	[Na+].[O-]C(=O)CF	C62748
FP4_294	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_294	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_294	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_294	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_294	[N+](=O)([O-])c1ccccc1N	C88744
FP4_294	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_294	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_294	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_294	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_294	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_294	[O-]c1ccccc1.[Na+]	C139026
FP4_294	O=C(N)[O-].[NH4+]	C1111780
FP4_294	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_294	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_294	O=C(CCl)[O-].[Na+]	C3926623
FP4_294	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP4_294	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_294	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP4_294	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP4_294	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_294	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_294	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_294	[S-]C(=S)NC.[Na+]	C137428
FP4_294	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_294	N#C[S-].[NH4+]	C1762954
FP4_294	[O-][N+](=O)[O-].[K+]	C7757791
FP4_294	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_294	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_294	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_294	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_294	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_294	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_294	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_294	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_294	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_294	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_294	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_294	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP4_294	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_294	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_294	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_294	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_294	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_294	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_294	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_294	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_294	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
FP4_294	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_294	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_294	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_294	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_294	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_294	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP4_294	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_294	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_294	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_294	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_294	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_294	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_294	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_294	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_294	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_294	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_294	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_294	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_294	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_294	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_294	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_294	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_294	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_294	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_294	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_294	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_294	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_294	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_294	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_294	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_294	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_294	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_294	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_294	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_294	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_294	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_294	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_294	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_294	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_294	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_294	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_294	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_294	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_294	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_294	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_294	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_294	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_294	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_294	O=[Cl](=O)[O-].[K+]	C3811049
FP4_294	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_294	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_294	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_294	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_294	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_294	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_294	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_294	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_294	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_294	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_294	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_294	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_294	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_294	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_294	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_294	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_294	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_294	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_294	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_294	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_294	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_294	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_294	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_294	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_294	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_294	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_294	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_294	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_294	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_294	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_294	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_294	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_294	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_294	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_294	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_294	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_294	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_294	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_294	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_294	[Na+].[N-]=[N+]=[N-]	C26628228
FP4_294	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_294	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_294	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_294	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_294	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_294	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_294	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_294	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_294	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_294	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_294	[Hg+2].[Cl-].[Cl-]	C7487947
FP4_294	O=N[O-].[Na+]	C7632000
FP4_294	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_294	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_294	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_294	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_294	O=[N+](c1ccccc1)[O-]	C98953
FP4_294	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_294	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_294	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_294	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_294	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_294	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_294	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_294	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_294	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_294	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_294	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_294	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_294	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_294	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_294	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_294	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_294	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_294	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_294	[O-][N+](=O)C(CO)(CO)Br	C52517
FP4_294	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_294	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_294	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_294	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_294	[N+](=O)([O-])c1ccccc1C	C88722
FP4_294	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_294	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_294	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_294	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_294	OCC(CO)([N+](=O)[O-])CO	C126114
FP4_294	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_294	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_294	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_294	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_294	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_294	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_294	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP4_294	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP4_294	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP4_294	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP4_294	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_294	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_294	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_294	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_294	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_294	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_294	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_294	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_294	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_294	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_294	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_294	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_294	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_294	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_294	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_294	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_294	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_294	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP4_294	[Na+].[O-][Cl]=O	C7758192
FP4_294	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_294	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_294	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_294	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_294	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_294	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_294	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_294	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_294	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_294	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_294	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_294	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_294	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_294	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_294	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_294	[Cl-].[Cd+2].[Cl-]	C10108642
FP4_294	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_294	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_294	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_294	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_294	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_294	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_294	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_294	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_294	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_294	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_294	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_294	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_294	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_294	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_294	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_294	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_294	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP4_294	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_294	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_294	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_294	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_294	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_294	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_294	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_294	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_294	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_294	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_294	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_294	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_294	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_294	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_294	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_294	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_294	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_294	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP4_294	[Hg+2].[I-].[I-]	C7774290
FP4_294	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_294	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_294	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_294	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_294	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_294	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
FP4_294	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_294	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_294	N#C[Au-]C#N.[K+]	C13967505
FP4_294	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_294	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_294	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_294	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_294	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_294	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_294	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_295	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_295	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_295	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP4_295	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_295	O=[N+](CC)[O-]	C79243
FP4_295	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_295	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_295	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_295	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_295	F[B-](F)(F)F.[Na+]	C13755298
FP4_295	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_295	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_295	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_295	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP4_295	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_295	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_295	[Na+].[O-]C(=O)CF	C62748
FP4_295	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_295	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_295	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_295	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_295	[N+](=O)([O-])c1ccccc1N	C88744
FP4_295	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_295	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_295	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_295	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_295	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_295	[O-]c1ccccc1.[Na+]	C139026
FP4_295	O=C(N)[O-].[NH4+]	C1111780
FP4_295	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_295	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_295	O=C(CCl)[O-].[Na+]	C3926623
FP4_295	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP4_295	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_295	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP4_295	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP4_295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_295	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_295	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_295	[S-]C(=S)NC.[Na+]	C137428
FP4_295	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_295	N#C[S-].[NH4+]	C1762954
FP4_295	[O-][N+](=O)[O-].[K+]	C7757791
FP4_295	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_295	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_295	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_295	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_295	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_295	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_295	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_295	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_295	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_295	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_295	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP4_295	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_295	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_295	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_295	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_295	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_295	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_295	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_295	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_295	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
FP4_295	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_295	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_295	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_295	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_295	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_295	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP4_295	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_295	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_295	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_295	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_295	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_295	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_295	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_295	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_295	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_295	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_295	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_295	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_295	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_295	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_295	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_295	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_295	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_295	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_295	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_295	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_295	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_295	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_295	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_295	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_295	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_295	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_295	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_295	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_295	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_295	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_295	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_295	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_295	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_295	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_295	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_295	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_295	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_295	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_295	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_295	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_295	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_295	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_295	O=[Cl](=O)[O-].[K+]	C3811049
FP4_295	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_295	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_295	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_295	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_295	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_295	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_295	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_295	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_295	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_295	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_295	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_295	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_295	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_295	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_295	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_295	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_295	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_295	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_295	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_295	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_295	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_295	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_295	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_295	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_295	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_295	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_295	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_295	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_295	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_295	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_295	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_295	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_295	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_295	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_295	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_295	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_295	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_295	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_295	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_295	[Na+].[N-]=[N+]=[N-]	C26628228
FP4_295	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_295	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_295	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_295	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_295	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_295	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_295	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_295	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_295	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_295	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_295	[Hg+2].[Cl-].[Cl-]	C7487947
FP4_295	O=N[O-].[Na+]	C7632000
FP4_295	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_295	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_295	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_295	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_295	O=[N+](c1ccccc1)[O-]	C98953
FP4_295	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_295	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_295	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_295	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_295	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_295	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_295	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_295	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_295	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_295	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_295	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_295	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_295	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_295	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_295	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_295	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_295	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_295	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_295	[O-][N+](=O)C(CO)(CO)Br	C52517
FP4_295	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_295	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_295	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_295	[N+](=O)([O-])c1ccccc1C	C88722
FP4_295	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_295	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_295	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_295	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_295	OCC(CO)([N+](=O)[O-])CO	C126114
FP4_295	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_295	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_295	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_295	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_295	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP4_295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP4_295	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP4_295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP4_295	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_295	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_295	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_295	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_295	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_295	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_295	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_295	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_295	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_295	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_295	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_295	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_295	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_295	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_295	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_295	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_295	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_295	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP4_295	[Na+].[O-][Cl]=O	C7758192
FP4_295	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_295	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_295	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_295	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_295	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_295	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_295	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_295	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_295	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_295	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_295	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_295	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_295	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_295	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_295	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_295	[Cl-].[Cd+2].[Cl-]	C10108642
FP4_295	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_295	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_295	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_295	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_295	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_295	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_295	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_295	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_295	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_295	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_295	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_295	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_295	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_295	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_295	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_295	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP4_295	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_295	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_295	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_295	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_295	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_295	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_295	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_295	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_295	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_295	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_295	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_295	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_295	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_295	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_295	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_295	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_295	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_295	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP4_295	[Hg+2].[I-].[I-]	C7774290
FP4_295	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_295	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_295	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_295	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_295	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_295	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
FP4_295	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_295	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_295	N#C[Au-]C#N.[K+]	C13967505
FP4_295	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_295	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_295	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_295	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_295	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_295	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_295	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_296	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_296	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_296	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP4_296	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_296	O=[N+](CC)[O-]	C79243
FP4_296	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_296	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_296	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_296	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_296	F[B-](F)(F)F.[Na+]	C13755298
FP4_296	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_296	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_296	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_296	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP4_296	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_296	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_296	[Na+].[O-]C(=O)CF	C62748
FP4_296	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_296	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_296	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_296	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_296	[N+](=O)([O-])c1ccccc1N	C88744
FP4_296	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_296	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_296	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_296	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_296	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_296	[O-]c1ccccc1.[Na+]	C139026
FP4_296	O=C(N)[O-].[NH4+]	C1111780
FP4_296	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_296	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_296	O=C(CCl)[O-].[Na+]	C3926623
FP4_296	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP4_296	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_296	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP4_296	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP4_296	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_296	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_296	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_296	[S-]C(=S)NC.[Na+]	C137428
FP4_296	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_296	N#C[S-].[NH4+]	C1762954
FP4_296	[O-][N+](=O)[O-].[K+]	C7757791
FP4_296	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_296	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_296	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_296	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_296	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_296	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_296	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_296	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_296	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_296	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_296	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_296	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP4_296	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_296	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_296	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_296	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_296	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_296	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_296	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_296	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_296	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
FP4_296	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_296	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_296	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_296	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_296	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_296	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP4_296	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_296	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_296	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_296	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_296	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_296	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_296	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_296	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_296	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_296	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_296	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_296	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_296	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_296	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_296	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_296	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_296	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_296	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_296	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_296	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_296	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_296	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_296	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_296	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_296	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_296	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_296	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_296	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_296	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_296	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_296	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_296	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_296	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_296	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_296	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_296	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_296	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_296	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_296	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_296	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_296	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_296	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_296	O=[Cl](=O)[O-].[K+]	C3811049
FP4_296	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_296	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_296	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_296	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_296	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_296	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_296	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_296	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_296	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_296	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_296	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_296	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_296	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_296	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_296	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_296	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_296	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_296	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_296	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_296	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_296	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_296	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_296	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_296	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_296	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_296	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_296	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_296	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_296	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_296	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_296	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_296	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_296	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_296	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_296	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_296	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_296	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_296	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_296	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_296	[Na+].[N-]=[N+]=[N-]	C26628228
FP4_296	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_296	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_296	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_296	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_296	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_296	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_296	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_296	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_296	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_296	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_296	[Hg+2].[Cl-].[Cl-]	C7487947
FP4_296	O=N[O-].[Na+]	C7632000
FP4_296	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_296	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_296	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_296	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_296	O=[N+](c1ccccc1)[O-]	C98953
FP4_296	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_296	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_296	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_296	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_296	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_296	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_296	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_296	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_296	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_296	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_296	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_296	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_296	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_296	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_296	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_296	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_296	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_296	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_296	[O-][N+](=O)C(CO)(CO)Br	C52517
FP4_296	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_296	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_296	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_296	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_296	[N+](=O)([O-])c1ccccc1C	C88722
FP4_296	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_296	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_296	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_296	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_296	OCC(CO)([N+](=O)[O-])CO	C126114
FP4_296	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_296	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_296	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_296	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_296	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_296	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP4_296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP4_296	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP4_296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP4_296	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_296	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_296	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_296	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_296	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_296	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_296	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_296	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_296	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_296	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_296	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_296	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_296	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_296	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_296	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_296	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_296	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_296	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP4_296	[Na+].[O-][Cl]=O	C7758192
FP4_296	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_296	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_296	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_296	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_296	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_296	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_296	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_296	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_296	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_296	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_296	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_296	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_296	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_296	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_296	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_296	[Cl-].[Cd+2].[Cl-]	C10108642
FP4_296	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_296	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_296	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_296	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_296	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_296	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_296	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_296	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_296	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_296	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_296	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_296	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_296	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_296	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_296	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_296	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP4_296	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_296	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_296	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_296	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_296	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_296	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_296	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_296	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_296	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_296	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_296	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_296	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_296	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_296	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_296	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_296	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_296	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_296	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP4_296	[Hg+2].[I-].[I-]	C7774290
FP4_296	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_296	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_296	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_296	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_296	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_296	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
FP4_296	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_296	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_296	N#C[Au-]C#N.[K+]	C13967505
FP4_296	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_296	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_296	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_296	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_296	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_296	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_296	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_297	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
FP4_297	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
FP4_297	[N+].c1(N(N=O)[O-])ccccc1	C135206
FP4_297	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
FP4_297	O=[N+](CC)[O-]	C79243
FP4_297	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
FP4_297	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
FP4_297	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
FP4_297	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
FP4_297	F[B-](F)(F)F.[Na+]	C13755298
FP4_297	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
FP4_297	Oc1c([N+](=O)[O-])cccc1	C88755
FP4_297	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
FP4_297	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
FP4_297	[NH4+].[O-]S(=O)(=O)N	C7773060
FP4_297	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
FP4_297	[Na+].[O-]C(=O)CF	C62748
FP4_297	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
FP4_297	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
FP4_297	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
FP4_297	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
FP4_297	[N+](=O)([O-])c1ccccc1N	C88744
FP4_297	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
FP4_297	[S-]c1nc2ccccc2s1.[Na+]	C2492264
FP4_297	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
FP4_297	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
FP4_297	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
FP4_297	[O-]c1ccccc1.[Na+]	C139026
FP4_297	O=C(N)[O-].[NH4+]	C1111780
FP4_297	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
FP4_297	O=C([O-])C(CC)CCCC.[K+]	C3164850
FP4_297	O=C(CCl)[O-].[Na+]	C3926623
FP4_297	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
FP4_297	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
FP4_297	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
FP4_297	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
FP4_297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
FP4_297	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
FP4_297	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
FP4_297	[S-]C(=S)NC.[Na+]	C137428
FP4_297	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
FP4_297	N#C[S-].[NH4+]	C1762954
FP4_297	[O-][N+](=O)[O-].[K+]	C7757791
FP4_297	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
FP4_297	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
FP4_297	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
FP4_297	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
FP4_297	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
FP4_297	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
FP4_297	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
FP4_297	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
FP4_297	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
FP4_297	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
FP4_297	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
FP4_297	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
FP4_297	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
FP4_297	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
FP4_297	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
FP4_297	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
FP4_297	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
FP4_297	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
FP4_297	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
FP4_297	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
FP4_297	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
FP4_297	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
FP4_297	Nc1ccc([N+](=O)[O-])cc1OC	C97529
FP4_297	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
FP4_297	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
FP4_297	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
FP4_297	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
FP4_297	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
FP4_297	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
FP4_297	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
FP4_297	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
FP4_297	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
FP4_297	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
FP4_297	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
FP4_297	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
FP4_297	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
FP4_297	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
FP4_297	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
FP4_297	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
FP4_297	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
FP4_297	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
FP4_297	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
FP4_297	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
FP4_297	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
FP4_297	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
FP4_297	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
FP4_297	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
FP4_297	O=S(=O)(OC)[O-].[Na+]	C512425
FP4_297	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
FP4_297	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
FP4_297	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
FP4_297	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
FP4_297	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
FP4_297	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
FP4_297	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
FP4_297	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
FP4_297	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
FP4_297	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
FP4_297	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
FP4_297	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
FP4_297	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
FP4_297	[O-]C(=O)C(=C)C.[Na+]	C5536618
FP4_297	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
FP4_297	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
FP4_297	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
FP4_297	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
FP4_297	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
FP4_297	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
FP4_297	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
FP4_297	O=[Cl](=O)[O-].[K+]	C3811049
FP4_297	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
FP4_297	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
FP4_297	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
FP4_297	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
FP4_297	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
FP4_297	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
FP4_297	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
FP4_297	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
FP4_297	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
FP4_297	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
FP4_297	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
FP4_297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
FP4_297	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
FP4_297	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
FP4_297	[Cl-].C[N+]1(C)CCCCC1	C24307264
FP4_297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
FP4_297	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
FP4_297	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
FP4_297	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
FP4_297	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
FP4_297	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
FP4_297	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
FP4_297	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
FP4_297	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
FP4_297	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
FP4_297	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
FP4_297	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
FP4_297	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
FP4_297	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
FP4_297	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
FP4_297	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
FP4_297	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
FP4_297	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
FP4_297	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
FP4_297	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
FP4_297	CNC(=S)[S-].[Na+].O.O.O	C6734801
FP4_297	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
FP4_297	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
FP4_297	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
FP4_297	[Na+].[N-]=[N+]=[N-]	C26628228
FP4_297	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
FP4_297	c1(ccccc1)C(=O)[O-].[Na+]	C532321
FP4_297	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
FP4_297	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
FP4_297	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
FP4_297	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
FP4_297	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
FP4_297	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
FP4_297	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
FP4_297	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
FP4_297	[Hg+2].[Cl-].[Cl-]	C7487947
FP4_297	O=N[O-].[Na+]	C7632000
FP4_297	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
FP4_297	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
FP4_297	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
FP4_297	O=[N+](c1ccc(cc1)N)[O-]	C100016
FP4_297	O=[N+](c1ccccc1)[O-]	C98953
FP4_297	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
FP4_297	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
FP4_297	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
FP4_297	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
FP4_297	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
FP4_297	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
FP4_297	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
FP4_297	Cc1cc([N+](=O)[O-])ccc1	C99081
FP4_297	Oc1ccc([N+](=O)[O-])cc1	C100027
FP4_297	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
FP4_297	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
FP4_297	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
FP4_297	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
FP4_297	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
FP4_297	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
FP4_297	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
FP4_297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
FP4_297	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
FP4_297	[O-][N+](=O)C(CO)(CO)Br	C52517
FP4_297	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
FP4_297	Cc1cccc(c1C)[N+](=O)[O-]	C83410
FP4_297	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
FP4_297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
FP4_297	[N+](=O)([O-])c1ccccc1C	C88722
FP4_297	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
FP4_297	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
FP4_297	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
FP4_297	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
FP4_297	OCC(CO)([N+](=O)[O-])CO	C126114
FP4_297	[S-]C(=S)N(C)C.[Na+]	C128041
FP4_297	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
FP4_297	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
FP4_297	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
FP4_297	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
FP4_297	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
FP4_297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
FP4_297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
FP4_297	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
FP4_297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
FP4_297	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
FP4_297	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
FP4_297	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
FP4_297	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
FP4_297	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
FP4_297	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
FP4_297	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
FP4_297	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
FP4_297	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
FP4_297	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
FP4_297	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
FP4_297	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
FP4_297	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
FP4_297	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
FP4_297	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
FP4_297	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
FP4_297	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
FP4_297	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
FP4_297	[Na+].[O-][Cl]=O	C7758192
FP4_297	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
FP4_297	[O-][N+](C)(C)CCCCCCCCCC	C2605790
FP4_297	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
FP4_297	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
FP4_297	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
FP4_297	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
FP4_297	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
FP4_297	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
FP4_297	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
FP4_297	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
FP4_297	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
FP4_297	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
FP4_297	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
FP4_297	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
FP4_297	O=[N+](c1cnc(s1)N)[O-]	C121664
FP4_297	[Cl-].[Cd+2].[Cl-]	C10108642
FP4_297	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
FP4_297	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
FP4_297	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
FP4_297	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
FP4_297	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
FP4_297	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
FP4_297	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
FP4_297	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
FP4_297	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
FP4_297	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
FP4_297	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
FP4_297	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
FP4_297	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
FP4_297	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
FP4_297	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
FP4_297	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
FP4_297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
FP4_297	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
FP4_297	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
FP4_297	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
FP4_297	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
FP4_297	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
FP4_297	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
FP4_297	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
FP4_297	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
FP4_297	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
FP4_297	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
FP4_297	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
FP4_297	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
FP4_297	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
FP4_297	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
FP4_297	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
FP4_297	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
FP4_297	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
FP4_297	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
FP4_297	[Hg+2].[I-].[I-]	C7774290
FP4_297	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
FP4_297	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
FP4_297	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
FP4_297	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
FP4_297	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
FP4_297	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
FP4_297	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
FP4_297	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
FP4_297	N#C[Au-]C#N.[K+]	C13967505
FP4_297	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
FP4_297	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
FP4_297	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
FP4_297	O=C([O-])c1cnccc1.[Na+]	C54864
FP4_297	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
FP4_297	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
FP4_297	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
FP4_302	O=C(N)N=NC(=O)N	C123773
MACCS_2	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_2	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_2	Cl[Sn](C)(C)Cl	C753731
MACCS_2	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_2	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_2	C[As](=O)(C)O	C75605
MACCS_2	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_2	[As]#[In]	C1303113
MACCS_2	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_2	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_2	Br[Sn](CC)(CC)CC	C2767546
MACCS_2	O=[As]c1ccccc1	C637036
MACCS_2	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_2	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_2	Cl[Sb](Cl)Cl	C10025919
MACCS_2	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_2	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_4	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_5	Cl[Dy](Cl)Cl	C10025748
MACCS_6	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_6	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_6	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_7	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_7	c1(nc[nH]n1)N	C61825
MACCS_7	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_7	[nH]1c2c(cccc2)nn1	C95147
MACCS_7	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_7	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_7	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_7	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_7	c1cccc2[nH]ccc12	C120729
MACCS_7	O=NN1CCCC1	C930552
MACCS_7	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_7	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_7	CCCCCCC1OC(=O)CC1	C706149
MACCS_7	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_7	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_7	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_7	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_7	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_7	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_7	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_7	c1ccc2ncsc2c1	C95169
MACCS_7	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_7	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_7	c1c(CO)occ1	C98000
MACCS_7	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_7	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_7	Cc1cccc2nn[nH]c12	C29385431
MACCS_7	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_7	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_7	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_7	O=C1OCC(C)O1	C108327
MACCS_7	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_7	O=C1NCCC1	C616455
MACCS_7	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_7	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_7	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_7	OCC1OCCC1	C97994
MACCS_7	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_7	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_7	n1c[nH]cc1	C288324
MACCS_7	O=C1NC2NC(=O)NC2N1	C496468
MACCS_7	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_7	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_7	OCn1nc(C)cc1C	C85264331
MACCS_7	Clc1c(Cl)ssc1=O	C1192525
MACCS_7	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_7	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_7	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_7	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_7	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_7	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_7	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_7	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_7	O=C1OC(CCCCC)CC1	C104610
MACCS_7	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_7	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_7	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_7	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_7	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_7	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_7	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_7	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_7	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_7	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_7	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_7	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_7	O=C1OCC(CC)O1	C4437858
MACCS_7	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_7	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_7	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_7	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_7	O=C1CCC(O1)CC	C695067
MACCS_7	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_7	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_7	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_7	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_7	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_7	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_7	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_7	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_7	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_7	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_7	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_7	O=C1OC(CCC)CC1	C105215
MACCS_7	c12ccccc1c1c(cccc1)s2	C132650
MACCS_7	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_7	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_7	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_7	S=C1NCCN1	C96457
MACCS_7	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_7	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_7	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_7	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_7	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_7	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_7	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_7	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_7	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_7	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_7	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_7	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_7	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_7	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_7	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_7	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_7	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_7	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_7	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_7	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_7	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_7	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_7	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_7	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_7	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_7	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_7	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_7	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_7	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_7	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_7	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_7	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_7	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_7	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_7	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_7	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_7	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_7	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_7	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_7	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_7	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_7	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_7	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_7	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_7	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_7	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_7	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_7	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_7	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_7	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_7	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_7	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_7	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_7	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_7	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_7	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_7	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_7	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_7	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_7	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_7	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_7	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_7	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_7	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_7	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_7	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_7	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_7	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_7	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_7	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_7	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_7	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_7	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_7	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_7	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_7	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_7	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_7	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_7	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_7	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_7	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_7	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_7	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_7	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_7	c1coc2c1cccc2	C271896
MACCS_7	O=C1CCCO1	C96480
MACCS_7	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_7	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_7	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_7	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_7	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_7	O=Cc1ccco1	C98011
MACCS_7	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_7	Sc1nc2c(cccc2)s1	C149304
MACCS_7	[nH]1c(=S)n(cc1)C	C60560
MACCS_7	O=C1N(CCC1)C	C872504
MACCS_7	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_7	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_7	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_7	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_7	O=S1(=O)CCCO1	C1120714
MACCS_7	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_7	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_7	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_7	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_7	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_7	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_7	O=C1N(C=C)CCC1	C88120
MACCS_7	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_7	CC1(C)NC(=O)NC1=O	C77714
MACCS_7	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_7	c1cccc2c3ccccc3oc12	C132649
MACCS_7	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_7	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_7	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_7	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_7	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_7	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_7	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_7	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_7	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_7	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_7	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_7	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_7	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_7	O=c1ccsn1CCCCCCCC	C26530201
MACCS_7	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_7	[nH]1ncnc1	C288880
MACCS_7	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_7	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_7	CCC12N(COC1)COC2	C7747355
MACCS_7	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_7	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_7	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_7	O=c1[nH]sc2c1cccc2	C2634335
MACCS_7	Nn1cnnc1	C584134
MACCS_7	O=c1n(C)sc(Cl)c1	C26172554
MACCS_7	O=C1CCC(O1)CCCCCCC	C104676
MACCS_7	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_7	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_7	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_7	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_7	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_7	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_7	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_7	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_7	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_7	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_7	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_7	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_7	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_7	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_7	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_7	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_7	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_7	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_7	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_7	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_7	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_7	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_7	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_7	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_7	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_7	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_7	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_7	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_7	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_7	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_7	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_7	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_7	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_7	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_7	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_7	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_7	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_7	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_7	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_7	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_7	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_7	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_7	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_7	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_7	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_7	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_7	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_7	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_7	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_7	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_7	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_7	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_7	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_7	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_7	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_7	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_7	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_7	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_7	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_7	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_7	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_7	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_7	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_7	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_7	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_7	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_7	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_7	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_7	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_7	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_7	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_7	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_7	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_7	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_7	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_7	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_7	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_7	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_7	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_7	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_7	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_7	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_7	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_7	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_7	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_7	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_7	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_7	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_7	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_7	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_7	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_7	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_7	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_7	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_7	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_7	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_7	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_7	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_7	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_7	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_7	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_7	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_7	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_7	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_7	OCc1c[nH]c2c1cccc2	C700061
MACCS_7	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_7	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_7	O=c1cc(C)o[nH]1	C10004441
MACCS_7	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_7	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_7	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_7	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_7	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_7	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_7	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_7	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_7	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_7	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_7	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_7	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_7	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_7	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_7	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_7	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_7	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_7	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_7	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_7	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_7	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_7	c1(SSc2cccs2)cccs1	C6911519
MACCS_7	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_7	CCCCCc1ccco1	C3777693
MACCS_8	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_9	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_9	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_9	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_9	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_9	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_10	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_10	c1(nc[nH]n1)N	C61825
MACCS_10	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_10	[nH]1c2c(cccc2)nn1	C95147
MACCS_10	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_10	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_10	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_10	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_10	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_10	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_10	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_10	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_10	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_10	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_10	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_10	c1cccc2[nH]ccc12	C120729
MACCS_10	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_10	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_10	O=NN1CCCC1	C930552
MACCS_10	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_10	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_10	CCCCCCC1OC(=O)CC1	C706149
MACCS_10	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_10	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_10	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_10	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_10	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_10	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_10	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_10	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_10	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_10	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_10	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_10	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_10	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_10	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_10	c1ccc2ncsc2c1	C95169
MACCS_10	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_10	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_10	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_10	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_10	CC=C1CC2C=CC1C2	C16219753
MACCS_10	c1c(CO)occ1	C98000
MACCS_10	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_10	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_10	Cc1cccc2nn[nH]c12	C29385431
MACCS_10	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_10	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_10	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_10	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_10	O=C1OCC(C)O1	C108327
MACCS_10	C1=CC=CC1	C542927
MACCS_10	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_10	O=C1NCCC1	C616455
MACCS_10	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_10	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_10	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_10	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_10	OCC1OCCC1	C97994
MACCS_10	O=C1CCCC1	C120923
MACCS_10	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_10	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_10	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_10	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_10	n1c[nH]cc1	C288324
MACCS_10	O=C1NC2NC(=O)NC2N1	C496468
MACCS_10	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_10	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_10	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_10	OCn1nc(C)cc1C	C85264331
MACCS_10	Clc1c(Cl)ssc1=O	C1192525
MACCS_10	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_10	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_10	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_10	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_10	OC1CCCC1	C96413
MACCS_10	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_10	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_10	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_10	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_10	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_10	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_10	O=C1OC(CCCCC)CC1	C104610
MACCS_10	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_10	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_10	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_10	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_10	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_10	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_10	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_10	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_10	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_10	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_10	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_10	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_10	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_10	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_10	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_10	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_10	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_10	O=C1OCC(CC)O1	C4437858
MACCS_10	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_10	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_10	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_10	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_10	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_10	O=C1CCC(O1)CC	C695067
MACCS_10	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_10	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_10	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_10	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_10	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_10	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_10	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_10	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_10	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_10	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_10	c12ccccc1CC=C2	C95136
MACCS_10	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_10	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_10	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_10	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_10	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_10	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_10	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_10	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_10	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_10	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_10	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_10	O=C1OC(CCC)CC1	C105215
MACCS_10	c12ccccc1c1c(cccc1)s2	C132650
MACCS_10	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_10	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_10	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_10	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_10	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_10	S=C1NCCN1	C96457
MACCS_10	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_10	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_10	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_10	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_10	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_10	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_10	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_10	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_10	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_10	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_10	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_10	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_10	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_10	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_10	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_10	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_10	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_10	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_10	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_10	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_10	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_10	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_10	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_10	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_10	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_10	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_10	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_10	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_10	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_10	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_10	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_10	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_10	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_10	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_10	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_10	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_10	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_10	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_10	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_10	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_10	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_10	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_10	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_10	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_10	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_10	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_10	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_10	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_10	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_10	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_10	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_10	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_10	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_10	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_10	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_10	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_10	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_10	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_10	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_10	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_10	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_10	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_10	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_10	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_10	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_10	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_10	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_10	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_10	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_10	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_10	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_10	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_10	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_10	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_10	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_10	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_10	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_10	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_10	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_10	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_10	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_10	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_10	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_10	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_10	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_10	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_10	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_10	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_10	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_10	c1coc2c1cccc2	C271896
MACCS_10	O=C1CCCO1	C96480
MACCS_10	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_10	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_10	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_10	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_10	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_10	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_10	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_10	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_10	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_10	O=Cc1ccco1	C98011
MACCS_10	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_10	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_10	Sc1nc2c(cccc2)s1	C149304
MACCS_10	[nH]1c(=S)n(cc1)C	C60560
MACCS_10	O=C1N(CCC1)C	C872504
MACCS_10	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_10	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_10	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_10	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_10	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_10	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_10	O=S1(=O)CCCO1	C1120714
MACCS_10	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_10	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_10	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_10	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_10	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_10	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_10	O=C1N(C=C)CCC1	C88120
MACCS_10	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_10	CC1(C)NC(=O)NC1=O	C77714
MACCS_10	c1ccc2cccc3c2c1CC3	C83329
MACCS_10	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_10	c1cccc2c3ccccc3oc12	C132649
MACCS_10	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_10	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_10	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_10	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_10	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_10	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_10	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_10	c1cc2cccc3C=Cc(c1)c23	C208968
MACCS_10	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
MACCS_10	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_10	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_10	c1cccc2c1c1cccc3cccc2c13	C206440
MACCS_10	c1cccc2Cc3ccccc3c12	C86737
MACCS_10	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_10	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_10	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_10	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_10	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_10	O=c1ccsn1CCCCCCCC	C26530201
MACCS_10	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_10	[nH]1ncnc1	C288880
MACCS_10	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_10	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_10	CCC12N(COC1)COC2	C7747355
MACCS_10	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_10	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_10	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_10	O=c1[nH]sc2c1cccc2	C2634335
MACCS_10	Nn1cnnc1	C584134
MACCS_10	O=c1n(C)sc(Cl)c1	C26172554
MACCS_10	O=C1CCC(O1)CCCCCCC	C104676
MACCS_10	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_10	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_10	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_10	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_10	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_10	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_10	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_10	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_10	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_10	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_10	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_10	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_10	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_10	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_10	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_10	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_10	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_10	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_10	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_10	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_10	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_10	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_10	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_10	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_10	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_10	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_10	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_10	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_10	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_10	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_10	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_10	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_10	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_10	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_10	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_10	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_10	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_10	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_10	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_10	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_10	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_10	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_10	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_10	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_10	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_10	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_10	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_10	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_10	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_10	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_10	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_10	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_10	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_10	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_10	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_10	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_10	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_10	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_10	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_10	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_10	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_10	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_10	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_10	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_10	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_10	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_10	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_10	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_10	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_10	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_10	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_10	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_10	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_10	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_10	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_10	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_10	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_10	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_10	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_10	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_10	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_10	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_10	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_10	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_10	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_10	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_10	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_10	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_10	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_10	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_10	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_10	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_10	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_10	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_10	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_10	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_10	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_10	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_10	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_10	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_10	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_10	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_10	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_10	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_10	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_10	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_10	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_10	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_10	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_10	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_10	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_10	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_10	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_10	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_10	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_10	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_10	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_10	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_10	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_10	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_10	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_10	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_10	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_10	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_10	OCc1c[nH]c2c1cccc2	C700061
MACCS_10	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_10	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_10	O=c1cc(C)o[nH]1	C10004441
MACCS_10	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_10	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_10	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_10	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_10	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_10	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_10	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_10	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_10	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_10	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_10	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_10	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_10	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_10	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_10	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_10	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_10	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_10	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_10	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_10	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_10	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_10	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_10	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_10	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_10	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_10	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_10	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_10	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_10	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_10	SC1CCCC1	C1679078
MACCS_10	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_10	c1(SSc2cccs2)cccs1	C6911519
MACCS_10	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_10	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_10	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_10	CCCCCc1ccco1	C3777693
MACCS_11	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_11	c1([Hg]c2ccccc2)ccccc1	C587859
MACCS_11	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_11	[Hg+2].[Cl-].[Cl-]	C7487947
MACCS_11	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_11	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_11	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_11	[Cl-].[Cd+2].[Cl-]	C10108642
MACCS_11	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_11	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_11	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_11	[Hg+2].[I-].[I-]	C7774290
MACCS_11	Cl[Hg]c1ccccc1	C100561
MACCS_11	Cl[Au](Cl)Cl	C13453071
MACCS_11	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_11	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_11	N#C[Au-]C#N.[K+]	C13967505
MACCS_12	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_12	c1([Hg]c2ccccc2)ccccc1	C587859
MACCS_12	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_12	[Hg+2].[Cl-].[Cl-]	C7487947
MACCS_12	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_12	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_12	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_12	[Cl-].[Cd+2].[Cl-]	C10108642
MACCS_12	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_12	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_12	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_12	[Hg+2].[I-].[I-]	C7774290
MACCS_12	Cl[Hg]c1ccccc1	C100561
MACCS_12	Cl[Au](Cl)Cl	C13453071
MACCS_12	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_12	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_12	N#C[Au-]C#N.[K+]	C13967505
MACCS_13	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_13	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_13	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_13	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_13	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_13	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_13	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_13	c1(SSc2cccs2)cccs1	C6911519
MACCS_14	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_14	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_14	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_14	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_14	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_14	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_14	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_14	c1(SSc2cccs2)cccs1	C6911519
MACCS_15	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_15	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_15	CC1CC(=O)O1	C3068880
MACCS_16	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_16	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_16	C(O)C#CCO	C110656
MACCS_16	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_16	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_16	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_16	OC(CC(C)C)(C)C#C	C107540
MACCS_16	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_16	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_16	O=C(NCCCC)OCC#CI	C55406536
MACCS_16	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_16	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_16	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_16	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_16	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_16	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_16	OC(C(CC)CCCC)C#C	C5877429
MACCS_16	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_16	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_16	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_16	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_16	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_17	F[B-](F)(F)F.[Na+]	C13755298
MACCS_17	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
MACCS_17	OB(O)O	C10043353
MACCS_17	[As]#[In]	C1303113
MACCS_17	Cl[In](Cl)Cl	C10025828
MACCS_17	Cl[In](Cl)Cl.O.O	C143983919
MACCS_18	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_18	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_18	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_18	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_18	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_18	O=C1NC2NC(=O)NC2N1	C496468
MACCS_18	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_18	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_18	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_18	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_18	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_18	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_18	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_18	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_18	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_18	C1N2CN3CN(C2)CN1C3	C100970
MACCS_18	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_18	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_18	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_18	CCC12N(COC1)COC2	C7747355
MACCS_18	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_18	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_18	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_18	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_18	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_19	C[Si](=O)C	C9016006
MACCS_19	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_19	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_19	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_19	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_19	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_19	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_19	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_19	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_19	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_19	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_19	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_19	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_19	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_19	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_19	CCO[Si](OCC)(OCC)CC	C78079
MACCS_19	CO[Si](C)(C)OC	C1112396
MACCS_19	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_19	CCO[Si](OCC)(C)OCC	C2031676
MACCS_19	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_19	CO[Si](OC)(CCC)OC	C1067250
MACCS_19	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_19	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_19	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_19	O=[Si]=O	C7631869
MACCS_19	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_19	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_20	C[Si](=O)C	C9016006
MACCS_20	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_20	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_20	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_20	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_20	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_20	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_20	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_20	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_20	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_20	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_20	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_20	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_20	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_20	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_20	CCO[Si](OCC)(OCC)CC	C78079
MACCS_20	CO[Si](C)(C)OC	C1112396
MACCS_20	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_20	CCO[Si](OCC)(C)OCC	C2031676
MACCS_20	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_20	CO[Si](OC)(CCC)OC	C1067250
MACCS_20	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_20	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_20	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_20	O=[Si]=O	C7631869
MACCS_20	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_20	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_21	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_21	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_21	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_21	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_21	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_21	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_21	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_21	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_21	CC1CC(=O)O1	C3068880
MACCS_22	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_22	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_22	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_22	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_22	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_22	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_22	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_22	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_22	CC1CC(=O)O1	C3068880
MACCS_23	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_23	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_23	O=[N+](CC)[O-]	C79243
MACCS_23	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_23	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_23	ON=C1CCCCC1	C100641
MACCS_23	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_23	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_23	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_23	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_23	ON=CCCC	C110690
MACCS_23	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_23	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_23	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_23	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_23	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_23	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_23	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_23	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_23	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_23	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_23	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_23	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_23	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_23	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_23	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_23	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_23	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_23	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_23	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_23	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_23	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_23	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_23	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_23	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_23	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_23	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_23	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_23	CSC(=NOC(=O)NC)C	C16752775
MACCS_23	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_23	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_23	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_23	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_23	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_23	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_23	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_23	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_23	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_23	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_23	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_23	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_23	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_23	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_23	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_23	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_23	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_23	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_23	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_23	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_23	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_23	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_23	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_23	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_23	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_23	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_23	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_23	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_23	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_23	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_23	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_23	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_23	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_23	O=N[O-].[Na+]	C7632000
MACCS_23	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_23	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_23	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_23	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_23	O=[N+](c1ccccc1)[O-]	C98953
MACCS_23	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_23	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_23	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_23	CCC(=NO)C	C96297
MACCS_23	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_23	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_23	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_23	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_23	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_23	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_23	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_23	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_23	ON=CC(C)(C)SC	C1646759
MACCS_23	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_23	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_23	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_23	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_23	C(=O)(N)NO	C127071
MACCS_23	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_23	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_23	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_23	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_23	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_23	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_23	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_23	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_23	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_23	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_23	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_23	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_23	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_23	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_23	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_23	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_23	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_23	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_23	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_23	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_23	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_23	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_23	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_23	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_23	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_23	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_23	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_23	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_23	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_23	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_23	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_23	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_23	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_23	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_23	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_23	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_23	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_23	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_23	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_23	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_23	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_23	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_23	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_23	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_23	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_23	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_23	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_23	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_23	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_23	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_24	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_24	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_24	O=[N+](CC)[O-]	C79243
MACCS_24	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_24	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_24	ON=C1CCCCC1	C100641
MACCS_24	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_24	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_24	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_24	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_24	ON=CCCC	C110690
MACCS_24	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_24	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_24	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_24	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_24	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_24	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_24	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_24	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_24	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_24	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_24	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_24	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_24	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_24	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_24	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_24	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_24	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_24	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_24	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_24	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_24	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_24	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_24	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_24	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_24	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_24	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_24	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_24	CSC(=NOC(=O)NC)C	C16752775
MACCS_24	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_24	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_24	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_24	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_24	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_24	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_24	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_24	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_24	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_24	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_24	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_24	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_24	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_24	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_24	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_24	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_24	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_24	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_24	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_24	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_24	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_24	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_24	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_24	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_24	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_24	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_24	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_24	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_24	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_24	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_24	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_24	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_24	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_24	O=N[O-].[Na+]	C7632000
MACCS_24	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_24	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_24	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_24	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_24	O=[N+](c1ccccc1)[O-]	C98953
MACCS_24	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_24	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_24	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_24	CCC(=NO)C	C96297
MACCS_24	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_24	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_24	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_24	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_24	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_24	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_24	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_24	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_24	ON=CC(C)(C)SC	C1646759
MACCS_24	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_24	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_24	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_24	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_24	C(=O)(N)NO	C127071
MACCS_24	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_24	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_24	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_24	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_24	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_24	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_24	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_24	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_24	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_24	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_24	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_24	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_24	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_24	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_24	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_24	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_24	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_24	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_24	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_24	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_24	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_24	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_24	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_24	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_24	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_24	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_24	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_24	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_24	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_24	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_24	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_24	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_24	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_24	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_24	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_24	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_24	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_24	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_24	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_24	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_24	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_24	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_24	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_24	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_24	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_24	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_24	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_24	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_24	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_24	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_25	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_25	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_25	O=[N+](CC)[O-]	C79243
MACCS_25	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_25	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_25	ON=C1CCCCC1	C100641
MACCS_25	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_25	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_25	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_25	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_25	ON=CCCC	C110690
MACCS_25	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_25	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_25	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_25	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_25	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_25	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_25	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_25	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_25	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_25	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_25	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_25	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_25	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_25	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_25	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_25	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_25	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_25	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_25	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_25	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_25	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_25	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_25	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_25	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_25	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_25	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_25	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_25	CSC(=NOC(=O)NC)C	C16752775
MACCS_25	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_25	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_25	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_25	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_25	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_25	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_25	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_25	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_25	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_25	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_25	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_25	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_25	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_25	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_25	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_25	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_25	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_25	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_25	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_25	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_25	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_25	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_25	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_25	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_25	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_25	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_25	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_25	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_25	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_25	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_25	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_25	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_25	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_25	O=N[O-].[Na+]	C7632000
MACCS_25	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_25	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_25	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_25	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_25	O=[N+](c1ccccc1)[O-]	C98953
MACCS_25	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_25	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_25	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_25	CCC(=NO)C	C96297
MACCS_25	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_25	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_25	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_25	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_25	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_25	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_25	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_25	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_25	ON=CC(C)(C)SC	C1646759
MACCS_25	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_25	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_25	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_25	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_25	C(=O)(N)NO	C127071
MACCS_25	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_25	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_25	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_25	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_25	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_25	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_25	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_25	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_25	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_25	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_25	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_25	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_25	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_25	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_25	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_25	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_25	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_25	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_25	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_25	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_25	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_25	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_25	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_25	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_25	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_25	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_25	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_25	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_25	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_25	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_25	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_25	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_25	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_25	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_25	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_25	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_25	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_25	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_25	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_25	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_25	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_25	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_25	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_25	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_25	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_25	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_25	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_25	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_25	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_25	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_26	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_26	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_26	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_26	[Na]I	C7681825
MACCS_26	NCCN.I.I	C5700492
MACCS_26	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_26	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_26	O=C(NCCCC)OCC#CI	C55406536
MACCS_26	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_26	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_26	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_26	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_26	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_26	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_26	[Hg+2].[I-].[I-]	C7774290
MACCS_26	IC(=C(I)I)I	C513928
MACCS_26	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_27	ClCOC	C107302
MACCS_27	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_27	OCNC(=O)NCO	C140954
MACCS_27	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_27	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_27	OCn1nc(C)cc1C	C85264331
MACCS_27	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_27	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_27	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_27	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_27	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_27	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_27	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_27	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_27	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_27	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_27	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_27	CN1CN(C)CSC1=S	C533744
MACCS_27	C(SC#N)SC#N	C6317186
MACCS_27	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_27	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_27	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_27	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_27	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_27	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_27	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_27	C1N2CN3CN(C2)CN1C3	C100970
MACCS_27	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_27	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_27	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_27	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_27	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_27	CCC12N(COC1)COC2	C7747355
MACCS_27	S=P(OCC)(OCC)SCSCC	C298022
MACCS_27	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_27	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_27	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_27	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_27	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_27	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_27	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_27	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_27	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_27	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_31	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_31	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_31	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_31	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_31	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_31	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_31	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_31	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_31	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_31	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_31	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_31	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_31	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_31	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_31	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_31	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_31	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_31	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_31	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_31	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_31	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_31	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_31	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_31	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_31	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_31	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_31	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_31	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_31	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_31	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_31	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_31	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_31	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_31	O=c1ccsn1CCCCCCCC	C26530201
MACCS_31	O=c1[nH]sc2c1cccc2	C2634335
MACCS_31	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_31	O=c1n(C)sc(Cl)c1	C26172554
MACCS_31	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_31	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_31	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_31	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_31	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_31	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_31	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_31	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_31	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_31	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_31	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_31	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_31	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_31	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_31	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_31	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_31	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_31	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_31	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_31	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_31	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_31	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_31	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_31	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_31	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_31	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_31	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_31	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_31	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_31	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_31	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_31	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_31	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_31	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_31	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_31	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_31	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_31	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_31	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_31	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_31	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_32	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_32	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_32	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_32	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_32	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_32	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_32	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_32	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_32	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_32	O=S(=O)(N)O	C5329146
MACCS_32	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_32	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_32	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_32	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_32	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_32	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_32	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_32	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_32	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_32	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_32	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_32	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_32	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_32	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_32	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_32	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_32	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_32	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_32	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_32	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_32	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_32	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_32	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_32	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_32	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_32	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_32	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_32	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_32	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_32	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_32	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_32	O=c1ccsn1CCCCCCCC	C26530201
MACCS_32	O=c1[nH]sc2c1cccc2	C2634335
MACCS_32	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_32	O=c1n(C)sc(Cl)c1	C26172554
MACCS_32	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_32	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_32	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_32	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_32	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_32	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_32	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_32	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_32	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_32	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_32	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_32	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_32	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_32	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_32	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_32	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_32	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_32	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_32	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_32	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_32	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_32	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_32	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_32	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_32	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_32	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_32	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_32	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_32	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_32	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_32	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_32	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_32	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_32	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_32	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_32	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_32	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_32	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_32	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_32	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_32	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_32	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_32	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_32	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_32	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_33	C=CC#N	C107131
MACCS_33	C=CCO	C107186
MACCS_33	C=CCN=C=S	C57067
MACCS_33	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_33	C=CCc1ccc(cc1)OC	C140670
MACCS_33	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_33	C=Cc1ccc(cc1)C	C622979
MACCS_33	C=CC(Cl)CCl	C760236
MACCS_33	C=CC(=O)OCCO	C818611
MACCS_33	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_33	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_33	CC(=C)C#N	C126987
MACCS_33	O=C(OCCCC)C=C	C141322
MACCS_33	C=Cc1ccccc1C=C	C1321740
MACCS_33	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_33	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_33	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_33	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_33	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_33	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_33	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_33	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_33	CC(=C)C1CC=C(C)CC1	C138863
MACCS_33	OC(CCCCC)C=C	C3391864
MACCS_33	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_33	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_33	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_33	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_33	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_33	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_33	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_33	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_33	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_33	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_33	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_33	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_33	C=O	C50000
MACCS_33	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_33	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_33	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_33	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_33	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_33	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_33	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_33	NC(=O)C=C	C79061
MACCS_33	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_33	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_33	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_33	O=C1N(C=C)CCC1	C88120
MACCS_33	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_33	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_33	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_33	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_33	O=C(N)C(=C)C	C79390
MACCS_33	O=C(O)CCCCCCCCC=C	C112389
MACCS_33	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_33	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_33	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_33	C=CCCCCCCCCCCCC	C1120361
MACCS_33	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_33	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_33	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_33	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_33	O=CCCCCCCCCC=C	C112458
MACCS_33	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_33	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_33	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_33	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_33	O=C(OCCCCO)C=C	C2478106
MACCS_33	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_33	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_33	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_33	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_33	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_33	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_33	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_34	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_34	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_34	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_34	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_34	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_34	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_34	F[B-](F)(F)F.[Na+]	C13755298
MACCS_34	[Na+].[O-]C(=O)CF	C62748
MACCS_34	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_34	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_34	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_34	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_34	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_34	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_34	[O-]c1ccccc1.[Na+]	C139026
MACCS_34	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_34	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_34	O=C(CCl)[O-].[Na+]	C3926623
MACCS_34	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_34	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_34	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_34	[S-]C(=S)NC.[Na+]	C137428
MACCS_34	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_34	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_34	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_34	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_34	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_34	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_34	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_34	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_34	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_34	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_34	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_34	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_34	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_34	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_34	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_34	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_34	[Na]I	C7681825
MACCS_34	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_34	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_34	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_34	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_34	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_34	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_34	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_34	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_34	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_34	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_34	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_34	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_34	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_34	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_34	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_34	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_34	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_34	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_34	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_34	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_34	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_34	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_34	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_34	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_34	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_34	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_34	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_34	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_34	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_34	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_34	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_34	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_34	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_34	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_34	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_34	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_34	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_34	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_34	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_34	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_34	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_34	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_34	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_34	O=N[O-].[Na+]	C7632000
MACCS_34	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_34	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_34	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_34	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_34	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_34	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_34	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_34	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_34	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_34	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_34	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_34	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_34	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_34	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_34	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_34	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_34	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_34	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_34	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_34	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_34	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_34	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_34	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_34	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_34	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_34	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_34	[Na+].[O-][Cl]=O	C7758192
MACCS_34	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_34	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_34	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_34	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_34	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_34	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_34	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_34	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_34	N#C[Au-]C#N.[K+]	C13967505
MACCS_34	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_34	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_34	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_39	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_39	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_39	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_39	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_39	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_39	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_39	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_39	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_39	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_39	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_39	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_39	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_39	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_39	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_39	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_39	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_39	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_39	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_39	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_39	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_39	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_39	O=S(=O)(N)O	C5329146
MACCS_39	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_39	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_39	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_39	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_39	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_39	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_39	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_39	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_39	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_39	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_39	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_39	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_39	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_39	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_39	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_39	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_39	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_39	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_39	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_39	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_39	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_39	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_39	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_39	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_39	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_39	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_39	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_39	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_39	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_39	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_39	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_39	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_39	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_39	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_39	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_39	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_39	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_39	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_39	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_39	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_39	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_39	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_39	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_39	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_39	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_39	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_39	CS(=O)(=O)OC	C66273
MACCS_39	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_39	O=S1(=O)CCCO1	C1120714
MACCS_39	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_39	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_39	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_39	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_39	O=S(=O)(OCC)OCC	C64675
MACCS_39	O=S(=O)(OC)OC	C77781
MACCS_39	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_39	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_39	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_39	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_39	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_39	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_39	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_39	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_39	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_39	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_39	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_39	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_39	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_39	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_39	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_39	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_39	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_39	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_39	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_39	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_39	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_39	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_39	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_39	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_39	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_39	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_39	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_39	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_40	C=CC#N	C107131
MACCS_40	NC(=N)NC#N	C461585
MACCS_40	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_40	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_40	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_40	N#CCC#N	C109773
MACCS_40	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_40	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_40	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_40	CC(=C)C#N	C126987
MACCS_40	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_40	C(C)(C)(O)C#N	C75865
MACCS_40	N#CC(CCC#N)C	C4553622
MACCS_40	N#CC(C)C	C78820
MACCS_40	N#C[S-].[NH4+]	C1762954
MACCS_40	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_40	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_40	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_40	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_40	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_40	N#Cc1c(O)cccc1	C611201
MACCS_40	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_40	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_40	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_40	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_40	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_40	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_40	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_40	C(SC#N)SC#N	C6317186
MACCS_40	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_40	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_40	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_40	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_40	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_40	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_40	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_40	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_40	N#CN	C420042
MACCS_40	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_40	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_40	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_40	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_40	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_40	N#CCCCCC#N	C111693
MACCS_40	N#Cc1cnccc1	C100549
MACCS_40	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_40	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_40	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_40	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_40	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_40	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_40	N#CC(Br)Br	C3252435
MACCS_40	N#Cc1ccccc1	C100470
MACCS_40	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_40	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_40	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_40	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_40	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_40	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_40	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_40	N#CSCCCCCCCCCCCC	C765151
MACCS_40	N#C[Au-]C#N.[K+]	C13967505
MACCS_40	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_40	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_40	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_40	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_41	F[B-](F)(F)F.[Na+]	C13755298
MACCS_41	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_41	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_41	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_41	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_41	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_41	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_41	[Na+].[O-]C(=O)CF	C62748
MACCS_41	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_41	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_41	Brc1ccc(F)cc1	C460004
MACCS_41	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_41	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_41	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_41	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_41	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_41	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_41	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_41	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_41	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_41	O=C(CF)O	C144490
MACCS_41	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_41	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_41	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_41	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_41	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_41	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_41	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_41	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_41	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_41	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_41	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_41	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_41	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_41	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_41	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_41	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_41	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_41	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_41	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_41	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_41	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_41	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_41	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_41	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_41	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_41	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_41	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_41	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_41	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_41	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_41	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_41	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_41	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_41	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_41	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_41	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_41	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_41	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_41	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_41	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_41	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_41	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_41	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_41	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_41	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_41	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_41	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_41	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_41	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_41	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_41	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_41	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_41	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_41	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_41	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_41	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_41	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_41	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_41	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_41	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_41	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_41	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_41	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_41	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_41	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_41	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_41	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_41	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_41	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_41	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_41	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_41	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_41	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_41	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_41	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_41	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_41	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_41	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_41	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_41	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_41	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_41	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_41	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_41	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_41	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_41	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_41	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_41	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_41	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_41	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_41	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_41	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_41	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_41	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_41	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_41	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_41	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_41	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_41	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_41	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_41	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_41	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_41	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_41	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_41	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_41	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_41	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_41	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_41	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_41	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_41	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_41	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_41	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_41	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_41	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_41	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_41	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_41	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_41	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_41	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_41	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_41	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_41	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_41	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_41	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_41	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_41	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_41	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_41	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_41	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_41	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_41	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_41	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_41	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_41	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_41	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_41	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_41	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_41	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_41	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_41	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_41	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_41	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_41	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_41	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_41	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_41	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_41	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_41	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_41	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_41	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_44	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_44	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_44	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_44	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_44	O=C1N(C=C)CCC1	C88120
MACCS_44	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_44	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_44	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_45	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_45	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_45	BrCCBr	C106934
MACCS_45	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_45	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_45	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_45	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_45	Brc1ccc(F)cc1	C460004
MACCS_45	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_45	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_45	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_45	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_45	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_45	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_45	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_45	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_45	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_45	O=C(CBr)OCc1ccccc1	C5437456
MACCS_45	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_45	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_45	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_45	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_45	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_45	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_45	OCC(CO)(CBr)CBr	C3296900
MACCS_45	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_45	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_45	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_45	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_45	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_45	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_45	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_45	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_45	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_45	N#CC(Br)Br	C3252435
MACCS_45	OCCCBr	C627189
MACCS_45	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_45	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_45	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_45	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_45	Nc1ccc(Br)cc1	C106401
MACCS_45	Brc1ccccc1c1ccccc1	C2052075
MACCS_45	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_45	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_45	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_45	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_45	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_45	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_45	Br[Sn](CC)(CC)CC	C2767546
MACCS_45	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_45	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_45	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_45	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_45	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_45	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_45	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_45	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_45	BrCCCCCCCCCCCC	C143157
MACCS_45	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_45	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_45	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_46	C=CCN=C=S	C57067
MACCS_46	S=C(NCC)NCC	C105555
MACCS_46	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_46	NC(=S)N	C62566
MACCS_46	c1ccc2ncsc2c1	C95169
MACCS_46	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_46	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_46	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_46	NNC(=S)NN	C2231574
MACCS_46	[S-]C(=S)NC.[Na+]	C137428
MACCS_46	N#C[S-].[NH4+]	C1762954
MACCS_46	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_46	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_46	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_46	S=C(NC)NC	C534134
MACCS_46	NNC(=S)NC	C6610293
MACCS_46	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_46	S=C1NCCN1	C96457
MACCS_46	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_46	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_46	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_46	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_46	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_46	CSC(=NOC(=O)NC)C	C16752775
MACCS_46	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_46	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_46	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_46	CCCN(CCC)C(=O)SCC	C759944
MACCS_46	NP(=O)(OC)SC	C10265926
MACCS_46	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_46	O=C(SCC)N1CCCCCC1	C2212671
MACCS_46	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_46	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_46	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_46	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_46	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_46	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_46	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_46	CN1CN(C)CSC1=S	C533744
MACCS_46	C(SC#N)SC#N	C6317186
MACCS_46	S=C=NC	C556616
MACCS_46	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_46	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_46	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_46	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_46	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_46	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_46	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_46	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_46	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_46	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_46	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_46	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_46	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_46	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_46	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_46	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_46	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_46	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_46	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_46	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_46	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_46	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_46	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_46	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_46	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_46	Sc1nc2c(cccc2)s1	C149304
MACCS_46	[nH]1c(=S)n(cc1)C	C60560
MACCS_46	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_46	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_46	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_46	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_46	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_46	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_46	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_46	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_46	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_46	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_46	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_46	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_46	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_46	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_46	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_46	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_46	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_46	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_46	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_46	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_46	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_46	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_46	S=C(NCCCC)NCCCC	C109466
MACCS_46	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_46	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_46	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_46	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_46	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_46	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_46	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_46	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_46	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_46	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_46	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_46	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_46	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_46	N#CSCCCCCCCCCCCC	C765151
MACCS_46	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_46	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_46	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_46	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_46	S=C=NCCCSC	C505793
MACCS_47	C=CCN=C=S	C57067
MACCS_47	S=C(NCC)NCC	C105555
MACCS_47	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_47	NC(=S)N	C62566
MACCS_47	c1ccc2ncsc2c1	C95169
MACCS_47	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_47	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_47	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_47	NNC(=S)NN	C2231574
MACCS_47	[S-]C(=S)NC.[Na+]	C137428
MACCS_47	N#C[S-].[NH4+]	C1762954
MACCS_47	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_47	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_47	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_47	S=C(NC)NC	C534134
MACCS_47	NNC(=S)NC	C6610293
MACCS_47	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_47	S=C1NCCN1	C96457
MACCS_47	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_47	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_47	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_47	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_47	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_47	CSC(=NOC(=O)NC)C	C16752775
MACCS_47	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_47	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_47	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_47	CCCN(CCC)C(=O)SCC	C759944
MACCS_47	NP(=O)(OC)SC	C10265926
MACCS_47	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_47	O=C(SCC)N1CCCCCC1	C2212671
MACCS_47	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_47	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_47	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_47	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_47	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_47	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_47	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_47	CN1CN(C)CSC1=S	C533744
MACCS_47	C(SC#N)SC#N	C6317186
MACCS_47	S=C=NC	C556616
MACCS_47	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_47	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_47	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_47	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_47	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_47	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_47	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_47	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_47	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_47	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_47	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_47	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_47	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_47	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_47	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_47	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_47	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_47	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_47	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_47	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_47	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_47	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_47	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_47	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_47	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_47	Sc1nc2c(cccc2)s1	C149304
MACCS_47	[nH]1c(=S)n(cc1)C	C60560
MACCS_47	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_47	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_47	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_47	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_47	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_47	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_47	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_47	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_47	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_47	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_47	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_47	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_47	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_47	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_47	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_47	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_47	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_47	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_47	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_47	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_47	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_47	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_47	S=C(NCCCC)NCCCC	C109466
MACCS_47	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_47	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_47	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_47	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_47	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_47	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_47	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_47	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_47	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_47	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_47	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_47	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_47	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_47	N#CSCCCCCCCCCCCC	C765151
MACCS_47	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_47	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_47	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_47	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_47	S=C=NCCCSC	C505793
MACCS_48	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_48	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_48	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_48	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_48	O=[N+](CC)[O-]	C79243
MACCS_48	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_48	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_48	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_48	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_48	F[B-](F)(F)F.[Na+]	C13755298
MACCS_48	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_48	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_48	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_48	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_48	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_48	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_48	[Na+].[O-]C(=O)CF	C62748
MACCS_48	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_48	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_48	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_48	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_48	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_48	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_48	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_48	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_48	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_48	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_48	[O-]c1ccccc1.[Na+]	C139026
MACCS_48	O=C(N)[O-].[NH4+]	C1111780
MACCS_48	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_48	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_48	O=C(CCl)[O-].[Na+]	C3926623
MACCS_48	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_48	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_48	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_48	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_48	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_48	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_48	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_48	[S-]C(=S)NC.[Na+]	C137428
MACCS_48	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_48	N#C[S-].[NH4+]	C1762954
MACCS_48	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_48	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_48	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_48	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_48	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_48	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_48	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_48	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_48	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_48	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_48	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_48	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_48	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_48	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_48	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_48	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_48	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_48	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_48	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_48	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_48	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_48	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_48	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_48	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_48	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_48	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_48	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_48	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_48	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_48	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_48	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_48	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_48	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_48	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_48	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_48	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_48	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_48	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_48	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_48	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_48	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_48	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_48	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_48	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_48	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_48	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_48	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_48	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_48	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_48	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_48	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_48	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_48	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_48	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_48	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_48	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_48	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_48	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_48	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_48	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_48	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_48	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_48	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_48	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_48	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_48	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_48	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_48	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_48	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_48	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_48	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_48	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_48	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_48	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_48	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_48	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_48	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_48	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_48	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_48	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_48	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_48	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_48	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_48	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_48	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_48	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_48	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_48	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_48	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_48	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_48	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_48	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_48	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_48	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_48	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_48	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_48	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_48	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_48	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_48	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_48	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_48	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_48	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_48	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_48	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_48	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_48	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_48	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_48	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_48	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_48	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_48	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_48	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_48	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_48	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_48	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_48	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_48	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_48	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_48	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_48	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_48	[Hg+2].[Cl-].[Cl-]	C7487947
MACCS_48	O=N[O-].[Na+]	C7632000
MACCS_48	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_48	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_48	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_48	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_48	O=[N+](c1ccccc1)[O-]	C98953
MACCS_48	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_48	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_48	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_48	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_48	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_48	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_48	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_48	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_48	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_48	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_48	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_48	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_48	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_48	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_48	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_48	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_48	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_48	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_48	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_48	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_48	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_48	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_48	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_48	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_48	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_48	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_48	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_48	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_48	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_48	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_48	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_48	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_48	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_48	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_48	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_48	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_48	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_48	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_48	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_48	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_48	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_48	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_48	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_48	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_48	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_48	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_48	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_48	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_48	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_48	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_48	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_48	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_48	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_48	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_48	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_48	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_48	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_48	[Na+].[O-][Cl]=O	C7758192
MACCS_48	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_48	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_48	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_48	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_48	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_48	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_48	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_48	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_48	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_48	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_48	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_48	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_48	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_48	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_48	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_48	[Cl-].[Cd+2].[Cl-]	C10108642
MACCS_48	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_48	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_48	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_48	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_48	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_48	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_48	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_48	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_48	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_48	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_48	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_48	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_48	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_48	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_48	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_48	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_48	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_48	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_48	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_48	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_48	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_48	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_48	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_48	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_48	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_48	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_48	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_48	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_48	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_48	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_48	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_48	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_48	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_48	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_48	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_48	[Hg+2].[I-].[I-]	C7774290
MACCS_48	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_48	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_48	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_48	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_48	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_48	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_48	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_48	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_48	N#C[Au-]C#N.[K+]	C13967505
MACCS_48	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_48	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_48	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_48	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_48	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_48	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_48	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_49	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_49	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_49	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_49	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_49	O=[N+](CC)[O-]	C79243
MACCS_49	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_49	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_49	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_49	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_49	F[B-](F)(F)F.[Na+]	C13755298
MACCS_49	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_49	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_49	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_49	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_49	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_49	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_49	[Na+].[O-]C(=O)CF	C62748
MACCS_49	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_49	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_49	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_49	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_49	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_49	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_49	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_49	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_49	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_49	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_49	[O-]c1ccccc1.[Na+]	C139026
MACCS_49	O=C(N)[O-].[NH4+]	C1111780
MACCS_49	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_49	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_49	O=C(CCl)[O-].[Na+]	C3926623
MACCS_49	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_49	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_49	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_49	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_49	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_49	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_49	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_49	[S-]C(=S)NC.[Na+]	C137428
MACCS_49	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_49	N#C[S-].[NH4+]	C1762954
MACCS_49	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_49	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_49	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_49	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_49	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_49	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_49	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_49	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_49	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_49	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_49	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_49	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_49	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_49	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_49	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_49	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_49	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_49	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_49	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_49	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_49	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_49	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_49	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_49	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_49	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_49	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_49	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_49	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_49	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_49	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_49	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_49	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_49	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_49	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_49	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_49	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_49	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_49	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_49	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_49	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_49	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_49	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_49	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_49	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_49	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_49	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_49	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_49	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_49	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_49	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_49	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_49	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_49	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_49	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_49	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_49	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_49	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_49	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_49	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_49	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_49	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_49	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_49	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_49	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_49	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_49	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_49	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_49	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_49	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_49	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_49	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_49	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_49	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_49	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_49	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_49	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_49	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_49	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_49	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_49	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_49	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_49	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_49	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_49	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_49	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_49	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_49	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_49	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_49	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_49	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_49	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_49	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_49	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_49	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_49	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_49	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_49	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_49	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_49	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_49	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_49	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_49	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_49	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_49	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_49	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_49	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_49	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_49	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_49	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_49	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_49	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_49	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_49	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_49	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_49	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_49	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_49	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_49	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_49	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_49	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_49	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_49	[Hg+2].[Cl-].[Cl-]	C7487947
MACCS_49	O=N[O-].[Na+]	C7632000
MACCS_49	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_49	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_49	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_49	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_49	O=[N+](c1ccccc1)[O-]	C98953
MACCS_49	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_49	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_49	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_49	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_49	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_49	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_49	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_49	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_49	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_49	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_49	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_49	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_49	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_49	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_49	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_49	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_49	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_49	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_49	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_49	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_49	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_49	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_49	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_49	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_49	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_49	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_49	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_49	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_49	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_49	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_49	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_49	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_49	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_49	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_49	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_49	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_49	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_49	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_49	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_49	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_49	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_49	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_49	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_49	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_49	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_49	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_49	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_49	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_49	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_49	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_49	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_49	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_49	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_49	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_49	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_49	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_49	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_49	[Na+].[O-][Cl]=O	C7758192
MACCS_49	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_49	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_49	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_49	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_49	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_49	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_49	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_49	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_49	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_49	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_49	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_49	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_49	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_49	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_49	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_49	[Cl-].[Cd+2].[Cl-]	C10108642
MACCS_49	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_49	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_49	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_49	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_49	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_49	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_49	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_49	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_49	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_49	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_49	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_49	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_49	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_49	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_49	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_49	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_49	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_49	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_49	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_49	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_49	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_49	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_49	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_49	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_49	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_49	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_49	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_49	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_49	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_49	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_49	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_49	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_49	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_49	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_49	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_49	[Hg+2].[I-].[I-]	C7774290
MACCS_49	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_49	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_49	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_49	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_49	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_49	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_49	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_49	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_49	N#C[Au-]C#N.[K+]	C13967505
MACCS_49	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_49	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_49	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_49	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_49	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_49	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_49	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_50	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_50	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_50	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_50	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_50	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_50	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_50	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_50	CS(=O)C	C67685
MACCS_50	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_50	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_50	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_50	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_50	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_50	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_50	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_50	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_50	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_50	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_50	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_50	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_50	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_50	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_50	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_50	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_50	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_50	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_50	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_50	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_50	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_50	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_50	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_50	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_50	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_50	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_50	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_50	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_50	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_50	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_50	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_50	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_50	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_50	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_50	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_50	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_50	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_50	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_50	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_50	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_50	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_50	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_50	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_50	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_50	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_50	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_50	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_50	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_50	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_50	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_50	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_50	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_50	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_50	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_50	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_50	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_50	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_50	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_50	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_50	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_50	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_50	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_50	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_50	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_50	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_50	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_50	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_50	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_50	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_50	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_50	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_50	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_50	CS(=O)(=O)OC	C66273
MACCS_50	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_50	O=S1(=O)CCCO1	C1120714
MACCS_50	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_50	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_50	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_50	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_50	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_50	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_50	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_50	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_50	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_50	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_50	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_50	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_50	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_50	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_50	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_50	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_50	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_50	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_50	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_50	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_50	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_50	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_50	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_50	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_50	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_50	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_50	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_50	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_50	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_50	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_50	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_50	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_50	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_50	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_50	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_50	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_50	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_50	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_50	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_50	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_50	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_50	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_50	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_50	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_50	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_50	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_50	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_50	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_50	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_50	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_50	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_50	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_50	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_50	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_50	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_50	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_50	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_50	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_50	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_50	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_50	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_50	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_50	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_50	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_50	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_50	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_50	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_50	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_50	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_50	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_50	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_50	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_50	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_50	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_50	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_50	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_50	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_50	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_50	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_50	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_50	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_50	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_50	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_50	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_51	c1(nc[nH]n1)N	C61825
MACCS_51	[nH]1c2c(cccc2)nn1	C95147
MACCS_51	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_51	CN(C)N	C57147
MACCS_51	CN(C(=O)N)N=O	C684935
MACCS_51	CN(N=O)C	C62759
MACCS_51	O=NN1CCCC1	C930552
MACCS_51	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_51	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_51	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_51	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_51	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_51	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_51	O=C(N)N=NC(=O)N	C123773
MACCS_51	Cc1cccc2nn[nH]c12	C29385431
MACCS_51	NNC(=S)NN	C2231574
MACCS_51	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_51	OCn1nc(C)cc1C	C85264331
MACCS_51	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_51	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_51	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_51	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_51	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_51	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_51	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_51	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_51	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_51	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_51	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_51	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_51	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_51	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_51	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_51	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_51	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_51	NNC(=S)NC	C6610293
MACCS_51	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_51	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_51	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_51	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_51	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_51	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_51	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_51	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_51	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_51	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_51	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_51	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_51	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_51	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_51	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_51	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_51	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_51	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_51	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_51	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_51	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_51	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_51	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_51	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_51	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_51	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_51	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_51	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_51	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_51	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_51	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_51	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_51	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_51	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_51	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_51	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_51	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_51	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_51	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_51	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_51	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_51	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_51	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_51	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_51	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_51	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_51	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_51	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_51	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_51	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_51	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_51	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_51	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_51	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_51	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_51	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_51	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_51	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_51	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_51	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_51	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_51	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_51	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_51	O=C(c1ccncc1)NN	C54853
MACCS_51	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_51	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_51	O=NN(CCCC)CCCC	C924163
MACCS_51	CCN(CC)N=O	C55185
MACCS_51	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_51	O=NN(CCC)CCC	C621647
MACCS_51	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_51	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_51	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_51	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_51	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_51	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_51	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_51	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_51	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_51	[nH]1ncnc1	C288880
MACCS_51	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_51	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_51	Nn1cnnc1	C584134
MACCS_51	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_51	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_51	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_51	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_51	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_51	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_51	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_51	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_51	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_51	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_51	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_51	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_51	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_51	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_51	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_51	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_51	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_51	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_51	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_51	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_51	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_51	NNc1ccccc1.Cl	C59881
MACCS_51	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_51	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_51	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_51	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_51	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_51	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_51	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_51	NNC(=O)OCc1ccccc1	C5331431
MACCS_51	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_52	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_52	c1(nc[nH]n1)N	C61825
MACCS_52	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_52	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_52	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_52	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_52	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_52	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_52	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_52	c1(O)ccccc1C(=O)N	C65452
MACCS_52	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_52	CC(O)CC(C)(C)O	C107415
MACCS_52	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_52	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_52	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_52	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_52	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_52	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_52	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_52	NC(CO)(CO)CO	C77861
MACCS_52	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_52	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_52	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_52	OCNC(=O)NCO	C140954
MACCS_52	OCC(C(O)CCC)CC	C94962
MACCS_52	O=C(O)c1ccccc1O	C69727
MACCS_52	OCC(CO)(CO)CO	C115775
MACCS_52	OCC(C)(C)CO	C126307
MACCS_52	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_52	NNC(=S)NN	C2231574
MACCS_52	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_52	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_52	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_52	O=C1NC2NC(=O)NC2N1	C496468
MACCS_52	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_52	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_52	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_52	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_52	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_52	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_52	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_52	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_52	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_52	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_52	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_52	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_52	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_52	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_52	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_52	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_52	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_52	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_52	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_52	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_52	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_52	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_52	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_52	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_52	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_52	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_52	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_52	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_52	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_52	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_52	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_52	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_52	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_52	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_52	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_52	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_52	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_52	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_52	OCC(CO)(CBr)CBr	C3296900
MACCS_52	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_52	Nc1c(ccc(c1)N)C	C95807
MACCS_52	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_52	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_52	OCC(O)CO	C56815
MACCS_52	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_52	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_52	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_52	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_52	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_52	Nc1cc(ccc1)N	C108452
MACCS_52	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_52	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_52	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_52	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_52	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_52	Oc1cc(ccc1)O	C108463
MACCS_52	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_52	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_52	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_52	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_52	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_52	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_52	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_52	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_52	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_52	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_52	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_52	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_52	Oc1c(ccc(N)c1)C	C2835952
MACCS_52	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_52	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_52	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_52	OCCC(O)C	C107880
MACCS_52	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_52	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_52	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_52	O=C(O)C(O)CC(=O)O	C6915157
MACCS_52	OC(OC(O)CC)CC	C25265718
MACCS_52	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_52	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_52	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_52	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_52	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_52	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_52	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_52	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_52	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_52	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_52	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_52	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_52	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_52	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_52	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_52	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_52	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_52	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_52	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_52	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_52	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_52	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_52	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_52	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_52	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_52	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_52	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_52	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_52	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_52	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_52	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_52	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_52	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_52	OCc1c[nH]c2c1cccc2	C700061
MACCS_52	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_52	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_52	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_52	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_52	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_52	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_52	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_52	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_52	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_52	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_52	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_52	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_52	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_53	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_53	c1(nc[nH]n1)N	C61825
MACCS_53	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_53	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_53	CC(CNCC(C)O)O	C110974
MACCS_53	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_53	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_53	OC(CO)CCl	C96242
MACCS_53	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_53	OC(C)CN	C78966
MACCS_53	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_53	CCNCCO	C110736
MACCS_53	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_53	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_53	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_53	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_53	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_53	C(=O)(O)C(C)O	C50215
MACCS_53	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_53	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_53	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_53	NC(CO)(CO)CO	C77861
MACCS_53	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_53	N(CCN)CCN	C111400
MACCS_53	C(=O)(O)CO	C79141
MACCS_53	C(=O)(O)C(=O)O	C144627
MACCS_53	O=C(O)CS	C68111
MACCS_53	OCC(N)(C)C	C124685
MACCS_53	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_53	NNC(=S)NN	C2231574
MACCS_53	CC(CO)O	C25322694
MACCS_53	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_53	O=C1NC2NC(=O)NC2N1	C496468
MACCS_53	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_53	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_53	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_53	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_53	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_53	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_53	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_53	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_53	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_53	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_53	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_53	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_53	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_53	OC(CO)c1ccccc1	C93561
MACCS_53	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_53	NNC(=S)NC	C6610293
MACCS_53	NCCN.I.I	C5700492
MACCS_53	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_53	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_53	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_53	S=C1NCCN1	C96457
MACCS_53	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_53	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_53	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_53	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_53	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_53	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_53	Oc1c(cccc1)O	C120809
MACCS_53	Nc1c(ccc(c1)Cl)N	C95830
MACCS_53	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_53	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_53	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_53	C(CO)O	C107211
MACCS_53	OCC(O)CO	C56815
MACCS_53	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_53	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_53	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_53	C1CNCCN1	C110850
MACCS_53	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_53	CC(CO)O	C57556
MACCS_53	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_53	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_53	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_53	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_53	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_53	CC1(C)NC(=O)NC1=O	C77714
MACCS_53	OCCNCCO	C111422
MACCS_53	OCCN	C141435
MACCS_53	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_53	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_53	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_53	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_53	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_53	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_53	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_53	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_53	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_53	Nc1cc(C)ccc1N	C496720
MACCS_53	C(=O)(N)NO	C127071
MACCS_53	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_53	Nc1c(N)cccc1	C95545
MACCS_53	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_53	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_53	Nc1cccc(C)c1N	C2687254
MACCS_53	O=C(O)C(O)CC(=O)O	C6915157
MACCS_53	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_53	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_53	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_53	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_53	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_53	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_53	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_53	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_53	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_53	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_53	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_53	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_53	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_53	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_53	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_53	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_53	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_53	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_53	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_53	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_53	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_53	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_53	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_53	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_53	NCCN	C107153
MACCS_53	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_53	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_53	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_53	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_53	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_53	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_53	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_53	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_53	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_53	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_53	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_53	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_53	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_53	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_53	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_54	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_54	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_54	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_54	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_54	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_54	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_54	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_54	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_54	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_54	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_54	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_54	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_54	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_54	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_54	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_54	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_54	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_54	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_54	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_54	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_54	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_54	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_54	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_54	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_54	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_54	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_54	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_54	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_54	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_54	O=S(=O)(N)O	C5329146
MACCS_54	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_54	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_54	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_54	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_54	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_54	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_54	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_54	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_54	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_54	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_54	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_54	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_54	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_54	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_54	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_54	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_54	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_54	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_54	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_54	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_54	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_54	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_54	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_54	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_54	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_54	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_54	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_54	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_54	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_54	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_54	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_54	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_54	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_54	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_54	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_54	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_54	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_54	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_54	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_54	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_54	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_54	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_54	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_54	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_54	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_54	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_54	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_54	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_54	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_54	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_54	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_54	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_54	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_54	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_54	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_54	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_54	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_54	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_54	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_54	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_54	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_54	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_54	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_54	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_54	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_54	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_54	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_54	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_54	CS(=O)(=O)OC	C66273
MACCS_54	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_54	O=S1(=O)CCCO1	C1120714
MACCS_54	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_54	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_54	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_54	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_54	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_54	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_54	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_54	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_54	O=S(=O)(OCC)OCC	C64675
MACCS_54	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_54	O=S(=O)(OC)OC	C77781
MACCS_54	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_54	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_54	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_54	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_54	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_54	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_54	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_54	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_54	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_54	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_54	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_54	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_54	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_54	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_54	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_54	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_54	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_54	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_54	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_54	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_54	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_54	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_54	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_54	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_54	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_54	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_54	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_54	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_54	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_54	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_54	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_54	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_54	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_54	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_54	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_54	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_54	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_54	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_54	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_54	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_54	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_54	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_54	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_54	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_54	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_54	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_54	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_54	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_54	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_54	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_54	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_54	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_54	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_54	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_54	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_54	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_54	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_54	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_54	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_54	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_54	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_54	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_54	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_54	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_54	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_54	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_54	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_54	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_54	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_54	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_54	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_54	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_54	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_54	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_54	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_54	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_54	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_54	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_55	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_55	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_55	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_55	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_55	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_55	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_55	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_55	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_55	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_55	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_55	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_55	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_55	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_55	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_55	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_55	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_55	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_55	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_55	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_55	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_55	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_55	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_55	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_55	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_55	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_55	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_55	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_55	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_55	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_55	O=S(=O)(N)O	C5329146
MACCS_55	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_55	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_55	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_55	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_55	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_55	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_55	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_55	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_55	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_55	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_55	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_55	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_55	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_55	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_55	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_55	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_55	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_55	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_55	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_55	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_55	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_55	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_55	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_55	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_55	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_55	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_55	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_55	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_55	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_55	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_55	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_55	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_55	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_55	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_55	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_55	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_55	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_55	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_55	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_55	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_55	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_55	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_55	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_55	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_55	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_55	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_55	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_55	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_55	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_55	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_55	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_55	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_55	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_55	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_55	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_55	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_55	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_55	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_55	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_55	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_55	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_55	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_55	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_55	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_55	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_55	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_55	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_55	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_55	CS(=O)(=O)OC	C66273
MACCS_55	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_55	O=S1(=O)CCCO1	C1120714
MACCS_55	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_55	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_55	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_55	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_55	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_55	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_55	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_55	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_55	O=S(=O)(OCC)OCC	C64675
MACCS_55	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_55	O=S(=O)(OC)OC	C77781
MACCS_55	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_55	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_55	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_55	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_55	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_55	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_55	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_55	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_55	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_55	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_55	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_55	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_55	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_55	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_55	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_55	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_55	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_55	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_55	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_55	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_55	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_55	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_55	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_55	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_55	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_55	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_55	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_55	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_55	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_55	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_55	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_55	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_55	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_55	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_55	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_55	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_55	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_55	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_55	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_55	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_55	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_55	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_55	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_55	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_55	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_55	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_55	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_55	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_55	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_55	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_55	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_55	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_55	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_55	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_55	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_55	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_55	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_55	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_55	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_55	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_55	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_55	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_55	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_55	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_55	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_55	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_55	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_55	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_55	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_55	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_55	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_55	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_55	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_55	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_55	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_55	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_55	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_55	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_58	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_58	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_58	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_58	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_58	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_58	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_58	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_58	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_58	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_58	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_58	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_58	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_58	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_58	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_58	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_58	Sc1ccccc1	C108985
MACCS_58	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_58	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_58	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_58	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_58	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_58	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_58	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_58	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_58	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_58	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_58	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_58	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_58	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_58	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_58	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_58	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_58	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_58	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_58	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_58	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_58	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_58	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_58	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_58	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_58	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_58	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_58	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_58	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_58	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_58	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_58	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_58	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_58	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_58	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_58	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_58	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_58	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_58	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_58	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_58	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_58	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_58	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_58	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_58	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_58	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_58	Sc1ccc(C)cc1	C106456
MACCS_58	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_58	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_58	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_58	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_58	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_58	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_58	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_58	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_58	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_58	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_58	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_58	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_58	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_58	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_58	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_58	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_58	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_58	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_58	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_58	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_58	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_58	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_58	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_58	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_58	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_58	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_58	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_58	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_58	Sc1nc2c(cccc2)s1	C149304
MACCS_58	[nH]1c(=S)n(cc1)C	C60560
MACCS_58	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_58	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_58	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_58	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_58	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_58	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_58	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_58	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_58	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_58	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_58	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_58	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_58	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_58	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_58	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_58	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_58	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_58	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_58	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_58	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_58	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_58	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_58	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_58	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_58	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_58	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_58	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_58	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_58	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_58	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_58	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_58	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_58	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_58	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_58	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_58	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_58	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_58	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_58	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_58	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_58	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_58	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_58	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_58	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_58	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_58	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_58	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_58	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_58	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_58	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_58	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_58	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_58	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_58	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_58	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_58	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_58	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_58	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_58	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_58	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_58	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_58	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_58	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_58	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_58	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_58	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_58	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_58	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_58	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_58	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_58	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_58	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_58	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_58	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_58	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_58	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_58	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_58	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_58	c1(SSc2cccs2)cccs1	C6911519
MACCS_58	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_59	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_59	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_59	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_59	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_59	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_59	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_59	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_59	CS(=O)C	C67685
MACCS_59	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_59	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_59	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_59	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_59	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_59	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_59	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_59	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_59	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_59	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_59	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_59	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_59	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_59	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_59	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_59	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_59	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_59	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_59	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_59	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_59	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_59	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_59	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_59	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_59	O=S(=O)(N)O	C5329146
MACCS_59	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_59	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_59	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_59	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_59	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_59	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_59	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_59	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_59	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_59	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_59	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_59	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_59	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_59	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_59	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_59	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_59	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_59	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_59	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_59	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_59	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_59	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_59	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_59	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_59	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_59	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_59	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_59	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_59	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_59	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_59	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_59	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_59	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_59	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_59	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_59	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_59	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_59	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_59	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_59	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_59	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_59	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_59	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_59	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_59	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_59	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_59	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_59	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_59	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_59	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_59	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_59	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_59	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_59	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_59	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_59	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_59	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_59	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_59	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_59	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_59	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_59	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_59	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_59	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_59	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_59	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_59	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_59	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_59	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_59	CS(=O)(=O)OC	C66273
MACCS_59	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_59	O=S1(=O)CCCO1	C1120714
MACCS_59	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_59	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_59	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_59	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_59	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_59	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_59	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_59	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_59	O=S(=O)(OCC)OCC	C64675
MACCS_59	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_59	O=S(=O)(OC)OC	C77781
MACCS_59	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_59	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_59	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_59	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_59	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_59	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_59	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_59	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_59	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_59	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_59	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_59	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_59	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_59	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_59	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_59	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_59	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_59	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_59	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_59	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_59	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_59	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_59	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_59	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_59	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_59	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_59	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_59	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_59	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_59	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_59	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_59	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_59	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_59	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_59	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_59	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_59	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_59	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_59	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_59	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_59	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_59	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_59	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_59	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_59	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_59	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_59	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_59	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_59	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_59	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_59	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_59	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_59	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_59	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_59	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_59	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_59	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_59	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_59	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_59	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_59	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_59	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_59	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_59	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_59	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_59	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_59	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_59	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_59	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_59	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_59	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_59	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_59	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_59	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_59	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_59	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_59	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_59	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_59	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_59	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_59	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_59	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_60	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_60	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_60	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_60	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_60	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_60	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_60	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_60	CS(=O)C	C67685
MACCS_60	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_60	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_60	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_60	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_60	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_60	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_60	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_60	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_60	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_60	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_60	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_60	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_60	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_60	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_60	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_60	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_60	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_60	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_60	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_60	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_60	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_60	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_60	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_60	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_60	O=S(=O)(N)O	C5329146
MACCS_60	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_60	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_60	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_60	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_60	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_60	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_60	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_60	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_60	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_60	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_60	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_60	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_60	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_60	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_60	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_60	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_60	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_60	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_60	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_60	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_60	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_60	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_60	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_60	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_60	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_60	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_60	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_60	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_60	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_60	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_60	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_60	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_60	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_60	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_60	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_60	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_60	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_60	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_60	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_60	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_60	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_60	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_60	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_60	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_60	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_60	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_60	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_60	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_60	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_60	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_60	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_60	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_60	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_60	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_60	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_60	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_60	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_60	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_60	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_60	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_60	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_60	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_60	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_60	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_60	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_60	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_60	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_60	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_60	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_60	CS(=O)(=O)OC	C66273
MACCS_60	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_60	O=S1(=O)CCCO1	C1120714
MACCS_60	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_60	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_60	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_60	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_60	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_60	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_60	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_60	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_60	O=S(=O)(OCC)OCC	C64675
MACCS_60	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_60	O=S(=O)(OC)OC	C77781
MACCS_60	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_60	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_60	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_60	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_60	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_60	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_60	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_60	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_60	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_60	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_60	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_60	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_60	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_60	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_60	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_60	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_60	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_60	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_60	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_60	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_60	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_60	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_60	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_60	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_60	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_60	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_60	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_60	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_60	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_60	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_60	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_60	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_60	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_60	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_60	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_60	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_60	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_60	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_60	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_60	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_60	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_60	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_60	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_60	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_60	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_60	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_60	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_60	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_60	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_60	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_60	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_60	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_60	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_60	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_60	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_60	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_60	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_60	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_60	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_60	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_60	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_60	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_60	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_60	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_60	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_60	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_60	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_60	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_60	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_60	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_60	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_60	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_60	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_60	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_60	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_60	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_60	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_60	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_60	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_60	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_60	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_60	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_61	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_61	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_61	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_61	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_61	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_61	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_61	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_61	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_61	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_61	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_61	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_61	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_61	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_61	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_61	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_61	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_61	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_61	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_61	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_61	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_61	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_61	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_61	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_61	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_61	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_61	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_61	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_61	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_61	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_61	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_61	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_61	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_61	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_61	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_61	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_61	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_61	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_61	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_61	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_61	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_61	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_61	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_61	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_61	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_61	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_61	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_61	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_61	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_61	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_61	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_61	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_61	Oc1c(cccc1)c1ccccc1	C90437
MACCS_61	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_61	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_61	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_61	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_61	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_61	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_61	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_61	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_61	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_61	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_61	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_61	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_61	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_61	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_61	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_61	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_61	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_61	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_61	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_61	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_61	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_61	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_61	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_61	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_61	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_61	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_61	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_61	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_61	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_61	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_61	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_61	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_61	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_61	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_61	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_61	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_61	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_61	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_61	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_61	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_61	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_61	c1c(cccc1)c1ccccc1	C92524
MACCS_61	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_61	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_61	O1C2C1CCC(C2)C1CO1	C106876
MACCS_61	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_61	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_61	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_61	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_61	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_61	C1C(c2ccccc2)O1	C96093
MACCS_61	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_61	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_61	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_61	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_61	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_61	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_61	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_61	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_61	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_61	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_61	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_61	c1(c2ccncc2)ccncc1	C553264
MACCS_61	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_61	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_61	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_61	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_61	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_61	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_61	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_61	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_61	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_61	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_61	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_61	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_61	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_61	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_61	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_61	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_61	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_61	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_61	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_61	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_61	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_61	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_61	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_61	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_61	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_61	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_61	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_61	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_61	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_61	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_61	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_61	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_61	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_61	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_61	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_61	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_61	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_61	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_61	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_61	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_61	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_61	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_61	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_61	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_61	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_61	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_61	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_61	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_61	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_61	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_61	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_61	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_61	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_61	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_61	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_61	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_61	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_61	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_61	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_61	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_61	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_61	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_61	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_61	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_61	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_61	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_61	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_61	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_61	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_61	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_61	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_61	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_61	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_61	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_61	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_61	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_61	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_61	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_61	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_61	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_61	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_61	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_61	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_61	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_61	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_61	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_61	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_61	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_61	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_61	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_61	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_61	Brc1ccccc1c1ccccc1	C2052075
MACCS_61	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_61	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_61	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_61	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_61	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_61	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_61	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_61	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_61	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_61	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_61	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_61	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_61	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_61	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_61	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_61	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_61	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_61	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_61	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_62	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_62	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_62	O=[N+](CC)[O-]	C79243
MACCS_62	CN(C(=O)N)N=O	C684935
MACCS_62	CN(N=O)C	C62759
MACCS_62	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_62	O=NN1CCCC1	C930552
MACCS_62	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_62	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_62	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_62	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_62	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_62	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_62	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_62	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_62	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_62	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_62	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_62	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_62	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_62	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_62	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_62	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_62	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_62	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_62	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_62	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_62	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_62	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_62	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_62	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_62	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_62	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_62	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_62	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_62	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_62	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_62	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_62	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_62	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_62	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_62	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_62	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_62	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_62	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_62	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_62	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_62	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_62	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_62	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_62	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_62	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_62	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_62	O=N[O-].[Na+]	C7632000
MACCS_62	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_62	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_62	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_62	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_62	O=[N+](c1ccccc1)[O-]	C98953
MACCS_62	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_62	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_62	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_62	O=NN(CCCC)CCCC	C924163
MACCS_62	CCN(CC)N=O	C55185
MACCS_62	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_62	O=NN(CCC)CCC	C621647
MACCS_62	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_62	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_62	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_62	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_62	O=N(=O)c1ccc(C)cc1	C99990
MACCS_62	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_62	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_62	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_62	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_62	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_62	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_62	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_62	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_62	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_62	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_62	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_62	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_62	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_62	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_62	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_62	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_62	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_62	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_62	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_62	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_62	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_62	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_62	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_62	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_62	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_62	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_62	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_62	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_62	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_62	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_62	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_62	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_62	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_62	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_62	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_62	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_62	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_62	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_62	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_62	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_62	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_62	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_62	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_62	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_62	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_62	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_62	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_62	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_62	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_62	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_62	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_63	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_63	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_63	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_63	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_63	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_63	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_63	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_63	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_63	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_63	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_63	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_63	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_63	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_63	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_63	Sc1ccccc1	C108985
MACCS_63	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_63	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_63	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_63	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_63	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_63	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_63	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_63	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_63	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_63	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_63	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_63	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_63	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_63	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_63	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_63	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_63	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_63	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_63	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_63	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_63	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_63	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_63	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_63	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_63	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_63	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_63	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_63	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_63	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_63	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_63	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_63	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_63	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_63	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_63	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_63	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_63	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_63	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_63	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_63	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_63	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_63	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_63	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_63	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_63	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_63	Sc1ccc(C)cc1	C106456
MACCS_63	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_63	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_63	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_63	S=C1NCCN1	C96457
MACCS_63	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_63	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_63	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_63	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_63	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_63	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_63	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_63	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_63	CN1CN(C)CSC1=S	C533744
MACCS_63	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_63	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_63	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_63	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_63	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_63	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_63	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_63	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_63	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_63	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_63	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_63	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_63	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_63	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_63	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_63	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_63	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_63	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_63	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_63	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_63	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_63	Sc1nc2c(cccc2)s1	C149304
MACCS_63	[nH]1c(=S)n(cc1)C	C60560
MACCS_63	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_63	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_63	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_63	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_63	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_63	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_63	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_63	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_63	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_63	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_63	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_63	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_63	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_63	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_63	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_63	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_63	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_63	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_63	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_63	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_63	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_63	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_63	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_63	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_63	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_63	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_63	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_63	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_63	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_63	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_63	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_63	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_63	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_63	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_63	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_63	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_63	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_63	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_63	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_63	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_63	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_63	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_63	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_63	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_63	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_63	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_63	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_63	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_63	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_63	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_63	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_63	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_63	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_63	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_63	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_63	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_63	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_63	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_63	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_63	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_63	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_63	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_63	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_63	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_63	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_63	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_63	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_63	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_63	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_63	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_63	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_63	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_63	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_63	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_63	SC1CCCC1	C1679078
MACCS_63	c1(SSc2cccs2)cccs1	C6911519
MACCS_63	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_64	c1(nc[nH]n1)N	C61825
MACCS_64	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_64	[nH]1c2c(cccc2)nn1	C95147
MACCS_64	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_64	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_64	c1cccc2[nH]ccc12	C120729
MACCS_64	NC(=O)c1cccnc1	C98920
MACCS_64	OC(=O)c1cccnc1	C59676
MACCS_64	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_64	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_64	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_64	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_64	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_64	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_64	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_64	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_64	c1ccc2ncsc2c1	C95169
MACCS_64	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_64	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_64	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_64	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_64	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_64	c12ncccc1ccc1c2nccc1	C66717
MACCS_64	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_64	Cc1cccc2nn[nH]c12	C29385431
MACCS_64	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_64	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_64	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_64	n1c[nH]cc1	C288324
MACCS_64	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_64	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_64	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_64	OCn1nc(C)cc1C	C85264331
MACCS_64	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_64	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_64	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_64	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_64	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_64	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_64	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_64	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_64	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_64	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_64	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_64	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_64	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_64	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_64	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_64	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_64	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_64	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_64	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_64	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_64	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_64	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_64	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_64	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_64	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_64	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_64	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_64	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_64	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_64	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_64	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_64	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_64	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_64	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_64	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_64	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_64	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_64	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_64	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_64	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_64	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_64	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_64	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_64	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_64	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_64	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_64	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_64	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_64	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_64	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_64	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_64	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_64	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_64	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_64	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_64	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_64	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_64	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_64	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_64	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_64	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_64	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_64	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_64	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_64	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_64	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_64	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_64	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_64	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_64	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_64	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_64	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_64	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_64	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_64	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_64	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_64	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_64	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_64	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_64	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_64	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_64	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_64	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_64	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_64	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_64	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_64	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_64	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_64	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_64	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_64	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_64	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_64	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_64	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_64	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_64	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_64	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_64	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_64	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_64	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_64	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_64	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_64	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_64	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_64	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_64	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_64	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_64	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_64	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_64	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_64	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_64	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_64	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_64	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_64	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_64	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_64	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_64	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_64	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_64	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_64	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_64	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_64	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_64	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_64	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_64	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_64	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_64	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_64	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_64	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_64	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_64	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_64	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_64	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_64	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_64	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_64	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_64	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_64	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_64	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_64	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_64	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_64	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_64	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_64	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_64	Oc1cccc2cccnc12	C148243
MACCS_64	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_64	O=C(c1ccncc1)NN	C54853
MACCS_64	Sc1nc2c(cccc2)s1	C149304
MACCS_64	[nH]1c(=S)n(cc1)C	C60560
MACCS_64	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_64	Cc1cc2cccnc2cc1	C91623
MACCS_64	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_64	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_64	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_64	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_64	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_64	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_64	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_64	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_64	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_64	n1cccc2c1cccc2	C91225
MACCS_64	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_64	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_64	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_64	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_64	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_64	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_64	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_64	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_64	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_64	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_64	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_64	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_64	O=c1ccsn1CCCCCCCC	C26530201
MACCS_64	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_64	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_64	N#Cc1cnccc1	C100549
MACCS_64	[nH]1ncnc1	C288880
MACCS_64	c1(c2ccncc2)ccncc1	C553264
MACCS_64	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_64	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_64	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_64	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_64	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_64	O=c1[nH]sc2c1cccc2	C2634335
MACCS_64	Nn1cnnc1	C584134
MACCS_64	O=c1n(C)sc(Cl)c1	C26172554
MACCS_64	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_64	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_64	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_64	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_64	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_64	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_64	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_64	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_64	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_64	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_64	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_64	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_64	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_64	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_64	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_64	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_64	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_64	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_64	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_64	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_64	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_64	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_64	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_64	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_64	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_64	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_64	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_64	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_64	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_64	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_64	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_64	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_64	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_64	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_64	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_64	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_64	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_64	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_64	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_64	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_64	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_64	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_64	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_64	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_64	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_64	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_64	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_64	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_64	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_64	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_64	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_64	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_64	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_64	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_64	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_64	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_64	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_64	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_64	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_64	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_64	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_64	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_64	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_64	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_64	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_64	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_64	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_64	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_64	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_64	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_64	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_64	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_64	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_64	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_64	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_64	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_64	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_64	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_64	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_64	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_64	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_64	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_64	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_64	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_64	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_64	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_64	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_64	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_64	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_64	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_64	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_64	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_64	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_64	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_64	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_64	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_64	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_64	n1cc(C)ccc1	C108996
MACCS_64	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_64	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_64	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_64	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_64	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_64	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_64	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_64	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_64	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_64	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_64	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_64	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_64	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_64	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_64	c12ccccc1ccc1c2cccn1	C85029
MACCS_64	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_64	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_64	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_64	OCc1c[nH]c2c1cccc2	C700061
MACCS_64	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_64	O=c1cc(C)o[nH]1	C10004441
MACCS_64	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_64	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_64	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_64	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_64	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_64	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_64	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_64	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_64	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_64	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_64	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_64	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_64	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_64	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_64	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_64	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_64	Nc1cccc(C)n1	C1824813
MACCS_64	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_64	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_64	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_64	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_64	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_65	c1(nc[nH]n1)N	C61825
MACCS_65	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_65	[nH]1c2c(cccc2)nn1	C95147
MACCS_65	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_65	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_65	c1cccc2[nH]ccc12	C120729
MACCS_65	NC(=O)c1cccnc1	C98920
MACCS_65	OC(=O)c1cccnc1	C59676
MACCS_65	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_65	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_65	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_65	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_65	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_65	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_65	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_65	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_65	c1ccc2ncsc2c1	C95169
MACCS_65	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_65	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_65	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_65	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_65	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_65	c12ncccc1ccc1c2nccc1	C66717
MACCS_65	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_65	Cc1cccc2nn[nH]c12	C29385431
MACCS_65	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_65	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_65	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_65	n1c[nH]cc1	C288324
MACCS_65	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_65	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_65	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_65	OCn1nc(C)cc1C	C85264331
MACCS_65	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_65	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_65	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_65	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_65	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_65	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_65	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_65	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_65	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_65	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_65	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_65	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_65	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_65	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_65	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_65	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_65	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_65	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_65	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_65	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_65	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_65	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_65	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_65	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_65	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_65	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_65	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_65	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_65	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_65	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_65	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_65	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_65	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_65	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_65	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_65	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_65	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_65	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_65	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_65	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_65	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_65	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_65	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_65	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_65	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_65	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_65	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_65	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_65	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_65	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_65	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_65	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_65	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_65	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_65	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_65	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_65	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_65	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_65	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_65	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_65	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_65	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_65	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_65	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_65	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_65	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_65	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_65	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_65	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_65	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_65	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_65	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_65	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_65	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_65	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_65	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_65	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_65	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_65	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_65	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_65	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_65	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_65	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_65	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_65	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_65	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_65	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_65	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_65	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_65	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_65	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_65	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_65	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_65	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_65	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_65	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_65	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_65	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_65	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_65	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_65	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_65	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_65	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_65	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_65	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_65	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_65	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_65	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_65	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_65	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_65	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_65	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_65	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_65	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_65	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_65	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_65	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_65	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_65	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_65	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_65	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_65	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_65	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_65	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_65	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_65	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_65	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_65	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_65	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_65	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_65	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_65	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_65	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_65	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_65	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_65	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_65	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_65	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_65	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_65	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_65	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_65	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_65	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_65	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_65	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_65	Oc1cccc2cccnc12	C148243
MACCS_65	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_65	O=C(c1ccncc1)NN	C54853
MACCS_65	Sc1nc2c(cccc2)s1	C149304
MACCS_65	[nH]1c(=S)n(cc1)C	C60560
MACCS_65	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_65	Cc1cc2cccnc2cc1	C91623
MACCS_65	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_65	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_65	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_65	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_65	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_65	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_65	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_65	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_65	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_65	n1cccc2c1cccc2	C91225
MACCS_65	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_65	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_65	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_65	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_65	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_65	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_65	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_65	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_65	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_65	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_65	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_65	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_65	O=c1ccsn1CCCCCCCC	C26530201
MACCS_65	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_65	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_65	N#Cc1cnccc1	C100549
MACCS_65	[nH]1ncnc1	C288880
MACCS_65	c1(c2ccncc2)ccncc1	C553264
MACCS_65	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_65	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_65	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_65	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_65	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_65	O=c1[nH]sc2c1cccc2	C2634335
MACCS_65	Nn1cnnc1	C584134
MACCS_65	O=c1n(C)sc(Cl)c1	C26172554
MACCS_65	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_65	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_65	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_65	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_65	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_65	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_65	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_65	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_65	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_65	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_65	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_65	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_65	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_65	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_65	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_65	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_65	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_65	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_65	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_65	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_65	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_65	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_65	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_65	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_65	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_65	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_65	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_65	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_65	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_65	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_65	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_65	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_65	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_65	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_65	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_65	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_65	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_65	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_65	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_65	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_65	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_65	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_65	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_65	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_65	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_65	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_65	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_65	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_65	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_65	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_65	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_65	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_65	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_65	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_65	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_65	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_65	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_65	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_65	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_65	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_65	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_65	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_65	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_65	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_65	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_65	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_65	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_65	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_65	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_65	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_65	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_65	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_65	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_65	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_65	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_65	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_65	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_65	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_65	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_65	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_65	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_65	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_65	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_65	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_65	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_65	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_65	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_65	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_65	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_65	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_65	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_65	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_65	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_65	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_65	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_65	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_65	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_65	n1cc(C)ccc1	C108996
MACCS_65	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_65	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_65	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_65	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_65	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_65	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_65	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_65	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_65	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_65	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_65	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_65	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_65	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_65	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_65	c12ccccc1ccc1c2cccn1	C85029
MACCS_65	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_65	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_65	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_65	OCc1c[nH]c2c1cccc2	C700061
MACCS_65	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_65	O=c1cc(C)o[nH]1	C10004441
MACCS_65	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_65	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_65	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_65	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_65	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_65	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_65	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_65	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_65	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_65	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_65	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_65	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_65	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_65	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_65	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_65	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_65	Nc1cccc(C)n1	C1824813
MACCS_65	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_65	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_65	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_65	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_65	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_67	NNC(=S)NN	C2231574
MACCS_67	NNC(=S)NC	C6610293
MACCS_67	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_67	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_67	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_67	O=C(c1ccncc1)NN	C54853
MACCS_67	C(=O)(N)NO	C127071
MACCS_67	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_67	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_67	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_67	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_67	NNc1ccccc1.Cl	C59881
MACCS_67	NNC(=O)OCc1ccccc1	C5331431
MACCS_68	c1(nc[nH]n1)N	C61825
MACCS_68	[nH]1c2c(cccc2)nn1	C95147
MACCS_68	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_68	CN(C)N	C57147
MACCS_68	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_68	ON=C1CCCCC1	C100641
MACCS_68	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_68	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_68	OP(=O)(O)O	C7664382
MACCS_68	ON=CCCC	C110690
MACCS_68	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_68	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_68	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_68	Cc1cccc2nn[nH]c12	C29385431
MACCS_68	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_68	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_68	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_68	NNC(=S)NN	C2231574
MACCS_68	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_68	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_68	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_68	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_68	O=S(=O)(N)O	C5329146
MACCS_68	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_68	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_68	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_68	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_68	OP(OCC)OCC	C762049
MACCS_68	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_68	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_68	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_68	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_68	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_68	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_68	NNC(=S)NC	C6610293
MACCS_68	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_68	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_68	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_68	OB(O)O	C10043353
MACCS_68	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_68	C[As](=O)(C)O	C75605
MACCS_68	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_68	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_68	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_68	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_68	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_68	ClCCP(=O)(O)O	C16672870
MACCS_68	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_68	NP(=O)(OC)SC	C10265926
MACCS_68	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_68	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_68	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_68	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_68	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_68	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_68	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_68	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_68	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_68	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_68	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_68	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_68	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_68	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_68	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_68	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_68	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_68	O=C(c1ccncc1)NN	C54853
MACCS_68	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_68	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_68	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_68	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_68	CCC(=NO)C	C96297
MACCS_68	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_68	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_68	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_68	ON=CC(C)(C)SC	C1646759
MACCS_68	O(O)C(c1ccccc1)(C)C	C80159
MACCS_68	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_68	C(=O)(N)NO	C127071
MACCS_68	[nH]1ncnc1	C288880
MACCS_68	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_68	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_68	O=c1[nH]sc2c1cccc2	C2634335
MACCS_68	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_68	Nn1cnnc1	C584134
MACCS_68	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_68	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_68	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_68	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_68	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_68	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_68	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_68	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_68	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_68	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_68	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_68	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_68	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_68	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_68	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_68	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_68	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_68	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_68	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_68	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_68	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_68	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_68	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_68	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_68	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_68	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_68	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_68	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_68	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_68	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_68	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_68	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_68	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_68	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_68	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_68	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_68	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_68	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_68	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_68	NNc1ccccc1.Cl	C59881
MACCS_68	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_68	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_68	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_68	O=c1cc(C)o[nH]1	C10004441
MACCS_68	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_68	O=P(OCCCC)(O)OCCCC	C107664
MACCS_68	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_68	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_68	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_68	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_68	NNC(=O)OCc1ccccc1	C5331431
MACCS_68	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_70	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_70	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_70	O=[N+](CC)[O-]	C79243
MACCS_70	CN(C(=O)N)N=O	C684935
MACCS_70	CN(N=O)C	C62759
MACCS_70	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_70	O=NN1CCCC1	C930552
MACCS_70	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_70	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_70	ON=C1CCCCC1	C100641
MACCS_70	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_70	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_70	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_70	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_70	ON=CCCC	C110690
MACCS_70	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_70	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_70	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_70	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_70	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_70	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_70	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_70	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_70	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_70	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_70	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_70	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_70	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_70	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_70	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_70	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_70	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_70	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_70	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_70	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_70	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_70	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_70	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_70	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_70	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_70	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_70	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_70	CSC(=NOC(=O)NC)C	C16752775
MACCS_70	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_70	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_70	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_70	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_70	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_70	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_70	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_70	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_70	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_70	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_70	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_70	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_70	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_70	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_70	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_70	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_70	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_70	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_70	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_70	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_70	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_70	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_70	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_70	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_70	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_70	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_70	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_70	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_70	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_70	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_70	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_70	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_70	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_70	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_70	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_70	O=N[O-].[Na+]	C7632000
MACCS_70	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_70	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_70	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_70	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_70	O=[N+](c1ccccc1)[O-]	C98953
MACCS_70	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_70	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_70	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_70	O=NN(CCCC)CCCC	C924163
MACCS_70	CCN(CC)N=O	C55185
MACCS_70	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_70	O=NN(CCC)CCC	C621647
MACCS_70	CCC(=NO)C	C96297
MACCS_70	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_70	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_70	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_70	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_70	O=N(=O)c1ccc(C)cc1	C99990
MACCS_70	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_70	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_70	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_70	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_70	ON=CC(C)(C)SC	C1646759
MACCS_70	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_70	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_70	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_70	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_70	C(=O)(N)NO	C127071
MACCS_70	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_70	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_70	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_70	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_70	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_70	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_70	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_70	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_70	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_70	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_70	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_70	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_70	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_70	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_70	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_70	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_70	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_70	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_70	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_70	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_70	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_70	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_70	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_70	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_70	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_70	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_70	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_70	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_70	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_70	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_70	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_70	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_70	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_70	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_70	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_70	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_70	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_70	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_70	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_70	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_70	O=c1cc(C)o[nH]1	C10004441
MACCS_70	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_70	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_70	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_70	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_70	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_70	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_70	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_70	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_70	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_70	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_70	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_70	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_70	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_70	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_70	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_70	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_70	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_70	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_70	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_70	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_71	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_71	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_71	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_71	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_71	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_71	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_71	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_71	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_71	OC(CO)CCl	C96242
MACCS_71	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_71	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_71	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_71	OCCOCCOCCOCCCC	C143226
MACCS_71	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_71	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_71	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_71	C=CC(=O)OCCO	C818611
MACCS_71	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_71	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_71	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_71	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_71	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_71	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_71	c1cccc(OC)c1O	C90051
MACCS_71	C(=O)(O)C(C)O	C50215
MACCS_71	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_71	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_71	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_71	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_71	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_71	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_71	CC(O)COC	C107982
MACCS_71	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_71	C(OCCCC)C1CO1	C2426086
MACCS_71	c1c(CO)occ1	C98000
MACCS_71	C(=O)(O)CO	C79141
MACCS_71	C(=O)(O)C(=O)O	C144627
MACCS_71	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_71	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_71	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_71	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_71	O=C1OCC(C)O1	C108327
MACCS_71	O=C(C)OCCOC(=O)C	C111557
MACCS_71	O=C(C)OCCOCCCC	C112072
MACCS_71	OCCOCCOCCOC	C112356
MACCS_71	OCCOCCOCCOCCO	C112607
MACCS_71	OC(C)COc1ccccc1	C770354
MACCS_71	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_71	OCCOCCOCCOCCOCCCC	C1559348
MACCS_71	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_71	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_71	OCCOCCC	C2807309
MACCS_71	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_71	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_71	CC(CO)O	C25322694
MACCS_71	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_71	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_71	OCC1OCCC1	C97994
MACCS_71	OC(C)COCCC	C1569013
MACCS_71	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_71	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_71	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_71	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_71	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_71	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_71	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_71	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_71	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_71	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_71	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_71	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_71	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_71	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_71	O=C1OCC(CC)O1	C4437858
MACCS_71	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_71	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_71	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_71	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_71	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_71	CC(O)COCC	C1569024
MACCS_71	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_71	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_71	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_71	O=c1ccoc(CC)c1O	C4940118
MACCS_71	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_71	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_71	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_71	OCCOCC(CC)CCCC	C1559359
MACCS_71	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_71	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_71	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_71	OC(C)C(=O)OCCCC	C138227
MACCS_71	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_71	Oc1c(OCC)cccc1	C94713
MACCS_71	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_71	OC(CO)c1ccccc1	C93561
MACCS_71	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_71	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_71	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_71	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_71	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_71	OCCOCC(C)OCCO	C9003116
MACCS_71	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_71	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_71	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_71	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_71	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_71	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_71	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_71	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_71	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_71	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_71	c1ccccc1OCCO	C122996
MACCS_71	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_71	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_71	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_71	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_71	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_71	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_71	OCCOC	C109864
MACCS_71	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_71	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_71	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_71	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_71	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_71	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_71	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_71	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_71	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_71	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_71	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_71	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_71	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_71	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_71	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_71	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_71	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_71	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_71	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_71	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_71	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_71	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_71	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_71	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_71	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_71	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_71	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_71	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_71	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_71	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_71	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_71	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_71	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_71	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_71	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_71	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_71	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_71	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_71	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_71	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_71	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_71	Oc1c(cccc1)O	C120809
MACCS_71	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_71	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_71	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_71	OCCOCCO	C111466
MACCS_71	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_71	C(CO)O	C107211
MACCS_71	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_71	O=Cc1ccco1	C98011
MACCS_71	OCC(O)CO	C56815
MACCS_71	OCC1CO1	C556525
MACCS_71	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_71	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_71	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_71	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_71	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_71	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_71	CC(CO)O	C57556
MACCS_71	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_71	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_71	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_71	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_71	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_71	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_71	OCCOCCOCCO	C112276
MACCS_71	CCCCOCCOCCO	C112345
MACCS_71	CC(=O)OCCOCC	C111159
MACCS_71	CCOCCOCCO	C111900
MACCS_71	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_71	Oc1ccc(C=CC)cc1OC	C97541
MACCS_71	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_71	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_71	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_71	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_71	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_71	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_71	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_71	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_71	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_71	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_71	CCOCCO	C110805
MACCS_71	CCCCOCCO	C111762
MACCS_71	OCCOCCOCCOCC	C112505
MACCS_71	O(CCOC)CCOC	C111966
MACCS_71	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_71	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_71	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_71	O(CCOC)CCO	C111773
MACCS_71	C(=O)(N)NO	C127071
MACCS_71	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_71	o1c(C)c(O)c(=O)cc1	C118718
MACCS_71	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_71	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_71	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_71	C(OCCOC)COCCOC	C112492
MACCS_71	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_71	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_71	OCCOCCCCCC	C112254
MACCS_71	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_71	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_71	O=C(O)C(O)CC(=O)O	C6915157
MACCS_71	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_71	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_71	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_71	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_71	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_71	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_71	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_71	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_71	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_71	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_71	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_71	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_71	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_71	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_71	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_71	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_71	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_71	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_71	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_71	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_71	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_71	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_71	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_71	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_71	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_71	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_71	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_71	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_71	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_71	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_71	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_71	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_71	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_71	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_71	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_71	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_71	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_71	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_71	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_71	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_71	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_71	NCCOCCOCCN	C929599
MACCS_71	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_71	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_71	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_71	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_71	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_71	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_71	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_71	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_71	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_71	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_71	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_71	CC(=O)C(=O)O	C127173
MACCS_71	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_71	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_71	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_71	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_71	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_71	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_71	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_71	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_71	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_71	O=c1cc(C)o[nH]1	C10004441
MACCS_71	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_71	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_71	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_71	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_71	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_71	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_71	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_71	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_71	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_71	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_71	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_71	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_71	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_71	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_71	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_71	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_71	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_71	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_71	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_71	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_71	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_71	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_71	CCC(=O)C(=O)CC	C4437518
MACCS_72	C=CCN=C=S	C57067
MACCS_72	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_72	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_72	S=C(NCC)NCC	C105555
MACCS_72	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_72	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_72	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_72	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_72	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_72	NC(=S)N	C62566
MACCS_72	CS(=O)C	C67685
MACCS_72	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_72	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_72	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_72	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_72	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_72	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_72	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_72	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_72	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_72	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_72	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_72	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_72	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_72	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_72	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_72	NNC(=S)NN	C2231574
MACCS_72	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_72	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_72	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_72	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_72	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_72	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_72	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_72	[S-]C(=S)NC.[Na+]	C137428
MACCS_72	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_72	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_72	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_72	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_72	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_72	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_72	O=S(=O)(N)O	C5329146
MACCS_72	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_72	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_72	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_72	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_72	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_72	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_72	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_72	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_72	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_72	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_72	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_72	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_72	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_72	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_72	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_72	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_72	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_72	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_72	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_72	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_72	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_72	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_72	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_72	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_72	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_72	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_72	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_72	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_72	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_72	S=C(NC)NC	C534134
MACCS_72	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_72	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_72	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_72	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_72	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_72	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_72	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_72	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_72	NNC(=S)NC	C6610293
MACCS_72	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_72	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_72	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_72	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_72	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_72	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_72	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_72	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_72	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_72	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_72	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_72	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_72	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_72	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_72	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_72	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_72	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_72	S=C1NCCN1	C96457
MACCS_72	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_72	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_72	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_72	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_72	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_72	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_72	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_72	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_72	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_72	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_72	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_72	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_72	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_72	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_72	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_72	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_72	CN1CN(C)CSC1=S	C533744
MACCS_72	S=C=NC	C556616
MACCS_72	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_72	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_72	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_72	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_72	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_72	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_72	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_72	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_72	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_72	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_72	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_72	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_72	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_72	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_72	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_72	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_72	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_72	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_72	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_72	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_72	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_72	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_72	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_72	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_72	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_72	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_72	[nH]1c(=S)n(cc1)C	C60560
MACCS_72	CS(=O)(=O)OC	C66273
MACCS_72	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_72	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_72	O=S1(=O)CCCO1	C1120714
MACCS_72	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_72	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_72	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_72	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_72	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_72	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_72	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_72	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_72	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_72	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_72	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_72	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_72	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_72	O=S(=O)(OCC)OCC	C64675
MACCS_72	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_72	O=S(=O)(OC)OC	C77781
MACCS_72	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_72	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_72	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_72	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_72	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_72	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_72	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_72	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_72	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_72	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_72	S=P(OCC)(OCC)SCSCC	C298022
MACCS_72	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_72	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_72	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_72	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_72	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_72	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_72	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_72	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_72	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_72	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_72	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_72	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_72	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_72	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_72	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_72	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_72	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_72	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_72	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_72	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_72	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_72	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_72	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_72	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_72	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_72	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_72	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_72	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_72	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_72	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_72	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_72	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_72	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_72	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_72	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_72	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_72	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_72	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_72	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_72	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_72	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_72	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_72	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_72	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_72	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_72	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_72	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_72	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_72	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_72	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_72	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_72	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_72	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_72	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_72	S=C(NCCCC)NCCCC	C109466
MACCS_72	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_72	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_72	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_72	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_72	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_72	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_72	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_72	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_72	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_72	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_72	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_72	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_72	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_72	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_72	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_72	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_72	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_72	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_72	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_72	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_72	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_72	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_72	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_72	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_72	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_72	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_72	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_72	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_72	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_72	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_72	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_72	S=C=NCCCSC	C505793
MACCS_72	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_72	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_73	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_73	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_73	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_73	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_73	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_73	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_73	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_73	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_73	CN(C)C(=O)C	C127195
MACCS_73	CN(CCO)C	C108010
MACCS_73	CN(C)N	C57147
MACCS_73	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_73	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_73	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_73	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_73	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_73	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_73	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_73	CN(N=O)C	C62759
MACCS_73	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_73	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_73	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_73	CS(=O)C	C67685
MACCS_73	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_73	CC(O)CC(C)(C)O	C107415
MACCS_73	O=C(OC(C)(C)C)C	C540885
MACCS_73	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_73	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_73	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_73	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_73	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_73	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_73	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_73	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_73	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_73	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_73	C[Si](=O)C	C9016006
MACCS_73	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_73	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_73	CNC	C124403
MACCS_73	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_73	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_73	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_73	C(C)(C)(C)N	C75649
MACCS_73	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_73	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_73	C(C(=O)C)C(C)(C)O	C123422
MACCS_73	O=C(CC(C)C)CC(C)C	C108838
MACCS_73	N(C)(C)c1cccc(O)c1	C99070
MACCS_73	N(CCCN)(C)C	C109557
MACCS_73	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_73	C(C)(C)(O)C#N	C75865
MACCS_73	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_73	O(C(C)C)C(=O)C	C108214
MACCS_73	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_73	N(C)(C)C	C75503
MACCS_73	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_73	N#CC(C)C	C78820
MACCS_73	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_73	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_73	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_73	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_73	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_73	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_73	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_73	CCCCCCCCCCCCN(C)C	C112185
MACCS_73	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_73	OCC(N)(C)C	C124685
MACCS_73	OCC(C)(C)CO	C126307
MACCS_73	CC1=CCC(=C(C)C)CC1	C586629
MACCS_73	O=COC(C)C	C625558
MACCS_73	Cl[Sn](C)(C)Cl	C753731
MACCS_73	O=C(N(C)C)CCCCCCC	C1118929
MACCS_73	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_73	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_73	O=C(N(C)C)CC(=O)C	C2044646
MACCS_73	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_73	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_73	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_73	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_73	SC(C)(C)CCCCCC	C25360105
MACCS_73	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_73	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_73	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_73	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_73	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_73	OC(CCCC(C)C)(C)CC	C78693
MACCS_73	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_73	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_73	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_73	O=C(C=C(C)C)C	C141797
MACCS_73	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_73	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_73	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_73	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_73	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_73	OC1CC(CCC1C(C)C)C	C1490046
MACCS_73	OCCC(C)CC(C)(C)C	C3452979
MACCS_73	ClC(Cl)(C)C	C594207
MACCS_73	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_73	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_73	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_73	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_73	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_73	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_73	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_73	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_73	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_73	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_73	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_73	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_73	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_73	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_73	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_73	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_73	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_73	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_73	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_73	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_73	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_73	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_73	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_73	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_73	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_73	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_73	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_73	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_73	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_73	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_73	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_73	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_73	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_73	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_73	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_73	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_73	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_73	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_73	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_73	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_73	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_73	CC(C)C1=CCC(=CC1)C	C99854
MACCS_73	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_73	CC1=CC=C(C(C)C)CC1	C99865
MACCS_73	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_73	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_73	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_73	Oc1ccccc1CN(C)C	C120650
MACCS_73	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_73	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_73	OC(CCCC(C)C)(C)C	C13254347
MACCS_73	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_73	OC(CC(C)C)(C)C#C	C107540
MACCS_73	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_73	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_73	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_73	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_73	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_73	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_73	OC1CC(C)(C)CC(C)C1	C116029
MACCS_73	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_73	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_73	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_73	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_73	Oc1cc(C(C)C)ccc1C	C499752
MACCS_73	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_73	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_73	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_73	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_73	Oc1ccc(C(C)C)cc1	C99898
MACCS_73	CO[Si](C)(C)OC	C1112396
MACCS_73	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_73	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_73	Oc1c(C(C)C)cccc1	C88697
MACCS_73	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_73	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_73	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_73	Oc1cc(C(C)C)ccc1	C618451
MACCS_73	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_73	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_73	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_73	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_73	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_73	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_73	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_73	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_73	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_73	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_73	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_73	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_73	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_73	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_73	O=C(c1ccccc1)C(C)C	C611701
MACCS_73	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_73	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_73	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_73	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_73	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_73	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_73	C[As](=O)(C)O	C75605
MACCS_73	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_73	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_73	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_73	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_73	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_73	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_73	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_73	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_73	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_73	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_73	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_73	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_73	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_73	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_73	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_73	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_73	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_73	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_73	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_73	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_73	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_73	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_73	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_73	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_73	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_73	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_73	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_73	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_73	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_73	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_73	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_73	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_73	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_73	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_73	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_73	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_73	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_73	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_73	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_73	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_73	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_73	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_73	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_73	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_73	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_73	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_73	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_73	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_73	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_73	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_73	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_73	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_73	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_73	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_73	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_73	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_73	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_73	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_73	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_73	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_73	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_73	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_73	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_73	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_73	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_73	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_73	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_73	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_73	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_73	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_73	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_73	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_73	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_73	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_73	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_73	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_73	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_73	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_73	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_73	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_73	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_73	CN(c1ccccc1)C	C121697
MACCS_73	O=C(N(C)C)Cl	C79447
MACCS_73	CN(C=O)C	C68122
MACCS_73	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_73	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_73	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_73	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_73	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_73	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_73	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_73	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_73	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_73	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_73	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_73	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_73	CC1(C)NC(=O)NC1=O	C77714
MACCS_73	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_73	CN(C)c1ccc(C)cc1	C99978
MACCS_73	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_73	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_73	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_73	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_73	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_73	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_73	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_73	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_73	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_73	ON=CC(C)(C)SC	C1646759
MACCS_73	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_73	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_73	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_73	O(O)C(c1ccccc1)(C)C	C80159
MACCS_73	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_73	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_73	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_73	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_73	C(CC(C)C)OC(=O)C	C123922
MACCS_73	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_73	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_73	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_73	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_73	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_73	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_73	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_73	CC(C)c1ccc(C)cc1	C99876
MACCS_73	OCCC(C)CCC=C(C)C	C106229
MACCS_73	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_73	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_73	OC(CC(C)C)C	C108112
MACCS_73	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_73	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_73	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_73	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_73	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_73	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_73	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_73	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_73	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_73	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_73	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_73	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_73	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_73	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_73	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_73	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_73	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_73	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_73	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_73	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_73	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_73	Oc1cc(C)ccc1C(C)C	C89838
MACCS_73	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_73	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_73	CCCCCCCCN(C)C	C7378996
MACCS_73	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_73	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_73	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_73	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_73	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_73	O=C(CCC)OCCC(C)C	C106274
MACCS_73	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_73	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_73	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_73	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_73	CC(C)(C)c1ccccc1	C98066
MACCS_73	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_73	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_73	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_73	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_73	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_73	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_73	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_73	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_73	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_73	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_73	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_73	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_73	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_73	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_73	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_73	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_73	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_73	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_73	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_73	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_73	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_73	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_73	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_73	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_73	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_73	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_73	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_73	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_73	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_73	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_73	C(CO)C(C)C	C123513
MACCS_73	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_73	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_73	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_73	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_73	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_73	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_73	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_73	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_73	O=CCC(C)CCC=C(C)C	C106230
MACCS_73	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_73	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_73	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_73	N(CCN(C)C)(C)C	C110189
MACCS_73	CC(=O)CCC(C)C	C110123
MACCS_73	CC(=O)CC(C)C	C108101
MACCS_73	CC(C)C=O	C78842
MACCS_73	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_73	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_73	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_73	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_73	CC(c1ccc(CO)cc1)C	C536607
MACCS_73	CN(C)c1ccc(C=O)cc1	C100107
MACCS_73	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_73	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_73	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_73	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_73	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_73	OCC=C(C)C	C556821
MACCS_73	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_73	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_73	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_73	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_73	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_73	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_73	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_73	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_73	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_73	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_73	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_73	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_73	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_73	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_73	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_73	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_73	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_73	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_73	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_73	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_73	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_73	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_73	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_73	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_73	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_73	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_73	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_73	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_73	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_73	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_73	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_73	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_73	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_73	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_73	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_73	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_73	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_73	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_73	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_73	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_73	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_73	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_73	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_73	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_73	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_73	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_73	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_73	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_73	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_73	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_73	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_73	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_73	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_73	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_73	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_73	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_73	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_73	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_73	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_74	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_74	O=NN1CCCC1	C930552
MACCS_74	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_74	OCCN1CCNCC1	C103764
MACCS_74	NCCN1CCNCC1	C140318
MACCS_74	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_74	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_74	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_74	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_74	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_74	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_74	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_74	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_74	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_74	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_74	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_74	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_74	CN1CCOCC1	C109024
MACCS_74	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_74	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_74	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_74	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_74	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_74	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_74	OCn1nc(C)cc1C	C85264331
MACCS_74	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_74	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_74	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_74	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_74	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_74	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_74	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_74	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_74	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_74	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_74	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_74	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_74	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_74	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_74	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_74	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_74	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_74	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_74	NCCCN1CCOCC1	C123002
MACCS_74	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_74	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_74	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_74	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_74	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_74	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_74	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_74	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_74	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_74	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_74	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_74	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_74	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_74	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_74	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_74	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_74	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_74	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_74	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_74	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_74	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_74	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_74	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_74	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_74	O=C(SCC)N1CCCCCC1	C2212671
MACCS_74	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_74	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_74	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_74	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_74	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_74	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_74	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_74	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_74	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_74	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_74	CN1CN(C)CSC1=S	C533744
MACCS_74	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_74	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_74	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_74	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_74	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_74	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_74	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_74	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_74	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_74	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_74	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_74	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_74	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_74	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_74	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_74	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_74	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_74	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_74	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_74	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_74	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_74	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_74	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_74	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_74	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_74	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_74	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_74	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_74	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_74	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_74	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_74	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_74	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_74	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_74	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_74	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_74	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_74	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_74	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_74	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_74	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_74	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_74	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_74	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_74	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_74	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_74	[nH]1c(=S)n(cc1)C	C60560
MACCS_74	O=C1N(CCC1)C	C872504
MACCS_74	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_74	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_74	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_74	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_74	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_74	O=C1N(C=C)CCC1	C88120
MACCS_74	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_74	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_74	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_74	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_74	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_74	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_74	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_74	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_74	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_74	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_74	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_74	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_74	O=c1ccsn1CCCCCCCC	C26530201
MACCS_74	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_74	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_74	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_74	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_74	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_74	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_74	Nn1cnnc1	C584134
MACCS_74	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_74	O=c1n(C)sc(Cl)c1	C26172554
MACCS_74	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_74	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_74	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_74	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_74	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_74	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_74	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_74	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_74	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_74	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_74	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_74	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_74	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_74	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_74	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_74	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_74	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_74	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_74	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_74	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_74	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_74	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_74	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_74	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_74	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_74	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_74	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_74	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_74	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_74	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_74	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_74	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_74	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_74	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_74	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_74	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_74	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_74	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_74	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_74	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_74	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_74	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_74	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_74	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_74	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_74	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_74	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_74	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_74	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_74	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_74	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_74	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_74	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_74	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_74	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_74	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_74	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_74	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_74	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_74	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_74	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_74	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_74	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_74	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_74	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_74	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_74	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_74	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_74	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_74	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_74	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_74	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_74	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_74	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_74	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_74	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_74	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_74	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_74	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_74	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_74	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_74	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_74	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_74	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_74	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_74	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_74	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_74	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_74	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_74	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_74	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_74	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_74	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_74	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_74	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_74	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_74	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_74	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_74	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_74	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_74	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_74	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_74	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_74	O=CN1CCCCC1	C2591868
MACCS_74	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_74	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_74	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_74	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_74	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_74	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_74	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_74	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_74	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_74	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_74	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_74	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_75	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_75	O=NN1CCCC1	C930552
MACCS_75	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_75	OCCN1CCNCC1	C103764
MACCS_75	NCCN1CCNCC1	C140318
MACCS_75	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_75	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_75	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_75	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_75	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_75	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_75	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_75	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_75	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_75	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_75	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_75	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_75	CN1CCOCC1	C109024
MACCS_75	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_75	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_75	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_75	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_75	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_75	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_75	OCn1nc(C)cc1C	C85264331
MACCS_75	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_75	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_75	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_75	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_75	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_75	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_75	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_75	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_75	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_75	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_75	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_75	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_75	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_75	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_75	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_75	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_75	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_75	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_75	NCCCN1CCOCC1	C123002
MACCS_75	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_75	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_75	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_75	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_75	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_75	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_75	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_75	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_75	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_75	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_75	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_75	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_75	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_75	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_75	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_75	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_75	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_75	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_75	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_75	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_75	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_75	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_75	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_75	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_75	O=C(SCC)N1CCCCCC1	C2212671
MACCS_75	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_75	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_75	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_75	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_75	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_75	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_75	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_75	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_75	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_75	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_75	CN1CN(C)CSC1=S	C533744
MACCS_75	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_75	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_75	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_75	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_75	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_75	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_75	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_75	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_75	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_75	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_75	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_75	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_75	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_75	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_75	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_75	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_75	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_75	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_75	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_75	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_75	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_75	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_75	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_75	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_75	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_75	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_75	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_75	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_75	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_75	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_75	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_75	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_75	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_75	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_75	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_75	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_75	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_75	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_75	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_75	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_75	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_75	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_75	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_75	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_75	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_75	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_75	[nH]1c(=S)n(cc1)C	C60560
MACCS_75	O=C1N(CCC1)C	C872504
MACCS_75	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_75	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_75	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_75	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_75	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_75	O=C1N(C=C)CCC1	C88120
MACCS_75	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_75	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_75	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_75	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_75	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_75	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_75	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_75	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_75	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_75	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_75	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_75	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_75	O=c1ccsn1CCCCCCCC	C26530201
MACCS_75	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_75	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_75	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_75	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_75	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_75	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_75	Nn1cnnc1	C584134
MACCS_75	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_75	O=c1n(C)sc(Cl)c1	C26172554
MACCS_75	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_75	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_75	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_75	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_75	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_75	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_75	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_75	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_75	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_75	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_75	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_75	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_75	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_75	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_75	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_75	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_75	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_75	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_75	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_75	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_75	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_75	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_75	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_75	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_75	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_75	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_75	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_75	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_75	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_75	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_75	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_75	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_75	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_75	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_75	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_75	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_75	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_75	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_75	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_75	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_75	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_75	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_75	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_75	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_75	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_75	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_75	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_75	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_75	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_75	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_75	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_75	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_75	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_75	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_75	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_75	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_75	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_75	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_75	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_75	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_75	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_75	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_75	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_75	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_75	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_75	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_75	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_75	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_75	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_75	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_75	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_75	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_75	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_75	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_75	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_75	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_75	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_75	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_75	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_75	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_75	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_75	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_75	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_75	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_75	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_75	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_75	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_75	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_75	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_75	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_75	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_75	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_75	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_75	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_75	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_75	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_75	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_75	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_75	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_75	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_75	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_75	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_75	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_75	O=CN1CCCCC1	C2591868
MACCS_75	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_75	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_75	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_75	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_75	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_75	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_75	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_75	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_75	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_75	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_75	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_75	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_76	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_76	c1(nc[nH]n1)N	C61825
MACCS_76	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_76	[nH]1c2c(cccc2)nn1	C95147
MACCS_76	NC(=N)NC#N	C461585
MACCS_76	S=C(NCC)NCC	C105555
MACCS_76	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_76	CN(C(=O)N)N=O	C684935
MACCS_76	NC(=S)N	C62566
MACCS_76	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_76	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_76	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_76	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_76	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_76	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_76	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_76	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_76	O=C(N)N=NC(=O)N	C123773
MACCS_76	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_76	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_76	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_76	OCNC(=O)NCO	C140954
MACCS_76	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_76	Cc1cccc2nn[nH]c12	C29385431
MACCS_76	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_76	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_76	NNC(=S)NN	C2231574
MACCS_76	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_76	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_76	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_76	n1c[nH]cc1	C288324
MACCS_76	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_76	O=C1NC2NC(=O)NC2N1	C496468
MACCS_76	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_76	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_76	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_76	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_76	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_76	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_76	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_76	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_76	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_76	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_76	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_76	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_76	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_76	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_76	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_76	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_76	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_76	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_76	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_76	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_76	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_76	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_76	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_76	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_76	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_76	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_76	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_76	S=C(NC)NC	C534134
MACCS_76	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_76	O=C(N)Nc1ccccc1	C64108
MACCS_76	NNC(=S)NC	C6610293
MACCS_76	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_76	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_76	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_76	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_76	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_76	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_76	S=C1NCCN1	C96457
MACCS_76	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_76	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_76	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_76	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_76	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_76	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_76	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_76	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_76	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_76	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_76	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_76	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_76	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_76	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_76	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_76	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_76	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_76	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_76	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_76	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_76	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_76	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_76	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_76	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_76	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_76	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_76	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_76	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_76	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_76	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_76	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_76	CN1CN(C)CSC1=S	C533744
MACCS_76	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_76	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_76	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_76	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_76	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_76	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_76	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_76	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_76	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_76	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_76	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_76	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_76	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_76	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_76	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_76	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_76	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_76	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_76	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_76	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_76	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_76	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_76	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_76	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_76	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_76	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_76	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_76	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_76	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_76	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_76	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_76	N#CN	C420042
MACCS_76	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_76	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_76	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_76	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_76	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_76	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_76	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_76	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_76	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_76	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_76	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_76	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_76	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_76	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_76	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_76	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_76	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_76	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_76	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_76	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_76	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_76	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_76	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_76	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_76	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_76	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_76	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_76	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_76	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_76	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_76	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_76	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_76	C1N2CN3CN(C2)CN1C3	C100970
MACCS_76	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_76	[nH]1c(=S)n(cc1)C	C60560
MACCS_76	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_76	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_76	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_76	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_76	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_76	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_76	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_76	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_76	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_76	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_76	C(=O)(N)N	C57136
MACCS_76	CC1(C)NC(=O)NC1=O	C77714
MACCS_76	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_76	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_76	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_76	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_76	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_76	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_76	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_76	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_76	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_76	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_76	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_76	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_76	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_76	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_76	C(=O)(N)NO	C127071
MACCS_76	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_76	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_76	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_76	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_76	[nH]1ncnc1	C288880
MACCS_76	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_76	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_76	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_76	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_76	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_76	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_76	Nn1cnnc1	C584134
MACCS_76	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_76	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_76	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_76	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_76	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_76	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_76	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_76	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_76	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_76	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_76	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_76	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_76	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_76	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_76	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_76	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_76	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_76	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_76	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_76	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_76	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_76	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_76	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_76	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_76	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_76	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_76	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_76	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_76	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_76	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_76	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_76	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_76	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_76	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_76	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_76	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_76	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_76	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_76	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_76	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_76	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_76	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_76	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_76	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_76	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_76	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_76	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_76	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_76	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_76	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_76	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_76	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_76	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_76	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_76	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_76	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_76	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_76	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_76	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_76	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_76	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_76	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_76	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_76	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_76	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_76	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_76	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_76	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_76	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_76	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_76	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_76	S=C(NCCCC)NCCCC	C109466
MACCS_76	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_76	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_76	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_76	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_76	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_76	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_76	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_76	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_76	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_76	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_76	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_76	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_76	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_76	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_76	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_76	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_76	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_76	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_76	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_76	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_76	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_76	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_76	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_76	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_76	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_76	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_76	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_76	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_76	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_76	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_76	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_76	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_76	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_76	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_76	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_76	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_76	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_76	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_76	Nc1cccc(C)n1	C1824813
MACCS_76	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_76	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_76	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_76	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_77	C=CCN=C=S	C57067
MACCS_77	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_77	NC(=N)NC#N	C461585
MACCS_77	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_77	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_77	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_77	ON=C1CCCCC1	C100641
MACCS_77	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_77	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_77	ON=CCCC	C110690
MACCS_77	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_77	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_77	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_77	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_77	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_77	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_77	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_77	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_77	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_77	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_77	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_77	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_77	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_77	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_77	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_77	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_77	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_77	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_77	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_77	CSC(=NOC(=O)NC)C	C16752775
MACCS_77	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_77	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_77	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_77	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_77	S=C=NC	C556616
MACCS_77	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_77	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_77	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_77	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_77	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_77	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_77	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_77	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_77	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_77	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_77	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_77	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_77	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_77	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_77	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_77	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_77	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_77	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_77	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_77	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_77	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_77	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_77	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_77	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_77	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_77	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_77	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_77	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_77	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_77	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_77	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_77	CCC(=NO)C	C96297
MACCS_77	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_77	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_77	O=C=NCCCCCCN=C=O	C822060
MACCS_77	ON=CC(C)(C)SC	C1646759
MACCS_77	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_77	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_77	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_77	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_77	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_77	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_77	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_77	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_77	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_77	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_77	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_77	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_77	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_77	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_77	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_77	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_77	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_77	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_77	S=C=NCCCSC	C505793
MACCS_77	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_78	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_78	c1(nc[nH]n1)N	C61825
MACCS_78	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_78	[nH]1c2c(cccc2)nn1	C95147
MACCS_78	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_78	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_78	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_78	CN(C(=O)N)N=O	C684935
MACCS_78	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_78	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_78	OCCN1CCNCC1	C103764
MACCS_78	NCCN1CCNCC1	C140318
MACCS_78	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_78	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_78	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_78	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_78	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_78	O=C(N)N=NC(=O)N	C123773
MACCS_78	N(CCN)CCN	C111400
MACCS_78	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_78	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_78	c12ncccc1ccc1c2nccc1	C66717
MACCS_78	Cc1cccc2nn[nH]c12	C29385431
MACCS_78	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_78	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_78	NNC(=S)NN	C2231574
MACCS_78	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_78	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_78	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_78	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_78	n1c[nH]cc1	C288324
MACCS_78	O=C1NC2NC(=O)NC2N1	C496468
MACCS_78	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_78	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_78	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_78	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_78	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_78	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_78	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_78	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_78	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_78	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_78	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_78	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_78	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_78	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_78	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_78	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_78	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_78	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_78	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_78	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_78	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_78	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_78	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_78	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_78	NNC(=S)NC	C6610293
MACCS_78	NCCN.I.I	C5700492
MACCS_78	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_78	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_78	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_78	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_78	S=C1NCCN1	C96457
MACCS_78	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_78	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_78	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_78	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_78	CSC(=NOC(=O)NC)C	C16752775
MACCS_78	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_78	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_78	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_78	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_78	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_78	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_78	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_78	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_78	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_78	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_78	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_78	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_78	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_78	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_78	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_78	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_78	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_78	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_78	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_78	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_78	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_78	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_78	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_78	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_78	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_78	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_78	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_78	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_78	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_78	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_78	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_78	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_78	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_78	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_78	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_78	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_78	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_78	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_78	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_78	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_78	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_78	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_78	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_78	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_78	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_78	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_78	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_78	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_78	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_78	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_78	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_78	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_78	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_78	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_78	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_78	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_78	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_78	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_78	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_78	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_78	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_78	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_78	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_78	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_78	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_78	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_78	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_78	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_78	Nc1c(ccc(c1)Cl)N	C95830
MACCS_78	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_78	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_78	[nH]1c(=S)n(cc1)C	C60560
MACCS_78	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_78	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_78	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_78	C1CNCCN1	C110850
MACCS_78	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_78	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_78	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_78	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_78	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_78	CC1(C)NC(=O)NC1=O	C77714
MACCS_78	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_78	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_78	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_78	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_78	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_78	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_78	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_78	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_78	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_78	Nc1cc(C)ccc1N	C496720
MACCS_78	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_78	Nc1c(N)cccc1	C95545
MACCS_78	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_78	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_78	[nH]1ncnc1	C288880
MACCS_78	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_78	Nc1cccc(C)c1N	C2687254
MACCS_78	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_78	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_78	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_78	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_78	Nn1cnnc1	C584134
MACCS_78	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_78	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_78	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_78	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_78	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_78	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_78	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_78	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_78	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_78	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_78	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_78	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_78	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_78	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_78	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_78	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_78	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_78	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_78	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_78	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_78	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_78	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_78	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_78	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_78	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_78	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_78	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_78	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_78	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_78	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_78	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_78	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_78	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_78	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_78	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_78	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_78	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_78	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_78	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_78	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_78	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_78	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_78	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_78	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_78	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_78	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_78	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_78	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_78	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_78	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_78	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_78	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_78	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_78	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_78	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_78	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_78	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_78	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_78	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_78	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_78	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_78	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_78	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_78	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_78	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_78	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_78	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_78	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_78	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_78	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_78	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_78	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_78	N(CCN(C)C)(C)C	C110189
MACCS_78	NCCN	C107153
MACCS_78	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_78	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_78	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_78	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_78	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_78	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_78	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_78	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_78	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_78	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_78	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_78	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_78	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_78	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_78	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_78	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_78	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_78	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_78	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_78	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_78	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_78	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_78	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_78	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_78	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_78	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_78	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_78	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_78	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_78	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_78	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_78	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_78	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_79	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_79	c1(nc[nH]n1)N	C61825
MACCS_79	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_79	[nH]1c2c(cccc2)nn1	C95147
MACCS_79	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_79	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_79	NC(=N)NC#N	C461585
MACCS_79	NC(=O)c1cccnc1	C98920
MACCS_79	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_79	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_79	N#CCC#N	C109773
MACCS_79	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_79	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_79	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_79	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_79	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_79	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_79	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_79	N(CCCN)(C)C	C109557
MACCS_79	Cc1cccc2nn[nH]c12	C29385431
MACCS_79	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_79	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_79	NNC(=S)NN	C2231574
MACCS_79	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_79	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_79	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_79	O=C1NC2NC(=O)NC2N1	C496468
MACCS_79	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_79	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_79	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_79	OCn1nc(C)cc1C	C85264331
MACCS_79	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_79	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_79	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_79	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_79	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_79	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_79	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_79	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_79	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_79	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_79	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_79	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_79	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_79	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_79	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_79	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_79	NCCCN1CCOCC1	C123002
MACCS_79	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_79	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_79	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_79	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_79	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_79	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_79	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_79	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_79	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_79	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_79	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_79	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_79	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_79	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_79	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_79	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_79	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_79	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_79	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_79	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_79	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_79	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_79	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_79	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_79	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_79	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_79	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_79	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_79	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_79	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_79	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_79	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_79	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_79	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_79	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_79	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_79	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_79	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_79	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_79	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_79	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_79	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_79	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_79	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_79	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_79	CN1CN(C)CSC1=S	C533744
MACCS_79	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_79	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_79	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_79	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_79	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_79	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_79	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_79	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_79	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_79	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_79	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_79	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_79	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_79	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_79	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_79	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_79	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_79	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_79	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_79	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_79	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_79	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_79	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_79	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_79	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_79	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_79	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_79	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_79	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_79	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_79	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_79	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_79	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_79	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_79	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_79	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_79	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_79	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_79	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_79	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_79	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_79	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_79	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_79	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_79	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_79	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_79	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_79	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_79	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_79	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_79	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_79	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_79	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_79	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_79	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_79	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_79	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_79	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_79	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_79	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_79	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_79	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_79	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_79	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_79	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_79	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_79	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_79	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_79	Nc1c(ccc(c1)N)C	C95807
MACCS_79	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_79	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_79	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_79	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_79	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_79	C1N2CN3CN(C2)CN1C3	C100970
MACCS_79	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_79	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_79	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_79	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_79	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_79	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_79	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_79	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_79	Nc1cc(ccc1)N	C108452
MACCS_79	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_79	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_79	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_79	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_79	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_79	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_79	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_79	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_79	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_79	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_79	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_79	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_79	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_79	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_79	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_79	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_79	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_79	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_79	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_79	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_79	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_79	N#Cc1cnccc1	C100549
MACCS_79	[nH]1ncnc1	C288880
MACCS_79	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_79	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_79	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_79	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_79	Nn1cnnc1	C584134
MACCS_79	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_79	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_79	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_79	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_79	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_79	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_79	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_79	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_79	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_79	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_79	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_79	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_79	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_79	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_79	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_79	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_79	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_79	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_79	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_79	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_79	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_79	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_79	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_79	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_79	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_79	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_79	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_79	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_79	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_79	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_79	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_79	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_79	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_79	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_79	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_79	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_79	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_79	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_79	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_79	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_79	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_79	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_79	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_79	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_79	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_79	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_79	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_79	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_79	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_79	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_79	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_79	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_79	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_79	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_79	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_79	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_79	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_79	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_79	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_79	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_79	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_79	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_79	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_79	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_79	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_79	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_79	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_79	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_79	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_79	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_79	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_79	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_79	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_79	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_79	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_79	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_79	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_79	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_79	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_79	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_79	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_79	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_79	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_79	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_79	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_79	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_79	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_79	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_79	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_79	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_79	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_79	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_79	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_79	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_79	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_79	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_79	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_79	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_79	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_79	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_79	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_79	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_79	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_79	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_79	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_79	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_79	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_79	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_79	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_79	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_79	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_79	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_79	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_79	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_79	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_79	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_79	N#C[Au-]C#N.[K+]	C13967505
MACCS_79	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_79	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_79	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_79	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_79	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_79	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_79	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_79	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_79	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_79	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_79	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_79	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_80	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_80	c1(nc[nH]n1)N	C61825
MACCS_80	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_80	[nH]1c2c(cccc2)nn1	C95147
MACCS_80	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_80	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_80	NC(=N)NC#N	C461585
MACCS_80	NC(=O)c1cccnc1	C98920
MACCS_80	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_80	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_80	N#CCC#N	C109773
MACCS_80	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_80	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_80	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_80	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_80	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_80	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_80	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_80	N(CCCN)(C)C	C109557
MACCS_80	Cc1cccc2nn[nH]c12	C29385431
MACCS_80	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_80	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_80	NNC(=S)NN	C2231574
MACCS_80	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_80	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_80	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_80	O=C1NC2NC(=O)NC2N1	C496468
MACCS_80	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_80	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_80	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_80	OCn1nc(C)cc1C	C85264331
MACCS_80	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_80	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_80	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_80	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_80	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_80	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_80	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_80	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_80	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_80	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_80	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_80	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_80	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_80	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_80	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_80	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_80	NCCCN1CCOCC1	C123002
MACCS_80	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_80	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_80	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_80	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_80	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_80	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_80	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_80	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_80	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_80	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_80	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_80	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_80	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_80	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_80	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_80	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_80	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_80	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_80	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_80	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_80	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_80	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_80	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_80	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_80	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_80	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_80	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_80	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_80	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_80	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_80	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_80	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_80	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_80	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_80	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_80	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_80	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_80	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_80	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_80	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_80	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_80	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_80	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_80	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_80	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_80	CN1CN(C)CSC1=S	C533744
MACCS_80	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_80	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_80	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_80	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_80	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_80	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_80	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_80	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_80	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_80	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_80	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_80	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_80	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_80	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_80	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_80	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_80	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_80	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_80	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_80	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_80	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_80	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_80	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_80	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_80	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_80	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_80	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_80	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_80	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_80	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_80	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_80	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_80	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_80	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_80	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_80	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_80	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_80	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_80	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_80	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_80	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_80	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_80	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_80	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_80	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_80	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_80	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_80	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_80	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_80	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_80	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_80	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_80	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_80	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_80	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_80	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_80	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_80	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_80	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_80	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_80	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_80	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_80	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_80	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_80	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_80	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_80	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_80	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_80	Nc1c(ccc(c1)N)C	C95807
MACCS_80	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_80	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_80	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_80	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_80	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_80	C1N2CN3CN(C2)CN1C3	C100970
MACCS_80	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_80	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_80	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_80	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_80	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_80	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_80	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_80	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_80	Nc1cc(ccc1)N	C108452
MACCS_80	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_80	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_80	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_80	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_80	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_80	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_80	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_80	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_80	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_80	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_80	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_80	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_80	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_80	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_80	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_80	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_80	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_80	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_80	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_80	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_80	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_80	N#Cc1cnccc1	C100549
MACCS_80	[nH]1ncnc1	C288880
MACCS_80	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_80	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_80	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_80	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_80	Nn1cnnc1	C584134
MACCS_80	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_80	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_80	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_80	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_80	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_80	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_80	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_80	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_80	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_80	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_80	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_80	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_80	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_80	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_80	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_80	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_80	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_80	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_80	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_80	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_80	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_80	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_80	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_80	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_80	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_80	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_80	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_80	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_80	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_80	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_80	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_80	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_80	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_80	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_80	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_80	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_80	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_80	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_80	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_80	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_80	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_80	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_80	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_80	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_80	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_80	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_80	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_80	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_80	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_80	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_80	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_80	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_80	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_80	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_80	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_80	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_80	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_80	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_80	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_80	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_80	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_80	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_80	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_80	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_80	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_80	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_80	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_80	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_80	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_80	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_80	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_80	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_80	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_80	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_80	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_80	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_80	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_80	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_80	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_80	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_80	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_80	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_80	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_80	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_80	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_80	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_80	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_80	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_80	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_80	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_80	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_80	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_80	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_80	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_80	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_80	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_80	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_80	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_80	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_80	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_80	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_80	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_80	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_80	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_80	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_80	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_80	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_80	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_80	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_80	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_80	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_80	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_80	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_80	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_80	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_80	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_80	N#C[Au-]C#N.[K+]	C13967505
MACCS_80	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_80	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_80	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_80	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_80	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_80	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_80	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_80	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_80	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_80	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_80	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_80	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_81	C=CCO	C107186
MACCS_81	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_81	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_81	CC(CNCC(C)O)O	C110974
MACCS_81	S=C(NCC)NCC	C105555
MACCS_81	CN(CCO)C	C108010
MACCS_81	OC(CO)CCl	C96242
MACCS_81	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_81	OCCOCCOCCOCCCC	C143226
MACCS_81	OCCC	C71238
MACCS_81	OC(C)CN	C78966
MACCS_81	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_81	OCCN1CCNCC1	C103764
MACCS_81	C(O)C#CCO	C110656
MACCS_81	CCNCCO	C110736
MACCS_81	CCCCCCO	C111273
MACCS_81	CCCCCCCO	C111706
MACCS_81	CCCCCCCCCCCCN	C124221
MACCS_81	NCCN1CCNCC1	C140318
MACCS_81	CCCCCCCCCO	C143088
MACCS_81	C=CC(=O)OCCO	C818611
MACCS_81	CC/C=C\CCO	C928961
MACCS_81	CCCCCCCCCCN	C2016571
MACCS_81	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_81	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_81	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_81	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_81	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_81	NC(CO)(CO)CO	C77861
MACCS_81	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_81	OCCCCO	C110634
MACCS_81	C(CCN)CCCN	C124094
MACCS_81	N(CCN)CCN	C111400
MACCS_81	N(CCCN)(C)C	C109557
MACCS_81	OCNC(=O)NCO	C140954
MACCS_81	C(CCCCCC)CCCCCS	C112550
MACCS_81	OCC(C(O)CCC)CC	C94962
MACCS_81	c1c(CO)occ1	C98000
MACCS_81	C(=O)(O)CO	C79141
MACCS_81	C1COCCN1	C110918
MACCS_81	O=C(O)CS	C68111
MACCS_81	OCCc1ccccc1	C60128
MACCS_81	N1CCCCCC1	C111499
MACCS_81	OCCOCCOCCOC	C112356
MACCS_81	OCCOCCOCCOCCO	C112607
MACCS_81	OCC(CO)(CO)CO	C115775
MACCS_81	OCC(N)(C)C	C124685
MACCS_81	OCC(C)(C)CO	C126307
MACCS_81	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_81	O=C1NCCC1	C616455
MACCS_81	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_81	OCCOCCOCCOCCOCCCC	C1559348
MACCS_81	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_81	OCCOCCC	C2807309
MACCS_81	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_81	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_81	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_81	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_81	CC(CO)O	C25322694
MACCS_81	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_81	OCC1OCCC1	C97994
MACCS_81	OCC(CCC)CCCCC	C10042598
MACCS_81	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_81	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_81	OCCC(C)CC(C)(C)C	C3452979
MACCS_81	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_81	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_81	OCn1nc(C)cc1C	C85264331
MACCS_81	OCCSCCCCCCCC	C3547339
MACCS_81	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_81	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_81	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_81	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_81	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_81	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_81	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_81	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_81	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_81	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_81	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_81	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_81	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_81	OCC=Cc1ccccc1	C104541
MACCS_81	NCCCN1CCOCC1	C123002
MACCS_81	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_81	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_81	OCCOCC(CC)CCCC	C1559359
MACCS_81	OCCN(CC)CCO	C139877
MACCS_81	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_81	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_81	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_81	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_81	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_81	OC(CO)c1ccccc1	C93561
MACCS_81	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_81	NCCN.I.I	C5700492
MACCS_81	OCC(CCCC)CCCCCC	C3913028
MACCS_81	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_81	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_81	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_81	OCCOCC(C)OCCO	C9003116
MACCS_81	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_81	S=C1NCCN1	C96457
MACCS_81	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_81	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_81	c1ccccc1OCCO	C122996
MACCS_81	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_81	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_81	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_81	OCCOC	C109864
MACCS_81	O=C(NCCCC)OCC#CI	C55406536
MACCS_81	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_81	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_81	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_81	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_81	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_81	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_81	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_81	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_81	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_81	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_81	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_81	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_81	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_81	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_81	OCc1ccccc1	C100516
MACCS_81	OCC(CO)(CBr)CBr	C3296900
MACCS_81	O=C1CCCCCN1	C105602
MACCS_81	OCCOCCO	C111466
MACCS_81	C(CO)O	C107211
MACCS_81	CCC(CCCC)CO	C104767
MACCS_81	OCC(O)CO	C56815
MACCS_81	OCC1CO1	C556525
MACCS_81	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_81	C1CNCCN1	C110850
MACCS_81	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_81	CC(CO)O	C57556
MACCS_81	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_81	OCCN(CCO)CCO	C102716
MACCS_81	OCCOCCOCCO	C112276
MACCS_81	CCCCOCCOCCO	C112345
MACCS_81	CCN(CCO)CC	C100378
MACCS_81	CCNc1cc(C)ccc1	C102272
MACCS_81	ClCCO	C107073
MACCS_81	OCCNCCO	C111422
MACCS_81	CCCCCCCCO	C111875
MACCS_81	CCOCCOCCO	C111900
MACCS_81	CCCCCCCCCCO	C112301
MACCS_81	CCCCCCCCCCCCCO	C112709
MACCS_81	OCCN	C141435
MACCS_81	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_81	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_81	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_81	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_81	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_81	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_81	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_81	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_81	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_81	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_81	CCOCCO	C110805
MACCS_81	CCCCOCCO	C111762
MACCS_81	OCCOCCOCCOCC	C112505
MACCS_81	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_81	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_81	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_81	O(CCOC)CCO	C111773
MACCS_81	N(c1ccccc1)CC	C103695
MACCS_81	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_81	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_81	OCCC(C)CCC=C(C)C	C106229
MACCS_81	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_81	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_81	OCCC(O)C	C107880
MACCS_81	OCCOCCCCCC	C112254
MACCS_81	OCCCCCCCCCCC	C112425
MACCS_81	OCCCCCCCCCCCC	C112538
MACCS_81	OCCCCCCCCCCCCCC	C112721
MACCS_81	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_81	OCCCCCCCCCCCCCCC	C629765
MACCS_81	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_81	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_81	OCCCCCCCCCCCCCCCC	C36653824
MACCS_81	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_81	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_81	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_81	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_81	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_81	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_81	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_81	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_81	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_81	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_81	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_81	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_81	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_81	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_81	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_81	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_81	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_81	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_81	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_81	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_81	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_81	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_81	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_81	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_81	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_81	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_81	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_81	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_81	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_81	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_81	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_81	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_81	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_81	OCCCBr	C627189
MACCS_81	C(CO)C(C)C	C123513
MACCS_81	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_81	NCCOCCOCCN	C929599
MACCS_81	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_81	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_81	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_81	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_81	OCCC(OC)C	C2517433
MACCS_81	S=C(NCCCC)NCCCC	C109466
MACCS_81	NCc1cccc(CN)c1	C1477550
MACCS_81	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_81	NCCN	C107153
MACCS_81	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_81	CC(c1ccc(CO)cc1)C	C536607
MACCS_81	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_81	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_81	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_81	OCC=C(C)C	C556821
MACCS_81	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_81	OCc1c[nH]c2c1cccc2	C700061
MACCS_81	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_81	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_81	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_81	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_81	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_81	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_81	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_81	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_81	CCCCCCCCCCCCN.Cl	C929737
MACCS_81	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_81	O=C(OCCCCO)C=C	C2478106
MACCS_81	NCCCOCCCCCCCC	C15930662
MACCS_81	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_81	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_81	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_81	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_81	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_81	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_82	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_82	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_82	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_82	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_82	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_82	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_82	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_82	NC(=O)c1cccnc1	C98920
MACCS_82	OC(=O)c1cccnc1	C59676
MACCS_82	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_82	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_82	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_82	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_82	OCCN1CCNCC1	C103764
MACCS_82	NCCN1CCNCC1	C140318
MACCS_82	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_82	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_82	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_82	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_82	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_82	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_82	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_82	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_82	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_82	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_82	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_82	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_82	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_82	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_82	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_82	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_82	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_82	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_82	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_82	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_82	C1COCCN1	C110918
MACCS_82	c12ncccc1ccc1c2nccc1	C66717
MACCS_82	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_82	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_82	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_82	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_82	CN1CCOCC1	C109024
MACCS_82	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_82	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_82	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_82	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_82	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_82	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_82	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_82	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_82	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_82	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_82	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_82	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_82	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_82	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_82	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_82	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_82	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_82	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_82	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_82	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_82	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_82	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_82	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_82	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_82	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_82	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_82	O1C=CCCC1	C110872
MACCS_82	O=c1ccoc(CC)c1O	C4940118
MACCS_82	NCCCN1CCOCC1	C123002
MACCS_82	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_82	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_82	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_82	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_82	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_82	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_82	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_82	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_82	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_82	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_82	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_82	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_82	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_82	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_82	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_82	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_82	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_82	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_82	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_82	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_82	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_82	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_82	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_82	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_82	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_82	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_82	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_82	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_82	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_82	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_82	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_82	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_82	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_82	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_82	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_82	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_82	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_82	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_82	CN1CN(C)CSC1=S	C533744
MACCS_82	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_82	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_82	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_82	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_82	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_82	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_82	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_82	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_82	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_82	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_82	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_82	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_82	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_82	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_82	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_82	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_82	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_82	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_82	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_82	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_82	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_82	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_82	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_82	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_82	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_82	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_82	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_82	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_82	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_82	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_82	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_82	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_82	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_82	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_82	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_82	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_82	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_82	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_82	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_82	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_82	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_82	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_82	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_82	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_82	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_82	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_82	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_82	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_82	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_82	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_82	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_82	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_82	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_82	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_82	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_82	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_82	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_82	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_82	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_82	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_82	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_82	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_82	O=c1oc2c(cccc2)cc1	C91645
MACCS_82	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_82	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_82	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_82	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_82	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_82	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_82	C1N2CN3CN(C2)CN1C3	C100970
MACCS_82	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_82	Oc1cccc2cccnc12	C148243
MACCS_82	O=C(c1ccncc1)NN	C54853
MACCS_82	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_82	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_82	Cc1cc2cccnc2cc1	C91623
MACCS_82	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_82	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_82	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_82	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_82	C1CNCCN1	C110850
MACCS_82	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_82	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_82	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_82	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_82	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_82	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_82	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_82	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_82	n1cccc2c1cccc2	C91225
MACCS_82	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_82	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_82	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_82	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_82	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_82	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_82	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_82	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_82	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_82	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_82	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_82	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_82	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_82	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_82	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_82	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_82	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_82	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_82	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_82	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_82	o1c(C)c(O)c(=O)cc1	C118718
MACCS_82	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_82	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_82	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_82	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_82	N#Cc1cnccc1	C100549
MACCS_82	c1(c2ccncc2)ccncc1	C553264
MACCS_82	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_82	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_82	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_82	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_82	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_82	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_82	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_82	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_82	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_82	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_82	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_82	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_82	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_82	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_82	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_82	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_82	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_82	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_82	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_82	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_82	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_82	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_82	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_82	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_82	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_82	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_82	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_82	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_82	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_82	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_82	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_82	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_82	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_82	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_82	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_82	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_82	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_82	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_82	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_82	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_82	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_82	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_82	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_82	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_82	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_82	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_82	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_82	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_82	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_82	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_82	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_82	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_82	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_82	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_82	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_82	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_82	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_82	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_82	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_82	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_82	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_82	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_82	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_82	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_82	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_82	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_82	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_82	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_82	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_82	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_82	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_82	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_82	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_82	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_82	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_82	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_82	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_82	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_82	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_82	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_82	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_82	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_82	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_82	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_82	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_82	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_82	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_82	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_82	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_82	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_82	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_82	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_82	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_82	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_82	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_82	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_82	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_82	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_82	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_82	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_82	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_82	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_82	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_82	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_82	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_82	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_82	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_82	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_82	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_82	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_82	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_82	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_82	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_82	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_82	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_82	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_82	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_82	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_82	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_82	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_82	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_82	n1cc(C)ccc1	C108996
MACCS_82	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_82	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_82	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_82	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_82	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_82	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_82	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_82	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_82	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_82	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_82	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_82	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_82	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_82	c12ccccc1ccc1c2cccn1	C85029
MACCS_82	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_82	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_82	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_82	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_82	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_82	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_82	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_82	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_82	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_82	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_82	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_82	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_82	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_82	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_82	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_82	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_82	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_82	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_82	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_82	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_82	O=CN1CCCCC1	C2591868
MACCS_82	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_82	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_82	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_82	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_82	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_82	Nc1cccc(C)n1	C1824813
MACCS_82	CC1COc2ccccc2N1	C32329207
MACCS_82	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_82	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_82	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_82	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_82	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_82	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_82	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_82	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_82	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_83	CC(=O)N	C60355
MACCS_83	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_83	c1(nc[nH]n1)N	C61825
MACCS_83	Nc1ccccc1.Cl	C142041
MACCS_83	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_83	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_83	Clc1c(ccc(c1)N)C	C95749
MACCS_83	NC(=N)NC#N	C461585
MACCS_83	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_83	CN(C)N	C57147
MACCS_83	NC(=O)OC	C598550
MACCS_83	NC(=O)c1cccnc1	C98920
MACCS_83	CN(C(=O)N)N=O	C684935
MACCS_83	Nc1ccc(cc1)N	C106503
MACCS_83	NC(=S)N	C62566
MACCS_83	Nc1ccccc1C.Cl	C636215
MACCS_83	c1(O)ccccc1C(=O)N	C65452
MACCS_83	OC(C)CN	C78966
MACCS_83	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_83	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_83	Nc1ccc(CCCC)cc1	C104132
MACCS_83	CCCCCCCCCCCCN	C124221
MACCS_83	NCCN1CCNCC1	C140318
MACCS_83	CCCCCCCCCCN	C2016571
MACCS_83	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_83	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_83	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_83	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_83	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_83	NC(CO)(CO)CO	C77861
MACCS_83	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_83	O=C(N)N=NC(=O)N	C123773
MACCS_83	C(C)(C)(C)N	C75649
MACCS_83	C(CCN)CCCN	C124094
MACCS_83	N(CCN)CCN	C111400
MACCS_83	N(CCCN)(C)C	C109557
MACCS_83	O=C(OCC)c1c(N)cccc1	C87252
MACCS_83	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_83	O(c1ccc(N)cc1)CC	C156434
MACCS_83	OCC(N)(C)C	C124685
MACCS_83	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_83	O=C(N)[O-].[NH4+]	C1111780
MACCS_83	Nc1cccc(C)c1C	C1300738
MACCS_83	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_83	NNC(=S)NN	C2231574
MACCS_83	Nc1c(C)cccc1CC	C24549062
MACCS_83	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_83	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_83	O=S(=O)(N)O	C5329146
MACCS_83	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_83	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_83	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_83	Nc1ccc(CCCCC)cc1	C33228443
MACCS_83	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_83	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_83	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_83	NCCCN1CCOCC1	C123002
MACCS_83	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_83	O=C(N)Nc1ccccc1	C64108
MACCS_83	NNC(=S)NC	C6610293
MACCS_83	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_83	NCCN.I.I	C5700492
MACCS_83	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_83	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_83	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_83	Nc1ccc(CCC)cc1	C2696846
MACCS_83	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_83	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_83	Nc1ccc(cc1)OCCCC	C4344552
MACCS_83	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_83	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_83	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_83	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_83	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_83	NP(=O)(OC)SC	C10265926
MACCS_83	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_83	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_83	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_83	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_83	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_83	N#CN	C420042
MACCS_83	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_83	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_83	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_83	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_83	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_83	NC(=O)C=C	C79061
MACCS_83	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_83	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_83	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_83	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_83	Nc1c(ccc(c1)Cl)N	C95830
MACCS_83	Nc1ccc(cc1)Cl	C106478
MACCS_83	Nc1cc(ccc1OC)C	C120718
MACCS_83	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_83	Nc1c(ccc(c1)N)C	C95807
MACCS_83	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_83	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_83	O=C(c1ccncc1)NN	C54853
MACCS_83	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_83	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_83	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_83	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_83	Nc1cc2c(cccc2)cc1	C91598
MACCS_83	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_83	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_83	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_83	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_83	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_83	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_83	Nc1cc(ccc1)N	C108452
MACCS_83	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_83	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_83	C(=O)(N)N	C57136
MACCS_83	NC(=O)OCC	C51796
MACCS_83	Nc1ccc(C)cc1	C106490
MACCS_83	OCCN	C141435
MACCS_83	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_83	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_83	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_83	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_83	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_83	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_83	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_83	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_83	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_83	Nc1c(OC)cccc1	C90040
MACCS_83	NC1CCCCC1	C108918
MACCS_83	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_83	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_83	O=C(O)c1ccc(N)cc1	C150130
MACCS_83	Oc1c(ccc(N)c1)C	C2835952
MACCS_83	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_83	Nc1cc(C)ccc1N	C496720
MACCS_83	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_83	C(=O)(N)NO	C127071
MACCS_83	O=C(OC)c1c(N)cccc1	C134203
MACCS_83	Nc1c(N)cccc1	C95545
MACCS_83	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_83	Nc1c(cccc1)C	C95534
MACCS_83	Nc1c(cccc1C)C	C87627
MACCS_83	Nc1cccc(C)c1	C108441
MACCS_83	Nc1c(CC)cccc1CC	C579668
MACCS_83	Nc1cccc(C)c1N	C2687254
MACCS_83	O=C(N)C(=C)C	C79390
MACCS_83	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_83	Nn1cnnc1	C584134
MACCS_83	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_83	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_83	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_83	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_83	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_83	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_83	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_83	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_83	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_83	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_83	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_83	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_83	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_83	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_83	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_83	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_83	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_83	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_83	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_83	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_83	C(=O)N	C75127
MACCS_83	NCCOCCOCCN	C929599
MACCS_83	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_83	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_83	NCc1cccc(CN)c1	C1477550
MACCS_83	NCCN	C107153
MACCS_83	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_83	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_83	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_83	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_83	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_83	Clc1ccc(N)cc1.Cl	C20265967
MACCS_83	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_83	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_83	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_83	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_83	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_83	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_83	NNc1ccccc1.Cl	C59881
MACCS_83	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_83	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_83	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_83	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_83	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_83	Nc1ccc(Br)cc1	C106401
MACCS_83	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_83	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_83	Nc1ccc(OC)cc1	C104949
MACCS_83	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_83	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_83	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_83	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_83	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_83	CCCCCCCCCCCCN.Cl	C929737
MACCS_83	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_83	NCCCOCCCCCCCC	C15930662
MACCS_83	Nc1cccc(C)n1	C1824813
MACCS_83	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_83	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_83	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_83	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_83	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_83	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_83	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_83	NNC(=O)OCc1ccccc1	C5331431
MACCS_83	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_83	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_84	CC(=O)N	C60355
MACCS_84	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_84	c1(nc[nH]n1)N	C61825
MACCS_84	Nc1ccccc1.Cl	C142041
MACCS_84	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_84	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_84	Clc1c(ccc(c1)N)C	C95749
MACCS_84	NC(=N)NC#N	C461585
MACCS_84	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_84	CN(C)N	C57147
MACCS_84	NC(=O)OC	C598550
MACCS_84	NC(=O)c1cccnc1	C98920
MACCS_84	CN(C(=O)N)N=O	C684935
MACCS_84	Nc1ccc(cc1)N	C106503
MACCS_84	NC(=S)N	C62566
MACCS_84	Nc1ccccc1C.Cl	C636215
MACCS_84	c1(O)ccccc1C(=O)N	C65452
MACCS_84	OC(C)CN	C78966
MACCS_84	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_84	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_84	Nc1ccc(CCCC)cc1	C104132
MACCS_84	CCCCCCCCCCCCN	C124221
MACCS_84	NCCN1CCNCC1	C140318
MACCS_84	CCCCCCCCCCN	C2016571
MACCS_84	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_84	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_84	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_84	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_84	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_84	NC(CO)(CO)CO	C77861
MACCS_84	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_84	O=C(N)N=NC(=O)N	C123773
MACCS_84	C(C)(C)(C)N	C75649
MACCS_84	C(CCN)CCCN	C124094
MACCS_84	N(CCN)CCN	C111400
MACCS_84	N(CCCN)(C)C	C109557
MACCS_84	O=C(OCC)c1c(N)cccc1	C87252
MACCS_84	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_84	O(c1ccc(N)cc1)CC	C156434
MACCS_84	OCC(N)(C)C	C124685
MACCS_84	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_84	O=C(N)[O-].[NH4+]	C1111780
MACCS_84	Nc1cccc(C)c1C	C1300738
MACCS_84	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_84	NNC(=S)NN	C2231574
MACCS_84	Nc1c(C)cccc1CC	C24549062
MACCS_84	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_84	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_84	O=S(=O)(N)O	C5329146
MACCS_84	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_84	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_84	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_84	Nc1ccc(CCCCC)cc1	C33228443
MACCS_84	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_84	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_84	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_84	NCCCN1CCOCC1	C123002
MACCS_84	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_84	O=C(N)Nc1ccccc1	C64108
MACCS_84	NNC(=S)NC	C6610293
MACCS_84	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_84	NCCN.I.I	C5700492
MACCS_84	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_84	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_84	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_84	Nc1ccc(CCC)cc1	C2696846
MACCS_84	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_84	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_84	Nc1ccc(cc1)OCCCC	C4344552
MACCS_84	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_84	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_84	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_84	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_84	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_84	NP(=O)(OC)SC	C10265926
MACCS_84	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_84	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_84	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_84	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_84	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_84	N#CN	C420042
MACCS_84	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_84	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_84	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_84	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_84	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_84	NC(=O)C=C	C79061
MACCS_84	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_84	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_84	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_84	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_84	Nc1c(ccc(c1)Cl)N	C95830
MACCS_84	Nc1ccc(cc1)Cl	C106478
MACCS_84	Nc1cc(ccc1OC)C	C120718
MACCS_84	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_84	Nc1c(ccc(c1)N)C	C95807
MACCS_84	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_84	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_84	O=C(c1ccncc1)NN	C54853
MACCS_84	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_84	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_84	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_84	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_84	Nc1cc2c(cccc2)cc1	C91598
MACCS_84	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_84	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_84	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_84	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_84	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_84	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_84	Nc1cc(ccc1)N	C108452
MACCS_84	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_84	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_84	C(=O)(N)N	C57136
MACCS_84	NC(=O)OCC	C51796
MACCS_84	Nc1ccc(C)cc1	C106490
MACCS_84	OCCN	C141435
MACCS_84	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_84	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_84	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_84	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_84	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_84	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_84	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_84	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_84	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_84	Nc1c(OC)cccc1	C90040
MACCS_84	NC1CCCCC1	C108918
MACCS_84	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_84	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_84	O=C(O)c1ccc(N)cc1	C150130
MACCS_84	Oc1c(ccc(N)c1)C	C2835952
MACCS_84	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_84	Nc1cc(C)ccc1N	C496720
MACCS_84	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_84	C(=O)(N)NO	C127071
MACCS_84	O=C(OC)c1c(N)cccc1	C134203
MACCS_84	Nc1c(N)cccc1	C95545
MACCS_84	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_84	Nc1c(cccc1)C	C95534
MACCS_84	Nc1c(cccc1C)C	C87627
MACCS_84	Nc1cccc(C)c1	C108441
MACCS_84	Nc1c(CC)cccc1CC	C579668
MACCS_84	Nc1cccc(C)c1N	C2687254
MACCS_84	O=C(N)C(=C)C	C79390
MACCS_84	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_84	Nn1cnnc1	C584134
MACCS_84	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_84	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_84	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_84	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_84	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_84	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_84	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_84	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_84	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_84	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_84	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_84	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_84	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_84	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_84	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_84	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_84	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_84	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_84	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_84	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_84	C(=O)N	C75127
MACCS_84	NCCOCCOCCN	C929599
MACCS_84	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_84	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_84	NCc1cccc(CN)c1	C1477550
MACCS_84	NCCN	C107153
MACCS_84	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_84	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_84	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_84	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_84	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_84	Clc1ccc(N)cc1.Cl	C20265967
MACCS_84	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_84	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_84	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_84	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_84	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_84	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_84	NNc1ccccc1.Cl	C59881
MACCS_84	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_84	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_84	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_84	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_84	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_84	Nc1ccc(Br)cc1	C106401
MACCS_84	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_84	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_84	Nc1ccc(OC)cc1	C104949
MACCS_84	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_84	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_84	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_84	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_84	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_84	CCCCCCCCCCCCN.Cl	C929737
MACCS_84	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_84	NCCCOCCCCCCCC	C15930662
MACCS_84	Nc1cccc(C)n1	C1824813
MACCS_84	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_84	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_84	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_84	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_84	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_84	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_84	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_84	NNC(=O)OCc1ccccc1	C5331431
MACCS_84	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_84	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_85	CC(CNCC(C)O)O	C110974
MACCS_85	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_85	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_85	O=NN1CCCC1	C930552
MACCS_85	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_85	OCCOCCOCCOCCCC	C143226
MACCS_85	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_85	OCCN1CCNCC1	C103764
MACCS_85	CCNCCO	C110736
MACCS_85	NCCN1CCNCC1	C140318
MACCS_85	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_85	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_85	C(OCCCC)C1CO1	C2426086
MACCS_85	N(CCN)CCN	C111400
MACCS_85	C1COCCN1	C110918
MACCS_85	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_85	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_85	N1CCCCCC1	C111499
MACCS_85	O=C(C)OCCOCCCC	C112072
MACCS_85	OCCOCCOCCOC	C112356
MACCS_85	OCCOCCOCCOCCO	C112607
MACCS_85	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_85	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_85	OCCOCCOCCOCCOCCCC	C1559348
MACCS_85	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_85	OCCOCCC	C2807309
MACCS_85	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_85	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_85	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_85	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_85	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_85	CN1CCOCC1	C109024
MACCS_85	OC(C)COCCC	C1569013
MACCS_85	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_85	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_85	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_85	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_85	OCCSCCCCCCCC	C3547339
MACCS_85	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_85	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_85	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_85	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_85	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_85	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_85	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_85	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_85	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_85	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_85	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_85	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_85	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_85	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_85	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_85	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_85	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_85	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_85	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_85	CC(O)COCC	C1569024
MACCS_85	NCCCN1CCOCC1	C123002
MACCS_85	OCCOCC(CC)CCCC	C1559359
MACCS_85	OCCN(CC)CCO	C139877
MACCS_85	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_85	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_85	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_85	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_85	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_85	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_85	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_85	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_85	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_85	OCCOCC(C)OCCO	C9003116
MACCS_85	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_85	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_85	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_85	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_85	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_85	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_85	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_85	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_85	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_85	CCCN(CCC)C(=O)SCC	C759944
MACCS_85	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_85	O=C(SCC)N1CCCCCC1	C2212671
MACCS_85	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_85	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_85	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_85	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_85	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_85	CN1CN(C)CSC1=S	C533744
MACCS_85	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_85	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_85	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_85	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_85	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_85	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_85	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_85	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_85	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_85	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_85	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_85	ClCCOCCCl	C111444
MACCS_85	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_85	OCCOCCO	C111466
MACCS_85	C1N2CN3CN(C2)CN1C3	C100970
MACCS_85	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_85	O=NN(CCCC)CCCC	C924163
MACCS_85	CCN(CC)N=O	C55185
MACCS_85	O=NN(CCC)CCC	C621647
MACCS_85	C1CNCCN1	C110850
MACCS_85	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_85	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_85	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_85	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_85	OCCN(CCO)CCO	C102716
MACCS_85	OCCOCCOCCO	C112276
MACCS_85	CCCCOCCOCCO	C112345
MACCS_85	CCN(CC)c1ccccc1	C91667
MACCS_85	CCN(CCO)CC	C100378
MACCS_85	CC(=O)OCCOCC	C111159
MACCS_85	OCCNCCO	C111422
MACCS_85	CCOCCOCCO	C111900
MACCS_85	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_85	CCOCCO	C110805
MACCS_85	CCCCOCCO	C111762
MACCS_85	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_85	OCCOCCOCCOCC	C112505
MACCS_85	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_85	O(CCOC)CCOC	C111966
MACCS_85	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_85	O(CCOC)CCO	C111773
MACCS_85	N(CCCC)(CCCC)CCCC	C102829
MACCS_85	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_85	C(OCCOC)COCCOC	C112492
MACCS_85	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_85	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_85	OCCOCCCCCC	C112254
MACCS_85	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_85	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_85	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_85	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_85	CCC12N(COC1)COC2	C7747355
MACCS_85	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_85	S=P(OCC)(OCC)SCSCC	C298022
MACCS_85	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_85	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_85	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_85	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_85	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_85	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_85	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_85	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_85	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_85	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_85	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_85	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_85	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_85	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_85	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_85	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_85	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_85	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_85	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_85	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_85	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_85	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_85	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_85	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_85	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_85	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_85	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_85	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_85	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_85	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_85	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_85	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_85	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_85	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_85	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_85	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_85	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_85	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_85	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_85	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_85	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_85	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_85	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_85	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_85	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_85	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_85	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_85	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_85	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_85	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_85	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_85	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_85	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_85	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_85	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_85	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_85	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_85	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_85	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_85	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_85	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_85	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_85	NCCOCCOCCN	C929599
MACCS_85	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_85	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_85	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_85	CCN(CC)CC	C121448
MACCS_85	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_85	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_85	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_85	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_85	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_85	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_85	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_85	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_85	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_85	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_85	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_85	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_85	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_85	Br[Sn](CC)(CC)CC	C2767546
MACCS_85	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_85	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_85	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_85	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_85	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_85	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_85	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_85	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_85	O=CN1CCCCC1	C2591868
MACCS_85	O=C(O)CCSCCC(=O)O	C111171
MACCS_85	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_85	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_85	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_85	NCCCOCCCCCCCC	C15930662
MACCS_85	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_85	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_85	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_85	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_85	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_85	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_85	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_85	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_85	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_86	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_86	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_86	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_86	Clc1c(ccc(c1)N)C	C95749
MACCS_86	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_86	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_86	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_86	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_86	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_86	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_86	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_86	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_86	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_86	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_86	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_86	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_86	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_86	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_86	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_86	Oc1ccc(Cl)cc1	C106489
MACCS_86	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_86	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_86	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_86	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_86	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_86	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_86	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_86	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_86	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_86	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_86	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_86	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_86	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_86	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_86	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_86	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_86	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_86	Oc1cc(Cl)ccc1Cl	C583788
MACCS_86	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_86	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_86	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_86	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_86	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_86	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_86	Brc1ccc(F)cc1	C460004
MACCS_86	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_86	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_86	Clc1cccc(C)c1	C25168052
MACCS_86	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_86	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_86	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_86	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_86	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_86	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_86	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_86	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_86	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_86	Clc1c(Cl)ssc1=O	C1192525
MACCS_86	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_86	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_86	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_86	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_86	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_86	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_86	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_86	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_86	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_86	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_86	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_86	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_86	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_86	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_86	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_86	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_86	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_86	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_86	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_86	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_86	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_86	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_86	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_86	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_86	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_86	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_86	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_86	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_86	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_86	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_86	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_86	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_86	Clc1ccc(CCCC)cc1	C15499271
MACCS_86	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_86	Clc1ccc(CCCCC)cc1	C79098207
MACCS_86	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_86	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_86	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_86	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_86	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_86	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_86	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_86	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_86	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_86	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_86	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_86	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_86	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_86	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_86	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_86	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_86	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_86	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_86	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_86	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_86	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_86	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_86	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_86	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_86	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_86	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_86	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_86	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_86	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_86	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_86	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_86	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_86	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_86	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_86	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_86	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_86	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_86	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_86	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_86	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_86	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_86	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_86	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_86	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_86	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_86	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_86	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_86	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_86	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_86	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_86	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_86	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_86	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_86	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_86	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_86	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_86	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_86	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_86	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_86	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_86	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_86	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_86	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_86	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_86	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_86	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_86	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_86	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_86	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_86	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_86	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_86	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_86	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_86	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_86	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_86	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_86	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_86	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_86	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_86	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_86	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_86	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_86	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_86	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_86	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_86	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_86	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_86	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_86	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_86	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_86	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_86	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_86	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_86	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_86	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_86	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_86	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_86	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_86	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_86	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_86	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_86	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_86	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_86	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_86	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_86	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_86	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_86	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_86	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_86	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_86	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_86	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_86	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_86	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_86	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_86	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_86	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_86	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_86	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_86	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_86	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_86	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_86	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_86	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_86	Nc1c(ccc(c1)Cl)N	C95830
MACCS_86	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_86	Nc1ccc(cc1)Cl	C106478
MACCS_86	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_86	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_86	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_86	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
MACCS_86	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_86	Clc1c(cccc1)Cl	C95501
MACCS_86	Clc1ccc(cc1)Cl	C106467
MACCS_86	Clc1c(ccc(c1)Cl)O	C120832
MACCS_86	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_86	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_86	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_86	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_86	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_86	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_86	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_86	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_86	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_86	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_86	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_86	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_86	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_86	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_86	Oc1ccccc1Cl	C95578
MACCS_86	Oc1cc(C)c(Cl)cc1	C59507
MACCS_86	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_86	Clc1cc(Cl)ccc1	C541731
MACCS_86	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_86	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_86	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_86	Cc1ccccc1Cl	C95498
MACCS_86	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_86	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_86	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_86	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_86	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_86	Cc1ccc(Cl)cc1	C106434
MACCS_86	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_86	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_86	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_86	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_86	Clc1c(Cl)cccc1Cl	C87616
MACCS_86	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_86	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_86	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_86	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_86	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_86	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_86	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_86	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_86	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_86	O=c1n(C)sc(Cl)c1	C26172554
MACCS_86	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_86	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_86	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_86	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_86	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_86	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_86	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_86	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_86	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_86	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_86	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_86	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_86	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_86	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_86	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_86	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_86	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_86	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_86	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_86	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_86	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_86	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_86	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_86	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_86	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_86	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_86	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_86	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_86	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_86	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_86	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_86	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_86	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_86	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_86	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_86	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_86	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_86	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_86	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_86	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_86	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_86	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_86	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_86	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_86	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_86	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_86	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_86	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_86	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_86	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_86	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_86	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_86	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_86	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_86	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_86	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_86	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_86	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_86	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_86	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_86	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_86	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_86	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_86	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_86	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_86	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_86	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_86	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_86	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_86	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_86	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_86	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_86	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_86	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_86	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_86	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_86	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_86	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_86	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_86	Clc1ccc(N)cc1.Cl	C20265967
MACCS_86	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_86	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_86	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_86	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_86	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_86	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_86	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_86	Nc1ccc(Br)cc1	C106401
MACCS_86	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_86	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_86	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_86	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_86	Brc1ccccc1c1ccccc1	C2052075
MACCS_86	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_86	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_86	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_86	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_86	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_86	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_86	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_86	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_86	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_86	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_86	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_86	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_86	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_86	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_86	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_86	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_86	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_86	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_86	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_86	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_86	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_86	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_86	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_86	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_86	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_86	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_86	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_86	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_86	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_86	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_86	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_86	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_86	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_86	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_86	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_86	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_86	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_86	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_86	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_86	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_86	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_86	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_86	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_86	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_86	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_86	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_86	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_86	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_86	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_86	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_86	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_87	C=CCN=C=S	C57067
MACCS_87	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_87	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_87	S=C(NCC)NCC	C105555
MACCS_87	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_87	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_87	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_87	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_87	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_87	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_87	NC(=S)N	C62566
MACCS_87	CS(=O)C	C67685
MACCS_87	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_87	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_87	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_87	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_87	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_87	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_87	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_87	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_87	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_87	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_87	c1ccc2ncsc2c1	C95169
MACCS_87	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_87	C(CCCCCC)CCCCCS	C112550
MACCS_87	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_87	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_87	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_87	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_87	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_87	O=C(O)CS	C68111
MACCS_87	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_87	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_87	Sc1ccccc1	C108985
MACCS_87	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_87	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_87	NNC(=S)NN	C2231574
MACCS_87	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_87	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_87	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_87	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_87	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_87	SC(C)(C)CCCCCC	C25360105
MACCS_87	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_87	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_87	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_87	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_87	[S-]C(=S)NC.[Na+]	C137428
MACCS_87	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_87	N#C[S-].[NH4+]	C1762954
MACCS_87	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_87	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_87	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_87	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_87	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_87	OCCSCCCCCCCC	C3547339
MACCS_87	Clc1c(Cl)ssc1=O	C1192525
MACCS_87	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_87	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_87	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_87	O=S(=O)(N)O	C5329146
MACCS_87	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_87	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_87	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_87	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_87	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_87	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_87	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_87	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_87	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_87	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_87	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_87	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_87	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_87	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_87	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_87	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_87	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_87	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_87	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_87	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_87	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_87	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_87	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_87	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_87	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_87	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_87	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_87	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_87	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_87	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_87	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_87	S=C(NC)NC	C534134
MACCS_87	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_87	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_87	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_87	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_87	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_87	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_87	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_87	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_87	NNC(=S)NC	C6610293
MACCS_87	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_87	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_87	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_87	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_87	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_87	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_87	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_87	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_87	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_87	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_87	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_87	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_87	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_87	c12ccccc1c1c(cccc1)s2	C132650
MACCS_87	Sc1ccc(C)cc1	C106456
MACCS_87	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_87	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_87	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_87	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_87	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_87	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_87	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_87	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_87	S=C1NCCN1	C96457
MACCS_87	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_87	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_87	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_87	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_87	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_87	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_87	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_87	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_87	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_87	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_87	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_87	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_87	CSC(=NOC(=O)NC)C	C16752775
MACCS_87	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_87	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_87	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_87	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_87	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_87	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_87	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_87	CCCN(CCC)C(=O)SCC	C759944
MACCS_87	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_87	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_87	NP(=O)(OC)SC	C10265926
MACCS_87	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_87	O=C(SCC)N1CCCCCC1	C2212671
MACCS_87	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_87	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_87	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_87	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_87	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_87	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_87	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_87	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_87	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_87	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_87	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_87	CN1CN(C)CSC1=S	C533744
MACCS_87	C(SC#N)SC#N	C6317186
MACCS_87	S=C=NC	C556616
MACCS_87	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_87	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_87	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_87	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_87	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_87	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_87	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_87	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_87	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_87	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_87	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_87	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_87	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_87	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_87	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_87	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_87	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_87	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_87	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_87	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_87	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_87	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_87	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_87	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_87	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_87	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_87	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_87	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_87	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_87	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_87	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_87	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_87	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_87	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_87	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_87	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_87	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_87	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_87	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_87	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_87	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_87	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_87	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_87	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_87	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_87	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_87	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_87	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_87	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_87	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_87	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_87	Sc1nc2c(cccc2)s1	C149304
MACCS_87	[nH]1c(=S)n(cc1)C	C60560
MACCS_87	CS(=O)(=O)OC	C66273
MACCS_87	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_87	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_87	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_87	O=S1(=O)CCCO1	C1120714
MACCS_87	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_87	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_87	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_87	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_87	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_87	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_87	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_87	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_87	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_87	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_87	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_87	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_87	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_87	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_87	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_87	O=S(=O)(OCC)OCC	C64675
MACCS_87	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_87	O=S(=O)(OC)OC	C77781
MACCS_87	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_87	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_87	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_87	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_87	ON=CC(C)(C)SC	C1646759
MACCS_87	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_87	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_87	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_87	O=c1ccsn1CCCCCCCC	C26530201
MACCS_87	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_87	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_87	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_87	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_87	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_87	S=P(OCC)(OCC)SCSCC	C298022
MACCS_87	O=c1[nH]sc2c1cccc2	C2634335
MACCS_87	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_87	O=c1n(C)sc(Cl)c1	C26172554
MACCS_87	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_87	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_87	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_87	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_87	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_87	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_87	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_87	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_87	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_87	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_87	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_87	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_87	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_87	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_87	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_87	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_87	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_87	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_87	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_87	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_87	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_87	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_87	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_87	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_87	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_87	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_87	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_87	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_87	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_87	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_87	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_87	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_87	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_87	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_87	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_87	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_87	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_87	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_87	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_87	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_87	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_87	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_87	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_87	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_87	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_87	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_87	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_87	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_87	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_87	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_87	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_87	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_87	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_87	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_87	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_87	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_87	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_87	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_87	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_87	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_87	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_87	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_87	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_87	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_87	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_87	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_87	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_87	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_87	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_87	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_87	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_87	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_87	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_87	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_87	S=C(NCCCC)NCCCC	C109466
MACCS_87	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_87	O=CCCSC	C3268493
MACCS_87	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_87	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_87	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_87	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_87	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_87	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_87	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_87	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_87	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_87	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_87	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_87	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_87	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_87	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_87	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_87	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_87	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_87	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_87	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_87	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_87	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_87	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_87	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_87	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_87	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_87	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_87	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_87	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_87	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_87	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_87	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_87	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_87	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_87	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_87	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_87	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_87	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_87	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_87	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_87	N#CSCCCCCCCCCCCC	C765151
MACCS_87	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_87	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_87	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_87	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_87	O=C(O)CCSCCC(=O)O	C111171
MACCS_87	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_87	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_87	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_87	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_87	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_87	SC1CCCC1	C1679078
MACCS_87	S=C=NCCCSC	C505793
MACCS_87	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_87	c1(SSc2cccs2)cccs1	C6911519
MACCS_87	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_87	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_87	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_87	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_88	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_88	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_88	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_88	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_88	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_88	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_88	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_88	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_88	CN(C(=O)N)N=O	C684935
MACCS_88	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_88	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_88	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_88	c1(O)ccccc1C(=O)N	C65452
MACCS_88	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_88	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_88	O=Cc1ccccc1O	C90028
MACCS_88	CCOC(=O)CC(=O)OCC	C105533
MACCS_88	CC(O)CC(C)(C)O	C107415
MACCS_88	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_88	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_88	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_88	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_88	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_88	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_88	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_88	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_88	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_88	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_88	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_88	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_88	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_88	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_88	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_88	NC(CO)(CO)CO	C77861
MACCS_88	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_88	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_88	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_88	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_88	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_88	C(OCCCC)C1CO1	C2426086
MACCS_88	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_88	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_88	C(C(=O)C)C(C)(C)O	C123422
MACCS_88	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_88	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_88	OCNC(=O)NCO	C140954
MACCS_88	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_88	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_88	OCC(C(O)CCC)CC	C94962
MACCS_88	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_88	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_88	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_88	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_88	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_88	O=C(O)c1ccccc1O	C69727
MACCS_88	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_88	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_88	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_88	OCC(CO)(CO)CO	C115775
MACCS_88	OCC(C)(C)CO	C126307
MACCS_88	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_88	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_88	O=C(N(C)C)CC(=O)C	C2044646
MACCS_88	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_88	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_88	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_88	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_88	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_88	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_88	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_88	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_88	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_88	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_88	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_88	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_88	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_88	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_88	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_88	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_88	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_88	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_88	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_88	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_88	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_88	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_88	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_88	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_88	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_88	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_88	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_88	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_88	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_88	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_88	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_88	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_88	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_88	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_88	O=C(c1ccccc1O)C	C118934
MACCS_88	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_88	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_88	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_88	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_88	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_88	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_88	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_88	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_88	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_88	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_88	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_88	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_88	O=c1ccoc(CC)c1O	C4940118
MACCS_88	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_88	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_88	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_88	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_88	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_88	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_88	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_88	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_88	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_88	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_88	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_88	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_88	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_88	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_88	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_88	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_88	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_88	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_88	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_88	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_88	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_88	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_88	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_88	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_88	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_88	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_88	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_88	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_88	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_88	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_88	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_88	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_88	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_88	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_88	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_88	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_88	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_88	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_88	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_88	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_88	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_88	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_88	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_88	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_88	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_88	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_88	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_88	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_88	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_88	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_88	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_88	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_88	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_88	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_88	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_88	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_88	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_88	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_88	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_88	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_88	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_88	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_88	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_88	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_88	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_88	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_88	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_88	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_88	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_88	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_88	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_88	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_88	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_88	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_88	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_88	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_88	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_88	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_88	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_88	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_88	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_88	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_88	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_88	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_88	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_88	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_88	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_88	OCC(CO)(CBr)CBr	C3296900
MACCS_88	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_88	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_88	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_88	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_88	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_88	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_88	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_88	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_88	OCC(O)CO	C56815
MACCS_88	OCC1CO1	C556525
MACCS_88	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_88	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_88	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_88	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_88	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_88	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_88	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_88	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_88	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_88	Oc1cc(ccc1)O	C108463
MACCS_88	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_88	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_88	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_88	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_88	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_88	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_88	CC1(C)NC(=O)NC1=O	C77714
MACCS_88	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_88	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_88	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_88	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_88	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_88	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_88	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_88	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_88	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_88	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_88	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_88	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_88	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_88	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_88	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_88	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_88	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_88	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_88	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_88	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_88	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_88	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_88	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_88	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_88	o1c(C)c(O)c(=O)cc1	C118718
MACCS_88	O=C(OC)c1c(O)cccc1	C119368
MACCS_88	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_88	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_88	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_88	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_88	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_88	OCCC(O)C	C107880
MACCS_88	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_88	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_88	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_88	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_88	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_88	O=C(O)C(O)CC(=O)O	C6915157
MACCS_88	OC(OC(O)CC)CC	C25265718
MACCS_88	OC(OCCCOC)CC	C34590948
MACCS_88	O=C(OC)CC(=O)OC	C108598
MACCS_88	CCC12N(COC1)COC2	C7747355
MACCS_88	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_88	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_88	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_88	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_88	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_88	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_88	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_88	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_88	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_88	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_88	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_88	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_88	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_88	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_88	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_88	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_88	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_88	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_88	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_88	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_88	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_88	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_88	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_88	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_88	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_88	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_88	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_88	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_88	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_88	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_88	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_88	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_88	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_88	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_88	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_88	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_88	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_88	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_88	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_88	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_88	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_88	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_88	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_88	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_88	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_88	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_88	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_88	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_88	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_88	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_88	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_88	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_88	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_88	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_88	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_88	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_88	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_88	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_88	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_88	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_88	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_88	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_88	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_88	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_88	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_88	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_88	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_88	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_88	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_88	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_88	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_88	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_88	OCCC(OC)C	C2517433
MACCS_88	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_88	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_88	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_88	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_88	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_88	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_88	CC1CC(=O)O1	C3068880
MACCS_88	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_88	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_88	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_88	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_88	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_88	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_88	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_88	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_88	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_88	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_88	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_88	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_88	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_88	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_88	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_88	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_88	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_88	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_88	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_88	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_88	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_88	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_88	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_88	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_88	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_88	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_88	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_88	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_88	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_88	O=c1cc(C)o[nH]1	C10004441
MACCS_88	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_88	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_88	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_88	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_88	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_88	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_88	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_88	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_88	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_88	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_88	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_88	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_88	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_88	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_88	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_88	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_88	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_88	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_88	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_88	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_88	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_88	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_88	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_88	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_88	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_88	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_88	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_88	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_88	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_88	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_88	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_88	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_88	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_88	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_88	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_88	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_89	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_89	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_89	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_89	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_89	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_89	S=C(NCC)NCC	C105555
MACCS_89	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_89	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_89	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_89	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_89	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_89	OC(CO)CCl	C96242
MACCS_89	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_89	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_89	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_89	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_89	CCCCCCCCCCCC(=O)O	C143077
MACCS_89	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_89	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_89	OC(=O)CCCC	C109524
MACCS_89	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_89	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_89	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_89	ON=C1CCCCC1	C100641
MACCS_89	C1CCCCC1O	C108930
MACCS_89	CCCCCCO	C111273
MACCS_89	CCCCCCCO	C111706
MACCS_89	CCCCCCCCCCCCN	C124221
MACCS_89	CCCCCCCCCO	C143088
MACCS_89	CCCCCCCCCCN	C2016571
MACCS_89	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_89	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_89	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_89	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_89	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_89	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_89	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_89	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_89	c1(c(CC)cccc1)O	C90006
MACCS_89	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_89	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_89	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_89	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_89	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_89	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_89	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_89	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_89	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_89	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_89	C(=O)(O)CCC(=O)O	C110156
MACCS_89	NC(CO)(CO)CO	C77861
MACCS_89	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_89	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_89	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_89	ON=CCCC	C110690
MACCS_89	OCCCCO	C110634
MACCS_89	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_89	C(CCN)CCCN	C124094
MACCS_89	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_89	N(CCCN)(C)C	C109557
MACCS_89	OCNC(=O)NCO	C140954
MACCS_89	C(CCCCCC)CCCCCS	C112550
MACCS_89	OCC(C(O)CCC)CC	C94962
MACCS_89	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_89	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_89	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_89	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_89	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_89	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_89	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_89	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_89	N1CCCCCC1	C111499
MACCS_89	OCC(CO)(CO)CO	C115775
MACCS_89	OC(CCCCCC)C	C123966
MACCS_89	OCC(C)(C)CO	C126307
MACCS_89	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_89	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_89	O=C1NCCC1	C616455
MACCS_89	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_89	OC1CCCCCCCCCCC1	C1724396
MACCS_89	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_89	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_89	Nc1c(C)cccc1CC	C24549062
MACCS_89	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_89	SC(C)(C)CCCCCC	C25360105
MACCS_89	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_89	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_89	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_89	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_89	OC(CCCC(C)C)(C)CC	C78693
MACCS_89	OCC1OCCC1	C97994
MACCS_89	OCC(CCC)CCCCC	C10042598
MACCS_89	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_89	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_89	OC1CC(CCC1C(C)C)C	C1490046
MACCS_89	OC(OCCCC)CC	C29387868
MACCS_89	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_89	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_89	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_89	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_89	OC1CCCC1	C96413
MACCS_89	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_89	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_89	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_89	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_89	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_89	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_89	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_89	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_89	OC(CCCCC)C=C	C3391864
MACCS_89	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_89	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_89	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_89	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_89	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_89	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_89	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_89	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_89	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_89	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_89	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_89	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_89	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_89	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_89	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_89	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_89	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_89	Oc1ccccc1CN(C)C	C120650
MACCS_89	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_89	OC(CCCC(C)C)(C)C	C13254347
MACCS_89	O=c1ccoc(CC)c1O	C4940118
MACCS_89	NCCCN1CCOCC1	C123002
MACCS_89	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_89	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_89	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_89	OP(OCC)OCC	C762049
MACCS_89	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_89	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_89	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_89	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_89	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_89	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_89	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_89	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_89	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_89	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_89	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_89	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_89	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_89	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_89	OCC(CCCC)CCCCCC	C3913028
MACCS_89	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_89	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_89	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_89	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_89	OC1CCC(CCCC)CC1	C70568604
MACCS_89	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_89	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_89	S=C1NCCN1	C96457
MACCS_89	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_89	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_89	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_89	ClCCP(=O)(O)O	C16672870
MACCS_89	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_89	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_89	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_89	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_89	O=C(NCCCC)OCC#CI	C55406536
MACCS_89	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_89	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_89	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_89	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_89	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_89	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_89	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_89	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_89	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_89	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_89	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_89	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_89	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_89	OCC(CO)(CBr)CBr	C3296900
MACCS_89	O=C1CCCCCN1	C105602
MACCS_89	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_89	CCC(CCCC)CO	C104767
MACCS_89	OCC(O)CO	C56815
MACCS_89	OCC1CO1	C556525
MACCS_89	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_89	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_89	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_89	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_89	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_89	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_89	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_89	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_89	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_89	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_89	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_89	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_89	NC(=O)OCC	C51796
MACCS_89	OC(=O)CCC	C107926
MACCS_89	CCCCCCCCCC(=O)O	C334485
MACCS_89	O=C(O)CCCCCC	C111148
MACCS_89	OC(=O)CCCCC(=O)O	C124049
MACCS_89	CCCCCC(=O)O	C142621
MACCS_89	CCCCCCCCC(=O)O	C112050
MACCS_89	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_89	CCCCCCCC(=O)O	C124072
MACCS_89	CCC(=NO)C	C96297
MACCS_89	CCCCCCCCO	C111875
MACCS_89	CCCCCCCCCCO	C112301
MACCS_89	CCCCCCCCCCCCCO	C112709
MACCS_89	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_89	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_89	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_89	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_89	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_89	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_89	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_89	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_89	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_89	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_89	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_89	C(=O)(O)C(CCC)CCC	C99661
MACCS_89	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_89	NC1CCCCC1	C108918
MACCS_89	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_89	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_89	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_89	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_89	O=C(O)C(CCCC)CC	C149575
MACCS_89	OCCC(O)C	C107880
MACCS_89	OCCCCCCCCCCC	C112425
MACCS_89	OCCCCCCCCCCCC	C112538
MACCS_89	OCCCCCCCCCCCCCC	C112721
MACCS_89	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_89	Nc1c(CC)cccc1CC	C579668
MACCS_89	OCCCCCCCCCCCCCCC	C629765
MACCS_89	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_89	O=C(O)C(O)CC(=O)O	C6915157
MACCS_89	OC(OCCCOC)CC	C34590948
MACCS_89	OCCCCCCCCCCCCCCCC	C36653824
MACCS_89	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_89	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_89	O=C(O)CCCCCCCCC=C	C112389
MACCS_89	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_89	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_89	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_89	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_89	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_89	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_89	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_89	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_89	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_89	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_89	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_89	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_89	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_89	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_89	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_89	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_89	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_89	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_89	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_89	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_89	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_89	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_89	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_89	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_89	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_89	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_89	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_89	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_89	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_89	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_89	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_89	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_89	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_89	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_89	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_89	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_89	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_89	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_89	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_89	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_89	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_89	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_89	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_89	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_89	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_89	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_89	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_89	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_89	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_89	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_89	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_89	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_89	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_89	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_89	OC(C(CC)CCCC)C#C	C5877429
MACCS_89	OCCCBr	C627189
MACCS_89	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_89	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_89	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_89	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_89	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_89	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_89	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_89	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_89	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_89	S=C(NCCCC)NCCCC	C109466
MACCS_89	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_89	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_89	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_89	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_89	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_89	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_89	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_89	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_89	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_89	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_89	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_89	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_89	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_89	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_89	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_89	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_89	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_89	OCc1c[nH]c2c1cccc2	C700061
MACCS_89	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_89	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_89	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_89	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_89	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_89	O=P(OCCCC)(O)OCCCC	C107664
MACCS_89	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_89	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_89	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_89	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_89	O=C(O)CCSCCC(=O)O	C111171
MACCS_89	CCCCCCCCCCCCN.Cl	C929737
MACCS_89	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_89	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_89	O=C(OC)CCCC(=O)O	C1501275
MACCS_89	O=C(OCCCCO)C=C	C2478106
MACCS_89	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_89	NCCCOCCCCCCCC	C15930662
MACCS_89	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_89	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_89	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_89	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_89	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_89	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_89	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_89	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_89	SC1CCCC1	C1679078
MACCS_89	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_89	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_89	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_89	NNC(=O)OCc1ccccc1	C5331431
MACCS_89	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_89	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_89	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_90	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_90	CC(CNCC(C)O)O	C110974
MACCS_90	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_90	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_90	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_90	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_90	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_90	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_90	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_90	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_90	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_90	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_90	OCCOCCOCCOCCCC	C143226
MACCS_90	CCCCCCCCCCCC(=O)O	C143077
MACCS_90	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_90	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_90	OC(=O)CCCC	C109524
MACCS_90	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_90	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_90	ON=C1CCCCC1	C100641
MACCS_90	OCCN1CCNCC1	C103764
MACCS_90	C1CCCCC1O	C108930
MACCS_90	C(O)C#CCO	C110656
MACCS_90	CCNCCO	C110736
MACCS_90	CCCCCCO	C111273
MACCS_90	CCCCCCCO	C111706
MACCS_90	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_90	CCCCCCCCCCCCN	C124221
MACCS_90	NCCN1CCNCC1	C140318
MACCS_90	CCCCCCCCCO	C143088
MACCS_90	CCCCCCCCCCN	C2016571
MACCS_90	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_90	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_90	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_90	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_90	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_90	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_90	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_90	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_90	c1c(O)cccc1CC	C620177
MACCS_90	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_90	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_90	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_90	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_90	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_90	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_90	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_90	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_90	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_90	ON=CCCC	C110690
MACCS_90	OCCCCO	C110634
MACCS_90	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_90	C(CCN)CCCN	C124094
MACCS_90	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_90	N(CCN)CCN	C111400
MACCS_90	C(CCCCCC)CCCCCS	C112550
MACCS_90	OCC(C(O)CCC)CC	C94962
MACCS_90	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_90	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_90	C1COCCN1	C110918
MACCS_90	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_90	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_90	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_90	N1CCCCCC1	C111499
MACCS_90	OCCOCCOCCOC	C112356
MACCS_90	OCCOCCOCCOCCO	C112607
MACCS_90	OC(CCCCCC)C	C123966
MACCS_90	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_90	OCCOCCOCCOCCOCCCC	C1559348
MACCS_90	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_90	OC1CCCCCCCCCCC1	C1724396
MACCS_90	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_90	OCCOCCC	C2807309
MACCS_90	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_90	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_90	SC(C)(C)CCCCCC	C25360105
MACCS_90	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_90	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_90	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_90	OC(CCCC(C)C)(C)CC	C78693
MACCS_90	OCC1OCCC1	C97994
MACCS_90	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_90	OC(C)COCCC	C1569013
MACCS_90	OCC(CCC)CCCCC	C10042598
MACCS_90	OC1CC(CCC1C(C)C)C	C1490046
MACCS_90	OCCC(C)CC(C)(C)C	C3452979
MACCS_90	OC(OCCCC)CC	C29387868
MACCS_90	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_90	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_90	OCCSCCCCCCCC	C3547339
MACCS_90	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_90	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_90	OC1CCCC1	C96413
MACCS_90	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_90	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_90	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_90	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_90	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_90	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_90	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_90	OC(CCCCC)C=C	C3391864
MACCS_90	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_90	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_90	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_90	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_90	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_90	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_90	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_90	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_90	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_90	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_90	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_90	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_90	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_90	CC(O)COCC	C1569024
MACCS_90	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_90	OC(CCCC(C)C)(C)C	C13254347
MACCS_90	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_90	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_90	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_90	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_90	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_90	OC1CC(C)(C)CC(C)C1	C116029
MACCS_90	OCCOCC(CC)CCCC	C1559359
MACCS_90	OCCN(CC)CCO	C139877
MACCS_90	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_90	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_90	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_90	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_90	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_90	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_90	OC(C)C(=O)OCCCC	C138227
MACCS_90	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_90	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_90	Oc1c(OCC)cccc1	C94713
MACCS_90	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_90	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_90	OCC(CCCC)CCCCCC	C3913028
MACCS_90	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_90	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_90	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_90	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_90	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_90	OCCOCC(C)OCCO	C9003116
MACCS_90	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_90	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_90	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_90	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_90	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_90	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_90	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_90	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_90	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_90	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_90	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_90	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_90	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_90	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_90	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_90	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_90	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_90	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_90	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_90	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_90	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_90	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_90	O=C1CCCCCN1	C105602
MACCS_90	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_90	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_90	OCCOCCO	C111466
MACCS_90	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_90	CCC(CCCC)CO	C104767
MACCS_90	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_90	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_90	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_90	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_90	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_90	C1CNCCN1	C110850
MACCS_90	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_90	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_90	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_90	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_90	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_90	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_90	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_90	OCCN(CCO)CCO	C102716
MACCS_90	OCCOCCOCCO	C112276
MACCS_90	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_90	CCCCOCCOCCO	C112345
MACCS_90	CCCCCCCCCC(=O)O	C334485
MACCS_90	O=C(O)CCCCCC	C111148
MACCS_90	OC(=O)CCCCC(=O)O	C124049
MACCS_90	CCCCCC(=O)O	C142621
MACCS_90	CCCCCCCCC(=O)O	C112050
MACCS_90	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_90	CCCCCCCC(=O)O	C124072
MACCS_90	CCN(CCO)CC	C100378
MACCS_90	OCCNCCO	C111422
MACCS_90	CCCCCCCCO	C111875
MACCS_90	CCOCCOCCO	C111900
MACCS_90	CCCCCCCCCCO	C112301
MACCS_90	CCCCCCCCCCCCCO	C112709
MACCS_90	c1(c(O)cccc1)C(CC)C	C89725
MACCS_90	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_90	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_90	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_90	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_90	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_90	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_90	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_90	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_90	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_90	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_90	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_90	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_90	C(=O)(O)C(CCC)CCC	C99661
MACCS_90	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_90	NC1CCCCC1	C108918
MACCS_90	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_90	CCOCCO	C110805
MACCS_90	CCCCOCCO	C111762
MACCS_90	OCCOCCOCCOCC	C112505
MACCS_90	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_90	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_90	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_90	O(CCOC)CCO	C111773
MACCS_90	O=C(O)C(CCCC)CC	C149575
MACCS_90	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_90	OCCC(C)CCC=C(C)C	C106229
MACCS_90	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_90	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_90	OCCOCCCCCC	C112254
MACCS_90	OCCCCCCCCCCC	C112425
MACCS_90	OCCCCCCCCCCCC	C112538
MACCS_90	OCCCCCCCCCCCCCC	C112721
MACCS_90	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_90	OCCCCCCCCCCCCCCC	C629765
MACCS_90	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_90	OC(OC(O)CC)CC	C25265718
MACCS_90	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_90	OC(OCCCOC)CC	C34590948
MACCS_90	OCCCCCCCCCCCCCCCC	C36653824
MACCS_90	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_90	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_90	O=C(O)CCCCCCCCC=C	C112389
MACCS_90	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_90	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_90	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_90	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_90	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_90	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_90	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_90	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_90	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_90	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_90	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_90	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_90	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_90	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_90	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_90	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_90	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_90	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_90	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_90	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_90	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_90	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_90	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_90	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_90	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_90	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_90	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_90	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_90	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_90	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_90	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_90	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_90	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_90	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_90	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_90	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_90	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_90	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_90	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_90	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_90	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_90	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_90	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_90	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_90	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_90	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_90	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_90	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_90	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_90	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_90	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_90	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_90	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_90	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_90	OC(C(CC)CCCC)C#C	C5877429
MACCS_90	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_90	NCCOCCOCCN	C929599
MACCS_90	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_90	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_90	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_90	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_90	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_90	S=C(NCCCC)NCCCC	C109466
MACCS_90	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_90	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_90	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_90	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_90	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_90	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_90	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_90	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_90	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_90	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_90	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_90	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_90	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_90	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_90	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_90	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_90	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_90	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_90	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_90	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_90	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_90	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_90	OCc1c[nH]c2c1cccc2	C700061
MACCS_90	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_90	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_90	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_90	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_90	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_90	O=P(OCCCC)(O)OCCCC	C107664
MACCS_90	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_90	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_90	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_90	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_90	CCCCCCCCCCCCN.Cl	C929737
MACCS_90	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_90	O=C(OC)CCCC(=O)O	C1501275
MACCS_90	O=C(OCCCCO)C=C	C2478106
MACCS_90	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_90	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_90	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_90	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_90	CC1COc2ccccc2N1	C32329207
MACCS_90	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_90	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_90	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_90	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_90	SC1CCCC1	C1679078
MACCS_90	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_90	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_90	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_90	NNC(=O)OCc1ccccc1	C5331431
MACCS_90	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_90	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_90	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_90	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_91	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_91	CC(CNCC(C)O)O	C110974
MACCS_91	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_91	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_91	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_91	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_91	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_91	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_91	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_91	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_91	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_91	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_91	OCCOCCOCCOCCCC	C143226
MACCS_91	CCCCCCCCCCCC(=O)O	C143077
MACCS_91	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_91	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_91	OC(=O)CCCC	C109524
MACCS_91	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_91	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_91	ON=C1CCCCC1	C100641
MACCS_91	OCCN1CCNCC1	C103764
MACCS_91	C1CCCCC1O	C108930
MACCS_91	C(O)C#CCO	C110656
MACCS_91	CCNCCO	C110736
MACCS_91	CCCCCCO	C111273
MACCS_91	CCCCCCCO	C111706
MACCS_91	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_91	CCCCCCCCCCCCN	C124221
MACCS_91	NCCN1CCNCC1	C140318
MACCS_91	CCCCCCCCCO	C143088
MACCS_91	CCCCCCCCCCN	C2016571
MACCS_91	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_91	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_91	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_91	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_91	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_91	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_91	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_91	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_91	c1c(O)cccc1CC	C620177
MACCS_91	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_91	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_91	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_91	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_91	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_91	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_91	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_91	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_91	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_91	ON=CCCC	C110690
MACCS_91	OCCCCO	C110634
MACCS_91	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_91	C(CCN)CCCN	C124094
MACCS_91	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_91	N(CCN)CCN	C111400
MACCS_91	C(CCCCCC)CCCCCS	C112550
MACCS_91	OCC(C(O)CCC)CC	C94962
MACCS_91	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_91	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_91	C1COCCN1	C110918
MACCS_91	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_91	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_91	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_91	N1CCCCCC1	C111499
MACCS_91	OCCOCCOCCOC	C112356
MACCS_91	OCCOCCOCCOCCO	C112607
MACCS_91	OC(CCCCCC)C	C123966
MACCS_91	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_91	OCCOCCOCCOCCOCCCC	C1559348
MACCS_91	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_91	OC1CCCCCCCCCCC1	C1724396
MACCS_91	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_91	OCCOCCC	C2807309
MACCS_91	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_91	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_91	SC(C)(C)CCCCCC	C25360105
MACCS_91	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_91	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_91	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_91	OC(CCCC(C)C)(C)CC	C78693
MACCS_91	OCC1OCCC1	C97994
MACCS_91	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_91	OC(C)COCCC	C1569013
MACCS_91	OCC(CCC)CCCCC	C10042598
MACCS_91	OC1CC(CCC1C(C)C)C	C1490046
MACCS_91	OCCC(C)CC(C)(C)C	C3452979
MACCS_91	OC(OCCCC)CC	C29387868
MACCS_91	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_91	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_91	OCCSCCCCCCCC	C3547339
MACCS_91	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_91	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_91	OC1CCCC1	C96413
MACCS_91	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_91	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_91	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_91	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_91	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_91	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_91	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_91	OC(CCCCC)C=C	C3391864
MACCS_91	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_91	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_91	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_91	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_91	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_91	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_91	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_91	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_91	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_91	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_91	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_91	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_91	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_91	CC(O)COCC	C1569024
MACCS_91	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_91	OC(CCCC(C)C)(C)C	C13254347
MACCS_91	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_91	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_91	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_91	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_91	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_91	OC1CC(C)(C)CC(C)C1	C116029
MACCS_91	OCCOCC(CC)CCCC	C1559359
MACCS_91	OCCN(CC)CCO	C139877
MACCS_91	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_91	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_91	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_91	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_91	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_91	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_91	OC(C)C(=O)OCCCC	C138227
MACCS_91	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_91	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_91	Oc1c(OCC)cccc1	C94713
MACCS_91	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_91	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_91	OCC(CCCC)CCCCCC	C3913028
MACCS_91	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_91	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_91	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_91	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_91	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_91	OCCOCC(C)OCCO	C9003116
MACCS_91	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_91	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_91	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_91	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_91	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_91	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_91	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_91	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_91	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_91	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_91	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_91	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_91	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_91	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_91	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_91	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_91	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_91	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_91	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_91	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_91	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_91	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_91	O=C1CCCCCN1	C105602
MACCS_91	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_91	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_91	OCCOCCO	C111466
MACCS_91	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_91	CCC(CCCC)CO	C104767
MACCS_91	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_91	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_91	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_91	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_91	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_91	C1CNCCN1	C110850
MACCS_91	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_91	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_91	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_91	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_91	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_91	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_91	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_91	OCCN(CCO)CCO	C102716
MACCS_91	OCCOCCOCCO	C112276
MACCS_91	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_91	CCCCOCCOCCO	C112345
MACCS_91	CCCCCCCCCC(=O)O	C334485
MACCS_91	O=C(O)CCCCCC	C111148
MACCS_91	OC(=O)CCCCC(=O)O	C124049
MACCS_91	CCCCCC(=O)O	C142621
MACCS_91	CCCCCCCCC(=O)O	C112050
MACCS_91	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_91	CCCCCCCC(=O)O	C124072
MACCS_91	CCN(CCO)CC	C100378
MACCS_91	OCCNCCO	C111422
MACCS_91	CCCCCCCCO	C111875
MACCS_91	CCOCCOCCO	C111900
MACCS_91	CCCCCCCCCCO	C112301
MACCS_91	CCCCCCCCCCCCCO	C112709
MACCS_91	c1(c(O)cccc1)C(CC)C	C89725
MACCS_91	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_91	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_91	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_91	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_91	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_91	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_91	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_91	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_91	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_91	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_91	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_91	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_91	C(=O)(O)C(CCC)CCC	C99661
MACCS_91	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_91	NC1CCCCC1	C108918
MACCS_91	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_91	CCOCCO	C110805
MACCS_91	CCCCOCCO	C111762
MACCS_91	OCCOCCOCCOCC	C112505
MACCS_91	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_91	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_91	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_91	O(CCOC)CCO	C111773
MACCS_91	O=C(O)C(CCCC)CC	C149575
MACCS_91	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_91	OCCC(C)CCC=C(C)C	C106229
MACCS_91	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_91	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_91	OCCOCCCCCC	C112254
MACCS_91	OCCCCCCCCCCC	C112425
MACCS_91	OCCCCCCCCCCCC	C112538
MACCS_91	OCCCCCCCCCCCCCC	C112721
MACCS_91	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_91	OCCCCCCCCCCCCCCC	C629765
MACCS_91	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_91	OC(OC(O)CC)CC	C25265718
MACCS_91	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_91	OC(OCCCOC)CC	C34590948
MACCS_91	OCCCCCCCCCCCCCCCC	C36653824
MACCS_91	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_91	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_91	O=C(O)CCCCCCCCC=C	C112389
MACCS_91	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_91	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_91	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_91	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_91	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_91	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_91	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_91	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_91	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_91	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_91	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_91	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_91	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_91	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_91	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_91	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_91	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_91	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_91	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_91	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_91	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_91	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_91	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_91	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_91	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_91	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_91	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_91	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_91	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_91	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_91	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_91	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_91	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_91	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_91	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_91	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_91	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_91	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_91	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_91	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_91	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_91	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_91	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_91	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_91	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_91	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_91	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_91	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_91	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_91	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_91	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_91	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_91	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_91	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_91	OC(C(CC)CCCC)C#C	C5877429
MACCS_91	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_91	NCCOCCOCCN	C929599
MACCS_91	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_91	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_91	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_91	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_91	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_91	S=C(NCCCC)NCCCC	C109466
MACCS_91	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_91	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_91	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_91	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_91	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_91	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_91	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_91	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_91	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_91	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_91	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_91	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_91	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_91	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_91	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_91	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_91	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_91	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_91	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_91	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_91	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_91	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_91	OCc1c[nH]c2c1cccc2	C700061
MACCS_91	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_91	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_91	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_91	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_91	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_91	O=P(OCCCC)(O)OCCCC	C107664
MACCS_91	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_91	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_91	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_91	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_91	CCCCCCCCCCCCN.Cl	C929737
MACCS_91	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_91	O=C(OC)CCCC(=O)O	C1501275
MACCS_91	O=C(OCCCCO)C=C	C2478106
MACCS_91	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_91	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_91	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_91	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_91	CC1COc2ccccc2N1	C32329207
MACCS_91	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_91	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_91	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_91	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_91	SC1CCCC1	C1679078
MACCS_91	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_91	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_91	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_91	NNC(=O)OCc1ccccc1	C5331431
MACCS_91	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_91	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_91	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_91	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_92	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_92	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_92	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_92	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_92	ClCOC	C107302
MACCS_92	CN(C)C(=O)C	C127195
MACCS_92	CN(CCO)C	C108010
MACCS_92	CN(C)N	C57147
MACCS_92	C=CCc1ccc(cc1)OC	C140670
MACCS_92	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_92	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_92	COc1ccc(cc1)O	C150765
MACCS_92	NC(=O)OC	C598550
MACCS_92	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_92	CN(C(=O)N)N=O	C684935
MACCS_92	CN(N=O)C	C62759
MACCS_92	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_92	O=P(OC)(OC)OC	C512561
MACCS_92	CS(=O)C	C67685
MACCS_92	COc1ccc(OC)cc1	C150787
MACCS_92	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_92	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_92	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_92	c1cccc(OC)c1O	C90051
MACCS_92	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_92	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_92	C[Si](=O)C	C9016006
MACCS_92	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_92	CNC	C124403
MACCS_92	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_92	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_92	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_92	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_92	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_92	CC(O)COC	C107982
MACCS_92	N(C)(C)c1cccc(O)c1	C99070
MACCS_92	N(CCCN)(C)C	C109557
MACCS_92	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_92	N(C)(C)C	C75503
MACCS_92	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_92	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_92	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_92	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_92	O=C(OC)CCCCCCCCC	C110429
MACCS_92	CCCCCCCCCCCCN(C)C	C112185
MACCS_92	OCCOCCOCCOC	C112356
MACCS_92	O=Cc1ccc(OC)cc1	C123115
MACCS_92	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_92	Cl[Sn](C)(C)Cl	C753731
MACCS_92	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_92	O=C(N(C)C)CCCCCCC	C1118929
MACCS_92	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_92	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_92	O=C(N(C)C)CC(=O)C	C2044646
MACCS_92	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_92	CN1CCOCC1	C109024
MACCS_92	[S-]C(=S)NC.[Na+]	C137428
MACCS_92	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_92	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_92	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_92	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_92	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_92	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_92	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_92	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_92	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_92	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_92	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_92	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_92	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_92	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_92	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_92	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_92	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_92	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_92	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_92	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_92	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_92	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_92	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_92	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_92	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_92	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_92	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_92	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_92	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_92	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_92	Oc1ccccc1CN(C)C	C120650
MACCS_92	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_92	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_92	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_92	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_92	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_92	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_92	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_92	S=C(NC)NC	C534134
MACCS_92	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_92	COc1ccc(CCC)cc1	C104450
MACCS_92	CO[Si](C)(C)OC	C1112396
MACCS_92	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_92	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_92	CCO[Si](OCC)(C)OCC	C2031676
MACCS_92	CO[Si](OC)(CCC)OC	C1067250
MACCS_92	NNC(=S)NC	C6610293
MACCS_92	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_92	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_92	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_92	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_92	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_92	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_92	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_92	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_92	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_92	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_92	O=C(OC)c1c(C)cccc1	C89714
MACCS_92	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_92	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_92	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_92	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_92	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_92	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_92	C[As](=O)(C)O	C75605
MACCS_92	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_92	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_92	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_92	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_92	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_92	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_92	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_92	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_92	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_92	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_92	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_92	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_92	CSC(=NOC(=O)NC)C	C16752775
MACCS_92	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_92	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_92	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_92	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_92	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_92	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_92	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_92	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_92	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_92	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_92	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_92	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_92	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_92	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_92	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_92	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_92	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_92	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_92	NP(=O)(OC)SC	C10265926
MACCS_92	OCCOC	C109864
MACCS_92	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_92	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_92	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_92	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_92	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_92	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_92	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_92	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_92	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_92	CN1CN(C)CSC1=S	C533744
MACCS_92	S=C=NC	C556616
MACCS_92	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_92	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_92	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_92	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_92	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_92	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_92	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_92	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_92	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_92	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_92	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_92	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_92	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_92	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_92	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_92	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_92	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_92	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_92	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_92	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_92	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_92	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_92	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_92	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_92	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_92	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_92	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_92	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_92	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_92	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_92	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_92	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_92	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_92	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_92	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_92	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_92	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_92	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_92	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_92	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_92	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_92	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_92	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_92	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_92	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_92	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_92	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_92	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_92	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_92	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_92	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_92	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_92	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_92	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_92	Nc1cc(ccc1OC)C	C120718
MACCS_92	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_92	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_92	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_92	CN(c1ccccc1)C	C121697
MACCS_92	O=C(N(C)C)Cl	C79447
MACCS_92	CN(C=O)C	C68122
MACCS_92	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_92	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_92	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_92	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_92	[nH]1c(=S)n(cc1)C	C60560
MACCS_92	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_92	CS(=O)(=O)OC	C66273
MACCS_92	O=C1N(CCC1)C	C872504
MACCS_92	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_92	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_92	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_92	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_92	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_92	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_92	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_92	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_92	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_92	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_92	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_92	CN(C)c1ccc(C)cc1	C99978
MACCS_92	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_92	Oc1ccc(C=CC)cc1OC	C97541
MACCS_92	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_92	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_92	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_92	Nc1c(OC)cccc1	C90040
MACCS_92	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_92	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_92	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_92	O=S(=O)(OC)OC	C77781
MACCS_92	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_92	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_92	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_92	ON=CC(C)(C)SC	C1646759
MACCS_92	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_92	O(CCOC)CCOC	C111966
MACCS_92	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_92	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_92	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_92	O(CCOC)CCO	C111773
MACCS_92	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_92	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_92	COC(=O)CCCC(=O)OC	C1119400
MACCS_92	C(=O)(OC)CCC(=O)OC	C106650
MACCS_92	O=C(OC)c1c(N)cccc1	C134203
MACCS_92	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_92	O=C(OC)c1c(O)cccc1	C119368
MACCS_92	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_92	C(OCCOC)COCCOC	C112492
MACCS_92	O=C(OC)CCCCCCC	C111115
MACCS_92	O=C(OC)CCCCCCCCCCC	C111820
MACCS_92	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_92	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_92	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_92	OC(OCCCOC)CC	C34590948
MACCS_92	O=C(OC)CC(=O)OC	C108598
MACCS_92	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_92	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_92	O=c1n(C)sc(Cl)c1	C26172554
MACCS_92	CCCCCCCCN(C)C	C7378996
MACCS_92	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_92	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_92	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_92	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_92	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_92	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_92	O=C(C)NC	C79163
MACCS_92	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_92	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_92	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_92	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_92	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_92	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_92	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_92	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_92	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_92	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_92	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_92	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_92	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_92	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_92	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_92	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_92	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_92	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_92	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_92	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_92	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_92	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_92	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_92	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_92	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_92	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_92	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_92	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_92	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_92	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_92	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_92	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_92	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_92	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_92	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_92	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_92	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_92	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_92	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_92	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_92	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_92	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_92	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_92	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_92	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_92	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_92	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_92	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_92	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_92	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_92	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_92	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_92	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_92	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_92	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_92	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_92	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_92	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_92	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_92	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_92	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_92	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_92	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_92	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_92	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_92	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_92	OCCC(OC)C	C2517433
MACCS_92	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_92	O=CCCSC	C3268493
MACCS_92	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_92	N(CCN(C)C)(C)C	C110189
MACCS_92	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_92	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_92	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_92	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_92	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_92	CN(C)c1ccc(C=O)cc1	C100107
MACCS_92	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_92	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_92	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_92	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_92	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_92	Nc1ccc(OC)cc1	C104949
MACCS_92	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_92	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_92	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_92	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_92	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_92	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_92	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_92	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_92	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_92	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_92	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_92	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_92	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_92	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_92	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_92	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_92	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_92	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_92	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_92	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_92	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_92	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_92	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_92	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_92	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_92	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_92	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_92	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_92	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_92	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_92	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_92	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_92	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_92	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_92	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_92	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_92	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_92	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_92	O=C(OC)CCCC(=O)O	C1501275
MACCS_92	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_92	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_92	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_92	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_92	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_92	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_92	COC(OC)C(C)c1ccccc1	C90879
MACCS_92	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_92	S=C=NCCCSC	C505793
MACCS_92	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_92	O=COCc1ccc(OC)cc1	C122918
MACCS_92	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_94	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_94	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_94	CC(CNCC(C)O)O	C110974
MACCS_94	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_94	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_94	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_94	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_94	CN(CCO)C	C108010
MACCS_94	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_94	CN(C(=O)N)N=O	C684935
MACCS_94	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_94	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_94	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_94	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_94	OC(C)CN	C78966
MACCS_94	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_94	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_94	OCCN1CCNCC1	C103764
MACCS_94	CCNCCO	C110736
MACCS_94	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_94	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_94	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_94	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_94	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_94	NC(CO)(CO)CO	C77861
MACCS_94	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_94	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_94	O=C(N)N=NC(=O)N	C123773
MACCS_94	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_94	C(C)(C)(O)C#N	C75865
MACCS_94	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_94	C1COCCN1	C110918
MACCS_94	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_94	OCC(N)(C)C	C124685
MACCS_94	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_94	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_94	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_94	CN1CCOCC1	C109024
MACCS_94	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_94	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_94	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_94	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_94	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_94	OCn1nc(C)cc1C	C85264331
MACCS_94	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_94	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_94	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_94	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_94	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_94	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_94	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_94	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_94	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_94	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_94	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_94	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_94	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_94	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_94	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_94	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_94	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_94	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_94	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_94	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_94	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_94	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_94	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_94	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_94	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_94	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_94	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_94	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_94	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_94	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_94	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_94	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_94	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_94	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_94	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_94	NCCCN1CCOCC1	C123002
MACCS_94	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_94	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_94	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_94	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_94	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_94	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_94	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_94	OCCN(CC)CCO	C139877
MACCS_94	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_94	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_94	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_94	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_94	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_94	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_94	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_94	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_94	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_94	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_94	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_94	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_94	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_94	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_94	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_94	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_94	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_94	CSC(=NOC(=O)NC)C	C16752775
MACCS_94	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_94	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_94	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_94	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_94	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_94	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_94	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_94	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_94	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_94	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_94	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_94	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_94	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_94	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_94	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_94	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_94	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_94	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_94	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_94	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_94	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_94	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_94	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_94	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_94	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_94	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_94	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_94	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_94	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_94	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_94	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_94	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_94	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_94	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_94	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_94	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_94	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_94	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_94	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_94	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_94	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_94	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_94	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_94	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_94	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_94	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_94	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_94	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_94	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_94	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_94	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_94	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_94	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_94	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_94	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_94	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_94	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_94	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_94	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_94	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_94	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_94	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_94	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_94	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_94	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_94	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_94	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_94	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_94	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_94	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_94	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_94	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_94	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_94	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_94	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_94	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_94	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_94	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_94	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_94	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_94	Nc1cc(ccc1OC)C	C120718
MACCS_94	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_94	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_94	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_94	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_94	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_94	Oc1cccc2cccnc12	C148243
MACCS_94	O=C(c1ccncc1)NN	C54853
MACCS_94	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_94	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_94	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_94	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_94	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_94	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_94	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_94	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_94	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_94	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_94	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_94	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_94	OCCN(CCO)CCO	C102716
MACCS_94	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_94	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_94	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_94	CC1(C)NC(=O)NC1=O	C77714
MACCS_94	CCN(CCO)CC	C100378
MACCS_94	OCCNCCO	C111422
MACCS_94	OCCN	C141435
MACCS_94	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_94	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_94	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_94	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_94	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_94	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_94	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_94	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_94	Nc1c(OC)cccc1	C90040
MACCS_94	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_94	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_94	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_94	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_94	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_94	C(=O)(N)NO	C127071
MACCS_94	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_94	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_94	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_94	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_94	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_94	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_94	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_94	CCC12N(COC1)COC2	C7747355
MACCS_94	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_94	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_94	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_94	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_94	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_94	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_94	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_94	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_94	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_94	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_94	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_94	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_94	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_94	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_94	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_94	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_94	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_94	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_94	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_94	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_94	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_94	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_94	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_94	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_94	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_94	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_94	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_94	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_94	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_94	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_94	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_94	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_94	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_94	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_94	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_94	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_94	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_94	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_94	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_94	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_94	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_94	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_94	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_94	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_94	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_94	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_94	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_94	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_94	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_94	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_94	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_94	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_94	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_94	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_94	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_94	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_94	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_94	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_94	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_94	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_94	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_94	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_94	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_94	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_94	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_94	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_94	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_94	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_94	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_94	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_94	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_94	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_94	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_94	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_94	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_94	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_94	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_94	NCCOCCOCCN	C929599
MACCS_94	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_94	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_94	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_94	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_94	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_94	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_94	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_94	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_94	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_94	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_94	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_94	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_94	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_94	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_94	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_94	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_94	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_94	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_94	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_94	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_94	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_94	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_94	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_94	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_94	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_94	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_94	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_94	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_94	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_94	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_94	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_94	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_94	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_94	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_94	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_94	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_94	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_94	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_94	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_94	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_94	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_94	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_94	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_94	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_94	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_94	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_94	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_94	CC1COc2ccccc2N1	C32329207
MACCS_94	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_94	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_94	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_94	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_94	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_94	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_94	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_94	NNC(=O)OCc1ccccc1	C5331431
MACCS_94	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_94	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_94	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_94	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_95	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_95	Nc1ccccc1.Cl	C142041
MACCS_95	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_95	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_95	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_95	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_95	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_95	[nH]1c2c(cccc2)nn1	C95147
MACCS_95	CC(=O)OCc1ccccc1	C140114
MACCS_95	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_95	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_95	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_95	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_95	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_95	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_95	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_95	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_95	Clc1c(ccc(c1)N)C	C95749
MACCS_95	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_95	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_95	O=C1CCCCC1	C108941
MACCS_95	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_95	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_95	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_95	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_95	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_95	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
MACCS_95	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_95	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_95	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_95	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_95	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_95	C=CCc1ccc(cc1)OC	C140670
MACCS_95	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_95	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_95	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_95	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_95	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_95	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_95	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_95	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_95	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_95	c1cccc2[nH]ccc12	C120729
MACCS_95	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_95	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_95	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_95	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_95	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_95	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_95	COc1ccc(cc1)O	C150765
MACCS_95	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_95	C=Cc1ccc(cc1)C	C622979
MACCS_95	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_95	NC(=O)c1cccnc1	C98920
MACCS_95	OC(=O)c1cccnc1	C59676
MACCS_95	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_95	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_95	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_95	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_95	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_95	Nc1ccc(cc1)N	C106503
MACCS_95	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_95	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_95	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_95	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_95	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_95	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_95	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_95	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_95	Nc1ccccc1C.Cl	C636215
MACCS_95	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_95	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_95	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_95	O=CCc1ccccc1	C122781
MACCS_95	c1(O)ccccc1C(=O)N	C65452
MACCS_95	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_95	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_95	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_95	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_95	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_95	O=Cc1ccccc1O	C90028
MACCS_95	Oc1cccc2ccccc12	C90153
MACCS_95	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_95	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_95	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_95	ON=C1CCCCC1	C100641
MACCS_95	c1ccccc1Oc1ccccc1	C101848
MACCS_95	OCCN1CCNCC1	C103764
MACCS_95	Nc1ccc(CCCC)cc1	C104132
MACCS_95	Oc1ccc(Cl)cc1	C106489
MACCS_95	C1CCCCC1O	C108930
MACCS_95	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_95	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_95	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_95	Oc1ccc(CC)cc1	C123079
MACCS_95	NCCN1CCNCC1	C140318
MACCS_95	COc1ccc(OC)cc1	C150787
MACCS_95	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_95	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_95	Oc1ccc(CCC)cc1	C645567
MACCS_95	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_95	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_95	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_95	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
MACCS_95	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_95	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_95	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_95	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_95	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_95	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_95	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_95	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_95	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_95	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_95	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_95	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_95	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_95	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_95	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_95	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_95	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_95	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_95	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_95	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_95	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_95	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_95	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_95	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_95	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_95	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_95	c1(c(CC)cccc1)O	C90006
MACCS_95	c1c(O)cccc1CC	C620177
MACCS_95	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_95	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_95	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_95	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_95	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_95	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_95	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_95	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_95	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_95	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_95	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_95	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_95	c1cccc(OC)c1O	C90051
MACCS_95	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_95	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_95	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_95	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_95	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_95	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_95	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_95	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_95	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_95	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_95	c12cc3ccc4ccccc4c3cc1cccc2	C56553
MACCS_95	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_95	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_95	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_95	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_95	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_95	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_95	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_95	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_95	Cc1cc(O)ccc1	C108394
MACCS_95	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_95	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_95	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_95	c1ccc2ncsc2c1	C95169
MACCS_95	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_95	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_95	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_95	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_95	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_95	O=C/C=C/c1ccccc1	C14371109
MACCS_95	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_95	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_95	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_95	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_95	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_95	Oc1cc(Cl)ccc1Cl	C583788
MACCS_95	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_95	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_95	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_95	N(C)(C)c1cccc(O)c1	C99070
MACCS_95	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_95	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_95	Cc1c(C)cccc1O	C526750
MACCS_95	Cc1cc(C)cc(O)c1	C108689
MACCS_95	C=Cc1ccccc1C=C	C1321740
MACCS_95	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_95	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_95	O=C(OCC)c1c(N)cccc1	C87252
MACCS_95	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_95	CC=C1CC2C=CC1C2	C16219753
MACCS_95	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_95	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_95	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_95	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_95	O=C(C)C=Cc1ccccc1	C122576
MACCS_95	C1COCCN1	C110918
MACCS_95	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_95	c12ncccc1ccc1c2nccc1	C66717
MACCS_95	O(c1ccc(N)cc1)CC	C156434
MACCS_95	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_95	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_95	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_95	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_95	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_95	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_95	c12ccccc1CCCC2	C119642
MACCS_95	Cc1cccc2nn[nH]c12	C29385431
MACCS_95	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_95	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_95	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_95	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
MACCS_95	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_95	Cc1cccc(C)c1	C108383
MACCS_95	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_95	OCCc1ccccc1	C60128
MACCS_95	O=C(O)c1ccccc1O	C69727
MACCS_95	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_95	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_95	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_95	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_95	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_95	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_95	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_95	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_95	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_95	O=C(O)c1ccc(O)cc1	C99967
MACCS_95	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_95	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_95	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_95	Sc1ccccc1	C108985
MACCS_95	O=Cc1ccc(OC)cc1	C123115
MACCS_95	Oc1ccc2ccccc2c1	C135193
MACCS_95	[O-]c1ccccc1.[Na+]	C139026
MACCS_95	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_95	Brc1ccc(F)cc1	C460004
MACCS_95	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_95	CC1=CCC(=C(C)C)CC1	C586629
MACCS_95	ClP(c1ccccc1)Cl	C644973
MACCS_95	OC(C)COc1ccccc1	C770354
MACCS_95	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
MACCS_95	Nc1cccc(C)c1C	C1300738
MACCS_95	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_95	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_95	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_95	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_95	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_95	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_95	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_95	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_95	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_95	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_95	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_95	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_95	Nc1c(C)cccc1CC	C24549062
MACCS_95	Clc1cccc(C)c1	C25168052
MACCS_95	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_95	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_95	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_95	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_95	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_95	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_95	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_95	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_95	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_95	Cc1cc(C)c(C)cc1C	C95932
MACCS_95	O=C(c1ccc(O)cc1)C	C99934
MACCS_95	CN1CCOCC1	C109024
MACCS_95	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_95	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_95	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_95	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_95	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_95	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_95	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_95	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_95	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_95	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_95	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_95	CC(=C)C1CC=C(C)CC1	C138863
MACCS_95	OC1CC(CCC1C(C)C)C	C1490046
MACCS_95	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_95	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_95	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_95	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_95	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_95	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_95	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_95	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_95	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_95	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_95	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_95	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_95	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_95	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_95	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_95	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_95	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_95	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_95	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_95	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_95	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_95	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_95	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_95	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_95	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_95	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_95	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_95	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_95	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_95	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_95	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_95	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_95	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_95	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_95	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_95	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_95	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_95	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_95	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_95	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_95	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_95	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_95	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_95	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_95	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_95	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_95	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_95	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_95	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_95	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_95	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_95	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_95	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_95	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_95	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_95	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_95	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_95	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_95	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_95	Cc1ccc(C)c2c1cccc2	C571584
MACCS_95	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_95	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_95	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_95	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_95	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_95	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_95	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_95	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_95	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_95	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_95	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_95	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_95	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_95	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_95	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_95	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_95	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_95	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_95	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_95	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_95	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_95	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_95	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_95	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_95	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_95	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_95	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_95	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_95	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_95	O=C(c1ccccc1O)C	C118934
MACCS_95	O=C(CBr)OCc1ccccc1	C5437456
MACCS_95	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_95	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_95	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_95	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_95	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_95	Nc1ccc(CCCCC)cc1	C33228443
MACCS_95	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_95	O=C(OCC)c1c(C)cccc1	C87241
MACCS_95	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_95	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_95	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_95	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_95	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_95	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_95	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_95	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_95	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_95	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_95	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_95	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_95	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_95	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_95	CC(C)C1=CCC(=CC1)C	C99854
MACCS_95	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_95	CC1=CC=C(C(C)C)CC1	C99865
MACCS_95	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_95	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_95	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_95	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_95	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_95	Oc1ccccc1CN(C)C	C120650
MACCS_95	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_95	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_95	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_95	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_95	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_95	O=C(Nc1ccccc1)CCl	C587655
MACCS_95	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_95	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_95	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_95	O1C=CCCC1	C110872
MACCS_95	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_95	OCC=Cc1ccccc1	C104541
MACCS_95	CCC(c1ccccc1)CCC	C4468422
MACCS_95	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_95	O=c1ccoc(CC)c1O	C4940118
MACCS_95	NCCCN1CCOCC1	C123002
MACCS_95	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_95	O=C(C)OC(C)c1ccccc1	C93925
MACCS_95	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_95	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_95	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_95	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_95	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_95	N#Cc1c(O)cccc1	C611201
MACCS_95	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_95	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_95	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_95	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_95	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_95	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_95	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_95	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_95	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_95	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_95	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_95	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_95	OC1CC(C)(C)CC(C)C1	C116029
MACCS_95	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_95	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_95	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_95	c1(Cc2ccccc2)ccccc1	C101815
MACCS_95	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_95	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_95	c12ccccc1CC=C2	C95136
MACCS_95	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_95	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_95	Oc1cc(C(C)C)ccc1C	C499752
MACCS_95	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_95	c1([Hg]c2ccccc2)ccccc1	C587859
MACCS_95	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_95	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_95	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_95	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_95	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_95	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_95	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_95	Oc1c(OCC)cccc1	C94713
MACCS_95	Oc1ccc(C(C)C)cc1	C99898
MACCS_95	COc1ccc(CCC)cc1	C104450
MACCS_95	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_95	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_95	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_95	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_95	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_95	OC(CO)c1ccccc1	C93561
MACCS_95	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_95	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_95	O=C(N)Nc1ccccc1	C64108
MACCS_95	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_95	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_95	Oc1c(C(C)C)cccc1	C88697
MACCS_95	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_95	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_95	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_95	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_95	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_95	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_95	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_95	Oc1cc(C(C)C)ccc1	C618451
MACCS_95	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_95	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_95	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_95	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_95	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_95	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_95	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_95	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_95	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_95	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_95	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_95	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_95	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_95	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_95	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_95	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_95	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_95	Oc1ccc(CCCC)cc1	C1638228
MACCS_95	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_95	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_95	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_95	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_95	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_95	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_95	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_95	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_95	c12ccccc1c1c(cccc1)s2	C132650
MACCS_95	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_95	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_95	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_95	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_95	Nc1ccc(CCC)cc1	C2696846
MACCS_95	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_95	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_95	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_95	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_95	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_95	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_95	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_95	Sc1ccc(C)cc1	C106456
MACCS_95	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_95	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_95	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_95	Clc1ccc(CCCC)cc1	C15499271
MACCS_95	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_95	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_95	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_95	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_95	O=C1CCC(CCC)CC1	C40649363
MACCS_95	Nc1ccc(cc1)OCCCC	C4344552
MACCS_95	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_95	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_95	O=C(c1ccccc1)C(C)C	C611701
MACCS_95	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_95	OC1CCC(CCCC)CC1	C70568604
MACCS_95	Clc1ccc(CCCCC)cc1	C79098207
MACCS_95	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_95	O=C(OC)c1c(C)cccc1	C89714
MACCS_95	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_95	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_95	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_95	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_95	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_95	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_95	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_95	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_95	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_95	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_95	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_95	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_95	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_95	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_95	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_95	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_95	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_95	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_95	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_95	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_95	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_95	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_95	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_95	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_95	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_95	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_95	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_95	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_95	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_95	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_95	Oc1c(cccc1)c1ccccc1	C90437
MACCS_95	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_95	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_95	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_95	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_95	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_95	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_95	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_95	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_95	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_95	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_95	c1ccccc1Nc1ccccc1	C122394
MACCS_95	c1ccccc1OCCO	C122996
MACCS_95	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_95	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_95	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_95	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_95	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_95	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_95	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_95	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_95	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_95	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_95	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_95	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_95	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_95	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_95	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_95	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_95	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_95	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_95	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_95	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_95	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_95	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_95	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_95	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_95	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_95	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_95	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_95	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_95	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_95	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_95	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_95	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_95	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_95	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_95	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_95	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_95	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_95	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_95	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_95	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_95	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_95	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_95	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_95	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_95	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_95	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_95	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_95	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_95	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_95	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_95	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_95	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_95	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_95	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_95	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_95	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_95	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_95	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_95	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_95	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_95	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_95	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_95	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_95	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_95	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_95	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_95	CN1CN(C)CSC1=S	C533744
MACCS_95	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_95	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_95	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_95	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_95	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_95	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_95	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_95	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_95	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_95	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_95	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_95	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_95	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_95	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_95	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_95	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_95	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_95	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_95	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_95	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_95	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_95	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_95	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_95	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_95	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_95	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_95	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_95	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_95	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_95	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_95	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_95	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_95	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_95	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_95	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_95	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_95	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_95	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_95	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_95	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_95	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_95	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_95	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_95	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_95	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_95	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_95	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_95	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_95	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_95	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_95	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_95	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_95	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_95	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_95	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_95	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_95	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_95	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_95	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_95	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_95	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_95	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_95	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_95	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_95	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_95	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_95	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_95	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_95	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_95	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_95	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_95	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_95	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_95	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_95	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_95	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_95	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_95	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_95	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_95	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_95	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_95	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_95	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_95	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_95	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_95	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_95	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_95	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_95	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_95	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_95	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_95	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_95	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_95	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_95	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_95	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_95	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_95	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_95	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_95	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_95	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_95	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_95	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_95	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_95	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_95	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_95	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_95	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_95	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_95	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_95	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_95	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_95	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_95	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_95	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_95	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_95	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_95	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_95	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_95	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_95	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_95	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_95	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_95	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_95	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_95	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_95	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_95	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_95	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_95	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_95	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_95	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_95	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_95	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_95	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_95	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_95	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_95	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_95	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_95	c1coc2c1cccc2	C271896
MACCS_95	OC(=O)c1ccccc1	C65850
MACCS_95	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_95	OCc1ccccc1	C100516
MACCS_95	c1c(cccc1)c1ccccc1	C92524
MACCS_95	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_95	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_95	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_95	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_95	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_95	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_95	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_95	Oc1c(cccc1)O	C120809
MACCS_95	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_95	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_95	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_95	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_95	Nc1c(ccc(c1)Cl)N	C95830
MACCS_95	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_95	O=C(c1ccccc1)CCl	C532274
MACCS_95	Nc1ccc(cc1)Cl	C106478
MACCS_95	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_95	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_95	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_95	O=c1oc2c(cccc2)cc1	C91645
MACCS_95	Nc1cc(ccc1OC)C	C120718
MACCS_95	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_95	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
MACCS_95	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_95	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_95	Nc1c(ccc(c1)N)C	C95807
MACCS_95	Clc1c(cccc1)Cl	C95501
MACCS_95	Clc1ccc(cc1)Cl	C106467
MACCS_95	Clc1c(ccc(c1)Cl)O	C120832
MACCS_95	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_95	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_95	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_95	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_95	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_95	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_95	CN(c1ccccc1)C	C121697
MACCS_95	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
MACCS_95	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_95	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_95	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_95	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_95	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_95	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_95	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_95	O1C2C1CCC(C2)C1CO1	C106876
MACCS_95	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_95	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_95	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_95	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_95	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_95	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_95	C1N2CN3CN(C2)CN1C3	C100970
MACCS_95	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_95	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_95	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_95	Oc1ccc(cc1)O	C123319
MACCS_95	Oc1cccc2cccnc12	C148243
MACCS_95	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_95	O=C(c1ccncc1)NN	C54853
MACCS_95	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_95	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_95	Sc1nc2c(cccc2)s1	C149304
MACCS_95	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_95	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_95	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_95	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_95	Cc1c2c(ccc1)cccc2	C90120
MACCS_95	Cc1cc2cccnc2cc1	C91623
MACCS_95	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_95	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_95	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_95	c1c2c(ccc1)cccc2	C91203
MACCS_95	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_95	Nc1cc2c(cccc2)cc1	C91598
MACCS_95	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_95	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_95	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_95	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_95	O=[N+](c1ccccc1)[O-]	C98953
MACCS_95	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_95	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_95	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_95	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_95	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_95	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_95	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_95	Oc1ccccc1	C108952
MACCS_95	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_95	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_95	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_95	Nc1cc(ccc1)N	C108452
MACCS_95	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_95	C1CNCCN1	C110850
MACCS_95	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_95	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_95	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_95	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_95	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_95	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_95	Oc1cc(ccc1)O	C108463
MACCS_95	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_95	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_95	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_95	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_95	C1C(c2ccccc2)O1	C96093
MACCS_95	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_95	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_95	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_95	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_95	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_95	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_95	Cc1c(ccc(c1)C)C	C95636
MACCS_95	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_95	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_95	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_95	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_95	Oc1ccccc1Cl	C95578
MACCS_95	Oc1cc(C)c(Cl)cc1	C59507
MACCS_95	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_95	c1ccc2cccc3c2c1CC3	C83329
MACCS_95	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_95	n1cccc2c1cccc2	C91225
MACCS_95	CCN(CC)c1ccccc1	C91667
MACCS_95	Oc1c(C)cccc1	C95487
MACCS_95	c1ccccc1C(=O)C	C98862
MACCS_95	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_95	CN(C)c1ccc(C)cc1	C99978
MACCS_95	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_95	CCNc1cc(C)ccc1	C102272
MACCS_95	Oc1c(C)cc(C)cc1	C105679
MACCS_95	Oc1ccc(C)cc1	C106445
MACCS_95	Nc1ccc(C)cc1	C106490
MACCS_95	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_95	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_95	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_95	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_95	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_95	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_95	c1cccc2c3ccccc3oc12	C132649
MACCS_95	Oc1c(C)cc(C)cc1C	C527606
MACCS_95	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_95	Clc1cc(Cl)ccc1	C541731
MACCS_95	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_95	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_95	Oc1c(C)c(C)ccc1C	C2416946
MACCS_95	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_95	c1(c(O)cccc1)C(CC)C	C89725
MACCS_95	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_95	Oc1ccc(C=CC)cc1OC	C97541
MACCS_95	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_95	c1(CCCC)ccccc1	C104518
MACCS_95	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_95	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_95	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_95	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_95	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_95	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_95	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_95	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_95	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_95	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_95	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_95	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_95	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_95	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_95	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_95	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_95	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_95	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_95	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_95	O=N(=O)c1ccc(C)cc1	C99990
MACCS_95	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_95	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_95	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_95	c1cc2cccc3C=Cc(c1)c23	C208968
MACCS_95	Nc1c(OC)cccc1	C90040
MACCS_95	c1ccc2cc3ccccc3cc2c1	C120127
MACCS_95	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
MACCS_95	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_95	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_95	Cc1ccccc1Cl	C95498
MACCS_95	NC1CCCCC1	C108918
MACCS_95	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_95	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_95	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_95	Oc1cc(C)c(C)cc1	C95658
MACCS_95	Oc1c(cccc1C)C	C576261
MACCS_95	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_95	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_95	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_95	c1cccc2c1c1cccc3cccc2c13	C206440
MACCS_95	c1cccc2Cc3ccccc3c12	C86737
MACCS_95	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_95	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_95	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_95	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_95	c1cc2c(cc1)c1c(cccc1)cc2	C85018
MACCS_95	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_95	c12cccc3c1c1c(cccc1cc3)cc2	C129000
MACCS_95	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_95	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_95	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_95	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_95	O=C(O)c1ccc(N)cc1	C150130
MACCS_95	Oc1c(ccc(N)c1)C	C2835952
MACCS_95	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_95	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_95	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_95	Cc1ccc(Cl)cc1	C106434
MACCS_95	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_95	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_95	O(O)C(c1ccccc1)(C)C	C80159
MACCS_95	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_95	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_95	Nc1cc(C)ccc1N	C496720
MACCS_95	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_95	c1(ccccc1)C(Cl)Cl	C98873
MACCS_95	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_95	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_95	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_95	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_95	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_95	Oc1c(ccc(C)c1)C	C95874
MACCS_95	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_95	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_95	N(c1ccccc1)CC	C103695
MACCS_95	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_95	o1c(C)c(O)c(=O)cc1	C118718
MACCS_95	O=C(OC)c1c(N)cccc1	C134203
MACCS_95	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_95	O=C(OC)c1c(O)cccc1	C119368
MACCS_95	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_95	Nc1c(N)cccc1	C95545
MACCS_95	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_95	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_95	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_95	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_95	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_95	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_95	Nc1c(cccc1)C	C95534
MACCS_95	Clc1c(Cl)cccc1Cl	C87616
MACCS_95	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_95	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_95	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_95	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_95	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_95	Nc1c(cccc1C)C	C87627
MACCS_95	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_95	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_95	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_95	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_95	CC(C)c1ccc(C)cc1	C99876
MACCS_95	N#Cc1cnccc1	C100549
MACCS_95	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_95	Nc1cccc(C)c1	C108441
MACCS_95	Cc1cc(C)cc(C)c1	C108678
MACCS_95	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_95	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_95	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_95	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_95	c1(c2ccncc2)ccncc1	C553264
MACCS_95	Nc1c(CC)cccc1CC	C579668
MACCS_95	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_95	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_95	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_95	Nc1cccc(C)c1N	C2687254
MACCS_95	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_95	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_95	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_95	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_95	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_95	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_95	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_95	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_95	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_95	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_95	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_95	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_95	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_95	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_95	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_95	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_95	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_95	O=Cc1ccccc1C=O	C643798
MACCS_95	O=c1[nH]sc2c1cccc2	C2634335
MACCS_95	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_95	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_95	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_95	Oc1cc(C)ccc1C(C)C	C89838
MACCS_95	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_95	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_95	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_95	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_95	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_95	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_95	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_95	O=C(OCCCC)c1ccccc1	C136607
MACCS_95	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_95	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_95	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_95	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_95	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_95	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_95	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_95	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_95	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_95	CCCc1ccccc1	C103651
MACCS_95	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_95	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_95	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_95	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_95	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_95	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_95	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_95	CC(C)(C)c1ccccc1	C98066
MACCS_95	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_95	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_95	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_95	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_95	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_95	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_95	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_95	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_95	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_95	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_95	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_95	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_95	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_95	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_95	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_95	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_95	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_95	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_95	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_95	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_95	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_95	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_95	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_95	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_95	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_95	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_95	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_95	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_95	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_95	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_95	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_95	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_95	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_95	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_95	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_95	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_95	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_95	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_95	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_95	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_95	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_95	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_95	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_95	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_95	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_95	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_95	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_95	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_95	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_95	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_95	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_95	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_95	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_95	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_95	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_95	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_95	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_95	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_95	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_95	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_95	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_95	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_95	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_95	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_95	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_95	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_95	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_95	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_95	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_95	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_95	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_95	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_95	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_95	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_95	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_95	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_95	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_95	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_95	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_95	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_95	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_95	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_95	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_95	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_95	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_95	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_95	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_95	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_95	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_95	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_95	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_95	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_95	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_95	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_95	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_95	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_95	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_95	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_95	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_95	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_95	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_95	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_95	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_95	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_95	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_95	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_95	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_95	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_95	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_95	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_95	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_95	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_95	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_95	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_95	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_95	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_95	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_95	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_95	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_95	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_95	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_95	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_95	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_95	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_95	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_95	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_95	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_95	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_95	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_95	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_95	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_95	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_95	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_95	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_95	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_95	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_95	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_95	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_95	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_95	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_95	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_95	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_95	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_95	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_95	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_95	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_95	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_95	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_95	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_95	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_95	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_95	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_95	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_95	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_95	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_95	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_95	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_95	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_95	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_95	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_95	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_95	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_95	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_95	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_95	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_95	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_95	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_95	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_95	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_95	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_95	O=C(OCC)c1ccccc1	C93890
MACCS_95	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_95	NCc1cccc(CN)c1	C1477550
MACCS_95	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_95	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_95	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_95	n1cc(C)ccc1	C108996
MACCS_95	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_95	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_95	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_95	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_95	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_95	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_95	Clc1ccc(N)cc1.Cl	C20265967
MACCS_95	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_95	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_95	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_95	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_95	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_95	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_95	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_95	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_95	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_95	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_95	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_95	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_95	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_95	NNc1ccccc1.Cl	C59881
MACCS_95	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_95	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_95	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_95	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_95	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_95	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_95	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_95	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_95	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_95	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_95	N#Cc1ccccc1	C100470
MACCS_95	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_95	CC(c1ccc(CO)cc1)C	C536607
MACCS_95	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_95	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_95	CN(C)c1ccc(C=O)cc1	C100107
MACCS_95	Nc1ccc(Br)cc1	C106401
MACCS_95	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_95	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_95	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_95	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_95	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_95	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_95	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_95	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_95	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_95	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_95	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_95	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_95	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_95	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_95	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_95	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_95	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_95	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_95	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_95	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_95	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_95	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_95	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_95	Nc1ccc(OC)cc1	C104949
MACCS_95	c12ccccc1ccc1c2cccn1	C85029
MACCS_95	Brc1ccccc1c1ccccc1	C2052075
MACCS_95	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_95	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_95	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_95	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_95	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_95	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_95	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_95	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_95	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_95	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_95	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_95	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_95	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_95	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_95	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_95	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_95	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_95	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_95	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_95	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_95	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_95	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_95	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_95	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_95	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_95	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_95	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_95	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_95	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_95	OCc1c[nH]c2c1cccc2	C700061
MACCS_95	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_95	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_95	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_95	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_95	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_95	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_95	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_95	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_95	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_95	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_95	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_95	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_95	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_95	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_95	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_95	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_95	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_95	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_95	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_95	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_95	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_95	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_95	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_95	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_95	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_95	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_95	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_95	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_95	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_95	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_95	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_95	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_95	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_95	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_95	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_95	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_95	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_95	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_95	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_95	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_95	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_95	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_95	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_95	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_95	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_95	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_95	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_95	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_95	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_95	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_95	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_95	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_95	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_95	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_95	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_95	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_95	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_95	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_95	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_95	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_95	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_95	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_95	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_95	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_95	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_95	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_95	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_95	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_95	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_95	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_95	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_95	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_95	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_95	Cl[Hg]c1ccccc1	C100561
MACCS_95	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_95	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_95	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_95	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_95	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_95	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_95	O=[As]c1ccccc1	C637036
MACCS_95	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_95	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_95	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_95	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_95	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_95	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_95	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_95	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_95	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_95	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_95	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_95	O=CN1CCCCC1	C2591868
MACCS_95	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_95	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_95	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_95	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_95	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_95	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_95	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_95	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_95	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_95	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_95	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_95	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_95	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_95	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_95	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_95	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_95	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_95	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_95	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_95	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_95	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_95	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_95	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_95	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_95	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_95	Nc1cccc(C)n1	C1824813
MACCS_95	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_95	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_95	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_95	CC1COc2ccccc2N1	C32329207
MACCS_95	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_95	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_95	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_95	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_95	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_95	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_95	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_95	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_95	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_95	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_95	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_95	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_95	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_95	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_95	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_95	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_95	COC(OC)C(C)c1ccccc1	C90879
MACCS_95	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_95	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_95	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_95	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_95	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_95	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_95	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_95	NNC(=O)OCc1ccccc1	C5331431
MACCS_95	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_95	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_95	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_95	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_95	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_95	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_95	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_95	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_95	O=COCc1ccc(OC)cc1	C122918
MACCS_95	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_95	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_96	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_96	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_96	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_96	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_96	NC(=O)c1cccnc1	C98920
MACCS_96	OC(=O)c1cccnc1	C59676
MACCS_96	CN(C(=O)N)N=O	C684935
MACCS_96	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_96	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_96	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_96	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_96	c1(O)ccccc1C(=O)N	C65452
MACCS_96	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_96	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_96	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_96	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_96	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_96	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_96	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_96	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_96	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_96	N(C)(C)c1cccc(O)c1	C99070
MACCS_96	OCNC(=O)NCO	C140954
MACCS_96	O=C(OCC)c1c(N)cccc1	C87252
MACCS_96	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_96	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_96	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_96	O=C(N(C)C)CC(=O)C	C2044646
MACCS_96	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_96	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_96	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_96	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_96	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_96	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_96	O=C1NC2NC(=O)NC2N1	C496468
MACCS_96	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_96	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_96	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_96	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_96	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_96	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_96	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_96	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_96	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_96	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_96	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_96	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_96	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_96	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_96	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_96	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_96	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_96	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_96	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_96	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_96	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_96	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_96	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_96	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_96	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_96	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_96	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_96	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_96	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_96	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_96	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_96	Oc1ccccc1CN(C)C	C120650
MACCS_96	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_96	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_96	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_96	N#Cc1c(O)cccc1	C611201
MACCS_96	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_96	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_96	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_96	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_96	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_96	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_96	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_96	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_96	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_96	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_96	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_96	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_96	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_96	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_96	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_96	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_96	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_96	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_96	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_96	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_96	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_96	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_96	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_96	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_96	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_96	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_96	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_96	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_96	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_96	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_96	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_96	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_96	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_96	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_96	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_96	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_96	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_96	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_96	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_96	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_96	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_96	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_96	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_96	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_96	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_96	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_96	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_96	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_96	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_96	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_96	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_96	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_96	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_96	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_96	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_96	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_96	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_96	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_96	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_96	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_96	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_96	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_96	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_96	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_96	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_96	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_96	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_96	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_96	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_96	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_96	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_96	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_96	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_96	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_96	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_96	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_96	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_96	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_96	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_96	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_96	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_96	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_96	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_96	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_96	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_96	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_96	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_96	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_96	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_96	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_96	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_96	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_96	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_96	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_96	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_96	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_96	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_96	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_96	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_96	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_96	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_96	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_96	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_96	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_96	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_96	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_96	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_96	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_96	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_96	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_96	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_96	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_96	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_96	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_96	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_96	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_96	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_96	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_96	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_96	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_96	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_96	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_96	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_96	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_96	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_96	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_96	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_96	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_96	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_96	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_96	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_96	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_96	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_96	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_96	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_96	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_96	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_96	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_96	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_96	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_96	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_96	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_96	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_96	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_96	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_96	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_96	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_96	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_96	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_96	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_96	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_96	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_96	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_96	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_96	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_96	CC1(C)NC(=O)NC1=O	C77714
MACCS_96	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_96	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_96	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_96	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_96	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_96	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_96	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_96	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_96	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_96	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_96	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_96	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_96	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_96	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_96	Oc1c(ccc(N)c1)C	C2835952
MACCS_96	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_96	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_96	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_96	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_96	O=C(OC)c1c(N)cccc1	C134203
MACCS_96	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_96	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_96	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_96	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_96	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_96	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_96	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_96	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_96	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_96	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_96	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_96	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_96	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_96	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_96	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_96	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_96	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_96	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_96	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_96	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_96	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_96	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_96	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_96	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_96	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_96	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_96	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_96	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_96	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_96	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_96	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_96	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_96	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_96	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_96	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_96	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_96	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_96	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_96	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_96	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_96	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_96	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_96	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_96	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_96	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_96	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_96	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_96	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_96	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_96	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_96	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_96	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_96	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_96	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_96	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_96	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_96	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_96	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_96	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_96	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_96	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_96	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_96	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_96	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_96	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_96	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_96	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_96	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_96	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_96	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_96	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_96	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_96	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_96	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_96	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_96	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_96	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_96	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_96	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_96	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_96	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_96	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_96	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_96	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_96	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_96	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_96	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_96	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_96	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_96	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_96	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_96	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_96	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_96	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_96	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_96	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_96	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_96	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_96	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_96	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_96	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_96	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_96	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_96	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_96	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_96	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_96	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_96	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_96	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_96	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_96	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_96	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_96	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_96	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_96	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_96	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_96	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_96	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_96	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_96	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_96	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_96	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_96	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_96	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_96	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_96	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_96	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_96	OCc1c[nH]c2c1cccc2	C700061
MACCS_96	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_96	O=c1cc(C)o[nH]1	C10004441
MACCS_96	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_96	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_96	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_96	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_96	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_96	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_96	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_96	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_96	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_96	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_96	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_96	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_96	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_96	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_96	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_96	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_96	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_96	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_96	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_96	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_96	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_96	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_96	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_96	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_96	NCCCOCCCCCCCC	C15930662
MACCS_96	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_96	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_96	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_96	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_96	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_96	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_96	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_96	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_97	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_97	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_97	N1CCCCCC1	C111499
MACCS_97	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_97	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_97	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_97	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_97	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_97	O=C(SCC)N1CCCCCC1	C2212671
MACCS_97	O=C1CCCCCN1	C105602
MACCS_97	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_97	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_97	O1C2C1CCC(C2)C1CO1	C106876
MACCS_97	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_97	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_97	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_97	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_97	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_97	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_97	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_97	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_97	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_97	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_97	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_97	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_97	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_97	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_97	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_97	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_97	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_97	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_97	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_98	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_98	C=CC#N	C107131
MACCS_98	C=CCO	C107186
MACCS_98	C=CCN=C=S	C57067
MACCS_98	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_98	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_98	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_98	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_98	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_98	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_98	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_98	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_98	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_98	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_98	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_98	C=CCc1ccc(cc1)OC	C140670
MACCS_98	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_98	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_98	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_98	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
MACCS_98	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_98	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_98	C=Cc1ccc(cc1)C	C622979
MACCS_98	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_98	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_98	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_98	O=C(O)/C=C\C(=O)O	C110167
MACCS_98	OC(=O)/C=C/C(=O)O	C110178
MACCS_98	C=CC(Cl)CCl	C760236
MACCS_98	C=CC(=O)OCCO	C818611
MACCS_98	CC/C=C\CCO	C928961
MACCS_98	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_98	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
MACCS_98	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_98	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_98	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_98	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_98	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_98	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_98	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_98	Cl/C=C/Cl	C156605
MACCS_98	CC(=C)C#N	C126987
MACCS_98	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_98	O=C(OCCCC)C=C	C141322
MACCS_98	O=C/C=C/c1ccccc1	C14371109
MACCS_98	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_98	C=Cc1ccccc1C=C	C1321740
MACCS_98	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_98	CCC(=CCCC)C=O	C645625
MACCS_98	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_98	CC=C1CC2C=CC1C2	C16219753
MACCS_98	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_98	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_98	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_98	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_98	O=C(C)C=Cc1ccccc1	C122576
MACCS_98	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_98	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_98	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_98	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_98	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_98	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_98	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_98	C1=CC=CC1	C542927
MACCS_98	CC1=CCC(=C(C)C)CC1	C586629
MACCS_98	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_98	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_98	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_98	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_98	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_98	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_98	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_98	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_98	O=C(C=C(C)C)C	C141797
MACCS_98	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_98	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_98	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_98	CC(=C)C1CC=C(C)CC1	C138863
MACCS_98	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_98	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_98	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_98	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_98	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_98	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_98	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_98	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_98	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_98	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_98	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_98	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_98	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_98	OC(CCCCC)C=C	C3391864
MACCS_98	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_98	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_98	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_98	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_98	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_98	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_98	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_98	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_98	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_98	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_98	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_98	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_98	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_98	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_98	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_98	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_98	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_98	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_98	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_98	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_98	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_98	CC(C)C1=CCC(=CC1)C	C99854
MACCS_98	CC1=CC=C(C(C)C)CC1	C99865
MACCS_98	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_98	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_98	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_98	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_98	O=C/C=C/CCC	C6728263
MACCS_98	O1C=CCCC1	C110872
MACCS_98	O=C(C)OCC/C=C\CC	C3681718
MACCS_98	OCC=Cc1ccccc1	C104541
MACCS_98	O=CCC/C=C\CCCCC	C21662099
MACCS_98	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_98	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_98	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_98	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_98	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_98	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_98	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_98	c12ccccc1CC=C2	C95136
MACCS_98	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_98	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_98	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_98	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_98	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_98	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_98	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_98	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_98	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_98	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_98	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_98	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_98	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_98	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_98	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_98	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_98	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_98	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_98	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_98	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_98	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_98	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_98	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_98	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_98	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_98	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_98	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_98	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_98	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_98	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_98	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_98	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_98	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_98	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_98	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_98	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_98	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_98	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_98	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_98	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_98	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_98	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_98	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_98	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_98	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_98	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_98	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_98	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_98	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_98	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_98	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_98	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_98	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_98	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_98	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_98	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_98	NC(=O)C=C	C79061
MACCS_98	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_98	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_98	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_98	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_98	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_98	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_98	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_98	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_98	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_98	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_98	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_98	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_98	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_98	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_98	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_98	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_98	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_98	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_98	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_98	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_98	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_98	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_98	OC(=O)C=CC=CC	C110441
MACCS_98	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_98	O=C1N(C=C)CCC1	C88120
MACCS_98	Oc1ccc(C=CC)cc1OC	C97541
MACCS_98	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_98	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_98	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_98	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_98	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_98	c1cc2cccc3C=Cc(c1)c23	C208968
MACCS_98	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_98	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_98	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_98	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_98	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_98	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_98	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_98	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_98	OCCC(C)CCC=C(C)C	C106229
MACCS_98	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_98	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_98	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_98	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_98	C1=CCCC=CCCC=CCC1	C4904614
MACCS_98	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_98	O=C(N)C(=C)C	C79390
MACCS_98	O=C(O)CCCCCCCCC=C	C112389
MACCS_98	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_98	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_98	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_98	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_98	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_98	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_98	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_98	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_98	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_98	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_98	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_98	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_98	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_98	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_98	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_98	C=CCCCCCCCCCCCC	C1120361
MACCS_98	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_98	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_98	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_98	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_98	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_98	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_98	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_98	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_98	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_98	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_98	O=CCC(C)CCC=C(C)C	C106230
MACCS_98	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_98	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_98	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_98	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_98	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_98	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_98	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_98	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_98	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_98	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_98	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_98	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_98	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_98	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_98	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_98	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_98	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_98	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_98	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_98	O=CC=CC=CCCCCC	C25152845
MACCS_98	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_98	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_98	OCC=C(C)C	C556821
MACCS_98	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_98	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_98	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_98	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_98	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_98	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_98	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_98	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_98	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_98	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_98	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_98	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_98	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_98	O=CCCCCCCCCC=C	C112458
MACCS_98	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_98	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_98	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_98	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_98	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_98	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_98	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_98	IC(=C(I)I)I	C513928
MACCS_98	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_98	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_98	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_98	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_98	O=C(OCCCCO)C=C	C2478106
MACCS_98	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_98	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_98	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_98	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_98	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_98	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_98	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_98	O=C/C=C/CCCCCCC	C3913813
MACCS_98	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_98	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_98	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_98	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_98	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_98	CC/C=C\CCOC(OCC)C	C28069741
MACCS_98	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_98	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_98	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_99	C=CCN=C=S	C57067
MACCS_99	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_99	CC(CNCC(C)O)O	C110974
MACCS_99	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_99	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_99	S=C(NCC)NCC	C105555
MACCS_99	CN(CCO)C	C108010
MACCS_99	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_99	O=[N+](CC)[O-]	C79243
MACCS_99	O=NN1CCCC1	C930552
MACCS_99	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_99	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_99	OC(C)CN	C78966
MACCS_99	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_99	OCCN1CCNCC1	C103764
MACCS_99	CCNCCO	C110736
MACCS_99	CCCCCCCCCCCCN	C124221
MACCS_99	NCCN1CCNCC1	C140318
MACCS_99	CCCCCCCCCCN	C2016571
MACCS_99	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_99	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_99	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_99	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_99	C(CCN)CCCN	C124094
MACCS_99	N(CCN)CCN	C111400
MACCS_99	N(CCCN)(C)C	C109557
MACCS_99	OCNC(=O)NCO	C140954
MACCS_99	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_99	C1COCCN1	C110918
MACCS_99	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_99	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_99	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_99	N1CCCCCC1	C111499
MACCS_99	CCCCCCCCCCCCN(C)C	C112185
MACCS_99	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_99	O=C1NCCC1	C616455
MACCS_99	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_99	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_99	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_99	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_99	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_99	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_99	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_99	CN1CCOCC1	C109024
MACCS_99	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_99	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_99	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_99	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_99	OCn1nc(C)cc1C	C85264331
MACCS_99	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_99	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_99	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_99	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_99	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_99	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_99	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_99	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_99	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_99	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_99	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_99	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_99	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_99	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_99	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_99	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_99	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_99	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_99	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_99	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_99	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_99	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_99	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_99	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_99	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_99	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_99	Oc1ccccc1CN(C)C	C120650
MACCS_99	NCCCN1CCOCC1	C123002
MACCS_99	OCCN(CC)CCO	C139877
MACCS_99	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_99	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_99	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_99	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_99	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_99	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_99	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_99	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_99	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_99	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_99	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_99	NCCN.I.I	C5700492
MACCS_99	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_99	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_99	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_99	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_99	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_99	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_99	S=C1NCCN1	C96457
MACCS_99	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_99	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_99	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_99	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_99	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_99	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_99	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_99	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_99	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_99	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_99	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_99	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_99	CCCN(CCC)C(=O)SCC	C759944
MACCS_99	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_99	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_99	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_99	O=C(SCC)N1CCCCCC1	C2212671
MACCS_99	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_99	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_99	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_99	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_99	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_99	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_99	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_99	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_99	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_99	CN1CN(C)CSC1=S	C533744
MACCS_99	O=C(NCCCC)OCC#CI	C55406536
MACCS_99	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_99	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_99	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_99	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_99	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_99	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_99	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_99	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_99	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_99	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_99	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_99	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_99	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_99	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_99	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_99	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_99	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_99	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_99	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_99	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_99	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_99	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_99	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_99	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_99	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_99	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_99	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_99	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_99	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_99	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_99	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_99	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_99	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_99	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_99	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_99	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_99	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_99	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_99	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_99	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_99	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_99	O=C1CCCCCN1	C105602
MACCS_99	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_99	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_99	C1N2CN3CN(C2)CN1C3	C100970
MACCS_99	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_99	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_99	O=C1N(CCC1)C	C872504
MACCS_99	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_99	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_99	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_99	O=NN(CCCC)CCCC	C924163
MACCS_99	CCN(CC)N=O	C55185
MACCS_99	O=NN(CCC)CCC	C621647
MACCS_99	C1CNCCN1	C110850
MACCS_99	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_99	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_99	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_99	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_99	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_99	OCCN(CCO)CCO	C102716
MACCS_99	O=C1N(C=C)CCC1	C88120
MACCS_99	CCN(CC)c1ccccc1	C91667
MACCS_99	CCN(CCO)CC	C100378
MACCS_99	CCNc1cc(C)ccc1	C102272
MACCS_99	OCCNCCO	C111422
MACCS_99	OCCN	C141435
MACCS_99	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_99	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_99	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_99	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_99	O=C=NCCCCCCN=C=O	C822060
MACCS_99	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_99	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_99	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_99	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_99	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_99	N(c1ccccc1)CC	C103695
MACCS_99	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_99	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_99	O=c1ccsn1CCCCCCCC	C26530201
MACCS_99	N(CCCC)(CCCC)CCCC	C102829
MACCS_99	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_99	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_99	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_99	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_99	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_99	CCC12N(COC1)COC2	C7747355
MACCS_99	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_99	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_99	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_99	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_99	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_99	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_99	CCCCCCCCN(C)C	C7378996
MACCS_99	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_99	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_99	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_99	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_99	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_99	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_99	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_99	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_99	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_99	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_99	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_99	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_99	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_99	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_99	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_99	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_99	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_99	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_99	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_99	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_99	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_99	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_99	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_99	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_99	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_99	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_99	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_99	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_99	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_99	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_99	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_99	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_99	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_99	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_99	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_99	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_99	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_99	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_99	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_99	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_99	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_99	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_99	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_99	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_99	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_99	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_99	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_99	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_99	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_99	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_99	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_99	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_99	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_99	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_99	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_99	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_99	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_99	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_99	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_99	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_99	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_99	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_99	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_99	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_99	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_99	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_99	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_99	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_99	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_99	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_99	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_99	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_99	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_99	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_99	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_99	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_99	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_99	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_99	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_99	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_99	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_99	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_99	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_99	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_99	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_99	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_99	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_99	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_99	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_99	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_99	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_99	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_99	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_99	NCCOCCOCCN	C929599
MACCS_99	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_99	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_99	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_99	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_99	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_99	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_99	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_99	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_99	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_99	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_99	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_99	S=C(NCCCC)NCCCC	C109466
MACCS_99	NCc1cccc(CN)c1	C1477550
MACCS_99	N(CCN(C)C)(C)C	C110189
MACCS_99	CCN(CC)CC	C121448
MACCS_99	NCCN	C107153
MACCS_99	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_99	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_99	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_99	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_99	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_99	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_99	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_99	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_99	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_99	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_99	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_99	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_99	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_99	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_99	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_99	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_99	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_99	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_99	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_99	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_99	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_99	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_99	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_99	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_99	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_99	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_99	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_99	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_99	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_99	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_99	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_99	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_99	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_99	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_99	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_99	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_99	O=CN1CCCCC1	C2591868
MACCS_99	CCCCCCCCCCCCN.Cl	C929737
MACCS_99	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_99	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_99	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_99	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_99	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_99	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_99	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_99	NCCCOCCCCCCCC	C15930662
MACCS_99	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_99	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_99	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_99	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_99	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_99	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_99	S=C=NCCCSC	C505793
MACCS_99	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_99	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_99	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_99	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_99	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_99	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_100	OC1CCCCCCCCCCC1	C1724396
MACCS_100	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_100	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_100	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_100	C1=CCCC=CCCC=CCC1	C4904614
MACCS_100	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_102	Nc1ccccc1.Cl	C142041
MACCS_102	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_102	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_102	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_102	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_102	Clc1c(ccc(c1)N)C	C95749
MACCS_102	O=CCCl	C107200
MACCS_102	ClCOC	C107302
MACCS_102	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_102	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_102	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_102	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_102	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_102	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_102	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_102	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_102	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_102	OC(CO)CCl	C96242
MACCS_102	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
MACCS_102	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_102	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_102	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_102	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_102	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_102	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_102	Nc1ccccc1C.Cl	C636215
MACCS_102	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_102	ClCC(Cl)CCl	C96184
MACCS_102	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_102	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_102	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_102	Oc1ccc(Cl)cc1	C106489
MACCS_102	C=CC(Cl)CCl	C760236
MACCS_102	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_102	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_102	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_102	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_102	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_102	Cl/C=C/Cl	C156605
MACCS_102	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_102	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_102	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_102	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_102	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_102	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_102	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_102	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_102	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_102	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_102	Oc1cc(Cl)ccc1Cl	C583788
MACCS_102	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_102	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_102	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_102	ClCCOP(OCCCl)OCCCl	C140089
MACCS_102	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_102	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_102	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_102	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_102	ClP(c1ccccc1)Cl	C644973
MACCS_102	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_102	Cl[Sn](C)(C)Cl	C753731
MACCS_102	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_102	O=C(CCl)[O-].[Na+]	C3926623
MACCS_102	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_102	Clc1cccc(C)c1	C25168052
MACCS_102	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_102	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_102	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_102	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_102	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_102	ClC(Cl)(C)C	C594207
MACCS_102	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_102	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_102	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_102	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_102	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_102	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_102	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_102	Clc1c(Cl)ssc1=O	C1192525
MACCS_102	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_102	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_102	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_102	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_102	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_102	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_102	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_102	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_102	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_102	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_102	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_102	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_102	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_102	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_102	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_102	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_102	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_102	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_102	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_102	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_102	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_102	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_102	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_102	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_102	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_102	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_102	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_102	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_102	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_102	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_102	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_102	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_102	O=C(Nc1ccccc1)CCl	C587655
MACCS_102	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_102	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_102	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_102	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_102	Cl[Dy](Cl)Cl	C10025748
MACCS_102	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_102	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_102	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_102	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_102	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_102	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_102	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_102	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_102	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_102	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_102	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_102	Clc1ccc(CCCC)cc1	C15499271
MACCS_102	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_102	Clc1ccc(CCCCC)cc1	C79098207
MACCS_102	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_102	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_102	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_102	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_102	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_102	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_102	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_102	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_102	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_102	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_102	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_102	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_102	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_102	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_102	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_102	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_102	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_102	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_102	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_102	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_102	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_102	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_102	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_102	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_102	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_102	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_102	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_102	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_102	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_102	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_102	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_102	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_102	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_102	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_102	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_102	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_102	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_102	ClCCP(=O)(O)O	C16672870
MACCS_102	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_102	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_102	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_102	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_102	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_102	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_102	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_102	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_102	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_102	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_102	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_102	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_102	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_102	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_102	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_102	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_102	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_102	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_102	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_102	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_102	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_102	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_102	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_102	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_102	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_102	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_102	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_102	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_102	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_102	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_102	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_102	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_102	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_102	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_102	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_102	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_102	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_102	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_102	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_102	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_102	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_102	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_102	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_102	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_102	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_102	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_102	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_102	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_102	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_102	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_102	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_102	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_102	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_102	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_102	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_102	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_102	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_102	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_102	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_102	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_102	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_102	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_102	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_102	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_102	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_102	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_102	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_102	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_102	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_102	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_102	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_102	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_102	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_102	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_102	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_102	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_102	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_102	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_102	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_102	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_102	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_102	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_102	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_102	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_102	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_102	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_102	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_102	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_102	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_102	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_102	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_102	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_102	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_102	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_102	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_102	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_102	ClCCOCCCl	C111444
MACCS_102	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_102	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_102	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_102	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_102	Nc1c(ccc(c1)Cl)N	C95830
MACCS_102	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_102	O=C(c1ccccc1)CCl	C532274
MACCS_102	Nc1ccc(cc1)Cl	C106478
MACCS_102	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_102	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_102	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_102	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
MACCS_102	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_102	OC(=O)C(Cl)Cl	C79436
MACCS_102	Clc1c(cccc1)Cl	C95501
MACCS_102	Clc1ccc(cc1)Cl	C106467
MACCS_102	Clc1c(ccc(c1)Cl)O	C120832
MACCS_102	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_102	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_102	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_102	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_102	O=C(N(C)C)Cl	C79447
MACCS_102	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_102	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_102	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_102	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_102	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_102	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_102	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_102	[Hg+2].[Cl-].[Cl-]	C7487947
MACCS_102	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_102	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_102	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_102	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_102	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_102	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_102	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_102	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_102	Oc1ccccc1Cl	C95578
MACCS_102	CC(Cl)(Cl)C(=O)O	C75990
MACCS_102	Oc1cc(C)c(Cl)cc1	C59507
MACCS_102	ClCCO	C107073
MACCS_102	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_102	Clc1cc(Cl)ccc1	C541731
MACCS_102	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_102	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_102	Cc1ccccc1Cl	C95498
MACCS_102	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_102	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_102	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_102	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_102	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_102	Cc1ccc(Cl)cc1	C106434
MACCS_102	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_102	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_102	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_102	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_102	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_102	OC(CCl)CCl	C96231
MACCS_102	c1(ccccc1)C(Cl)Cl	C98873
MACCS_102	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_102	Clc1c(Cl)cccc1Cl	C87616
MACCS_102	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_102	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_102	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_102	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_102	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_102	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_102	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_102	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_102	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_102	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_102	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_102	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_102	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_102	O=c1n(C)sc(Cl)c1	C26172554
MACCS_102	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_102	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_102	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_102	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_102	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_102	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_102	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_102	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_102	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_102	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_102	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_102	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_102	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_102	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_102	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_102	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_102	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_102	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_102	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_102	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_102	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_102	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_102	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_102	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_102	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_102	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_102	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_102	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_102	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_102	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_102	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_102	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_102	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_102	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_102	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_102	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_102	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_102	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_102	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_102	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_102	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_102	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_102	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_102	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_102	[Na+].[O-][Cl]=O	C7758192
MACCS_102	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_102	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_102	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_102	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_102	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_102	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_102	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_102	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_102	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_102	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_102	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_102	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_102	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_102	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_102	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_102	[Cl-].[Cd+2].[Cl-]	C10108642
MACCS_102	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_102	Clc1ccc(N)cc1.Cl	C20265967
MACCS_102	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_102	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_102	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_102	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_102	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_102	NNc1ccccc1.Cl	C59881
MACCS_102	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_102	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_102	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_102	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_102	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_102	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_102	O=C(CCl)CCl	C534076
MACCS_102	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_102	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_102	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_102	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_102	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_102	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_102	ClC(=O)C(CC)CCCC	C760678
MACCS_102	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_102	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_102	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_102	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_102	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_102	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_102	Cl[In](Cl)Cl	C10025828
MACCS_102	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_102	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_102	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_102	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_102	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_102	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_102	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_102	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_102	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_102	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_102	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_102	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_102	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_102	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_102	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_102	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_102	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_102	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_102	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_102	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_102	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_102	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_102	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_102	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_102	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_102	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_102	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_102	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_102	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_102	Cl[Hg]c1ccccc1	C100561
MACCS_102	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_102	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_102	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_102	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_102	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_102	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_102	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_102	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_102	Cl[Sb](Cl)Cl	C10025919
MACCS_102	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_102	CCCCCCCCCCCCN.Cl	C929737
MACCS_102	Cl[Au](Cl)Cl	C13453071
MACCS_102	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_102	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_102	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_102	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_102	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_102	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_102	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_102	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_102	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_102	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_102	Cl[In](Cl)Cl.O.O	C143983919
MACCS_102	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_103	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_103	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_103	CC(CNCC(C)O)O	C110974
MACCS_103	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_103	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_103	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_103	CN(CCO)C	C108010
MACCS_103	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_103	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_103	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_103	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_103	OC(CO)CCl	C96242
MACCS_103	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_103	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_103	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_103	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_103	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_103	OCCOCCOCCOCCCC	C143226
MACCS_103	CCCCCCCCCCCC(=O)O	C143077
MACCS_103	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_103	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_103	OC(=O)CCCC	C109524
MACCS_103	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_103	OCCC	C71238
MACCS_103	OC(C)CN	C78966
MACCS_103	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_103	OCCN1CCNCC1	C103764
MACCS_103	CC(O)CC(C)(C)O	C107415
MACCS_103	C1CCCCC1O	C108930
MACCS_103	CCNCCO	C110736
MACCS_103	CCCCCCO	C111273
MACCS_103	CCCCCCCO	C111706
MACCS_103	CCCCCCCCCCCCN	C124221
MACCS_103	NCCN1CCNCC1	C140318
MACCS_103	CCCCCCCCCO	C143088
MACCS_103	C=CC(=O)OCCO	C818611
MACCS_103	CC/C=C\CCO	C928961
MACCS_103	CCCCCCCCCCN	C2016571
MACCS_103	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_103	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_103	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_103	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_103	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_103	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_103	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_103	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_103	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_103	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_103	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_103	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_103	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_103	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_103	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_103	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_103	C(=O)(O)CCC(=O)O	C110156
MACCS_103	NC(CO)(CO)CO	C77861
MACCS_103	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_103	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_103	CC(O)COC	C107982
MACCS_103	OCCCCO	C110634
MACCS_103	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_103	C(C(=O)C)C(C)(C)O	C123422
MACCS_103	C(CCN)CCCN	C124094
MACCS_103	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_103	N(CCN)CCN	C111400
MACCS_103	N(CCCN)(C)C	C109557
MACCS_103	C(CCCCCC)CCCCCS	C112550
MACCS_103	OCC(C(O)CCC)CC	C94962
MACCS_103	C(=O)(O)CO	C79141
MACCS_103	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_103	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_103	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_103	C1COCCN1	C110918
MACCS_103	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_103	O=C(O)CS	C68111
MACCS_103	OCCc1ccccc1	C60128
MACCS_103	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_103	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_103	N1CCCCCC1	C111499
MACCS_103	OCCOCCOCCOC	C112356
MACCS_103	OCCOCCOCCOCCO	C112607
MACCS_103	OC(CCCCCC)C	C123966
MACCS_103	OCC(N)(C)C	C124685
MACCS_103	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_103	O=C1NCCC1	C616455
MACCS_103	OC(C)COc1ccccc1	C770354
MACCS_103	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_103	OCCOCCOCCOCCOCCCC	C1559348
MACCS_103	OC1CCCCCCCCCCC1	C1724396
MACCS_103	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_103	OCCOCCC	C2807309
MACCS_103	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_103	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_103	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_103	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_103	CC(CO)O	C25322694
MACCS_103	SC(C)(C)CCCCCC	C25360105
MACCS_103	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_103	OC(CCCC(C)C)(C)CC	C78693
MACCS_103	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_103	OC(C)COCCC	C1569013
MACCS_103	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_103	OC1CC(CCC1C(C)C)C	C1490046
MACCS_103	OCCC(C)CC(C)(C)C	C3452979
MACCS_103	OC(OCCCC)CC	C29387868
MACCS_103	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_103	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_103	OCCSCCCCCCCC	C3547339
MACCS_103	OC1CCCC1	C96413
MACCS_103	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_103	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_103	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_103	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_103	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_103	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_103	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_103	OC(CCCCC)C=C	C3391864
MACCS_103	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_103	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_103	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_103	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_103	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_103	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_103	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_103	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_103	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_103	CC(O)COCC	C1569024
MACCS_103	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_103	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_103	O=C(Nc1ccccc1)CCl	C587655
MACCS_103	OC(CCCC(C)C)(C)C	C13254347
MACCS_103	OC(CC(C)C)(C)C#C	C107540
MACCS_103	NCCCN1CCOCC1	C123002
MACCS_103	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_103	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_103	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_103	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_103	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_103	OC1CC(C)(C)CC(C)C1	C116029
MACCS_103	OCCOCC(CC)CCCC	C1559359
MACCS_103	OCCN(CC)CCO	C139877
MACCS_103	O=C(CF)O	C144490
MACCS_103	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_103	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_103	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_103	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_103	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_103	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_103	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_103	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_103	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_103	OC(CO)c1ccccc1	C93561
MACCS_103	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_103	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_103	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_103	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_103	NCCN.I.I	C5700492
MACCS_103	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_103	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_103	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_103	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_103	OCCOCC(C)OCCO	C9003116
MACCS_103	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_103	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_103	OC1CCC(CCCC)CC1	C70568604
MACCS_103	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_103	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_103	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_103	S=C1NCCN1	C96457
MACCS_103	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_103	c1ccccc1OCCO	C122996
MACCS_103	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_103	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_103	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_103	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_103	ClCCP(=O)(O)O	C16672870
MACCS_103	OCCOC	C109864
MACCS_103	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_103	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_103	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_103	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_103	O=C(NCCCC)OCC#CI	C55406536
MACCS_103	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_103	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_103	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_103	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_103	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_103	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_103	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_103	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_103	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_103	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_103	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_103	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_103	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_103	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_103	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_103	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_103	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_103	O=C1CCCCCN1	C105602
MACCS_103	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_103	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_103	OCCOCCO	C111466
MACCS_103	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_103	C(CO)O	C107211
MACCS_103	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_103	OCC(O)CO	C56815
MACCS_103	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_103	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_103	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_103	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_103	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_103	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_103	C1CNCCN1	C110850
MACCS_103	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_103	CC(CO)O	C57556
MACCS_103	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_103	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_103	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_103	OCCN(CCO)CCO	C102716
MACCS_103	OCCOCCOCCO	C112276
MACCS_103	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_103	OC(=O)CCC	C107926
MACCS_103	CCCCOCCOCCO	C112345
MACCS_103	CCCCCCCCCC(=O)O	C334485
MACCS_103	O=C(O)CCCCCC	C111148
MACCS_103	OC(=O)CCCCC(=O)O	C124049
MACCS_103	CCCCCC(=O)O	C142621
MACCS_103	CCCCCCCCC(=O)O	C112050
MACCS_103	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_103	CCCCCCCC(=O)O	C124072
MACCS_103	CCN(CCO)CC	C100378
MACCS_103	ClCCO	C107073
MACCS_103	OCCNCCO	C111422
MACCS_103	CCCCCCCCO	C111875
MACCS_103	CCOCCOCCO	C111900
MACCS_103	CCCCCCCCCCO	C112301
MACCS_103	CCCCCCCCCCCCCO	C112709
MACCS_103	OCCN	C141435
MACCS_103	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_103	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_103	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_103	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_103	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_103	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_103	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_103	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_103	NC1CCCCC1	C108918
MACCS_103	CCOCCO	C110805
MACCS_103	CCCCOCCO	C111762
MACCS_103	OCCOCCOCCOCC	C112505
MACCS_103	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_103	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_103	OC(CCl)CCl	C96231
MACCS_103	O(CCOC)CCO	C111773
MACCS_103	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_103	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_103	OCCC(C)CCC=C(C)C	C106229
MACCS_103	OCCC(O)C	C107880
MACCS_103	OC(CC(C)C)C	C108112
MACCS_103	OCCOCCCCCC	C112254
MACCS_103	OCCCCCCCCCCC	C112425
MACCS_103	OCCCCCCCCCCCC	C112538
MACCS_103	OCCCCCCCCCCCCCC	C112721
MACCS_103	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_103	OCCCCCCCCCCCCCCC	C629765
MACCS_103	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_103	O=C(O)C(O)CC(=O)O	C6915157
MACCS_103	OC(OC(O)CC)CC	C25265718
MACCS_103	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_103	OC(OCCCOC)CC	C34590948
MACCS_103	OCCCCCCCCCCCCCCCC	C36653824
MACCS_103	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_103	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_103	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_103	O=C(O)CCCCCCCCC=C	C112389
MACCS_103	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_103	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_103	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_103	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_103	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_103	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_103	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_103	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_103	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_103	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_103	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_103	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_103	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_103	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_103	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_103	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_103	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_103	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_103	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_103	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_103	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_103	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_103	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_103	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_103	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_103	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_103	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_103	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_103	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_103	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_103	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_103	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_103	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_103	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_103	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_103	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_103	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_103	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_103	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_103	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_103	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_103	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_103	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_103	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_103	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_103	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_103	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_103	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_103	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_103	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_103	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_103	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_103	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_103	OCCCBr	C627189
MACCS_103	C(CO)C(C)C	C123513
MACCS_103	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_103	NCCOCCOCCN	C929599
MACCS_103	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_103	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_103	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_103	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_103	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_103	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_103	OCCC(OC)C	C2517433
MACCS_103	S=C(NCCCC)NCCCC	C109466
MACCS_103	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_103	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_103	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_103	NCCN	C107153
MACCS_103	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_103	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_103	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_103	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_103	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_103	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_103	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_103	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_103	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_103	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_103	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_103	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_103	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_103	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_103	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_103	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_103	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_103	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_103	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_103	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_103	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_103	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_103	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_103	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_103	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_103	O=C(O)CCSCCC(=O)O	C111171
MACCS_103	CCCCCCCCCCCCN.Cl	C929737
MACCS_103	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_103	O=C(OC)CCCC(=O)O	C1501275
MACCS_103	O=C(OCCCCO)C=C	C2478106
MACCS_103	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_103	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_103	NCCCOCCCCCCCC	C15930662
MACCS_103	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_103	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_103	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_103	CC1COc2ccccc2N1	C32329207
MACCS_103	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_103	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_103	SC1CCCC1	C1679078
MACCS_103	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_103	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_103	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_103	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_103	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_103	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_103	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_103	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_103	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_104	[nH]1c2c(cccc2)nn1	C95147
MACCS_104	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_104	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_104	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_104	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_104	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_104	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_104	c1cccc2[nH]ccc12	C120729
MACCS_104	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_104	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_104	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_104	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_104	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_104	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_104	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_104	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_104	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_104	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_104	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_104	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_104	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_104	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_104	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_104	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_104	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_104	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_104	c1ccc2ncsc2c1	C95169
MACCS_104	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_104	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_104	c12ncccc1ccc1c2nccc1	C66717
MACCS_104	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_104	Cc1cccc2nn[nH]c12	C29385431
MACCS_104	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_104	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_104	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_104	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_104	O=C1NC2NC(=O)NC2N1	C496468
MACCS_104	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_104	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_104	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_104	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_104	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_104	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_104	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_104	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_104	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_104	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_104	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_104	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_104	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_104	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_104	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_104	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_104	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_104	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_104	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_104	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_104	c12ccccc1c1c(cccc1)s2	C132650
MACCS_104	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_104	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_104	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_104	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_104	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_104	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_104	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_104	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_104	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_104	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_104	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_104	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_104	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_104	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_104	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_104	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_104	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_104	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_104	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_104	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_104	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_104	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_104	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_104	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_104	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_104	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_104	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_104	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_104	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_104	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_104	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_104	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_104	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_104	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_104	c1coc2c1cccc2	C271896
MACCS_104	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_104	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_104	O=c1oc2c(cccc2)cc1	C91645
MACCS_104	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_104	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_104	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_104	O1C2C1CCC(C2)C1CO1	C106876
MACCS_104	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_104	Oc1cccc2cccnc12	C148243
MACCS_104	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_104	Sc1nc2c(cccc2)s1	C149304
MACCS_104	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_104	Cc1cc2cccnc2cc1	C91623
MACCS_104	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_104	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_104	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_104	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_104	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_104	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_104	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_104	n1cccc2c1cccc2	C91225
MACCS_104	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_104	c1cccc2c3ccccc3oc12	C132649
MACCS_104	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_104	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_104	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_104	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_104	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_104	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_104	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_104	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_104	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_104	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_104	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_104	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_104	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_104	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_104	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_104	CCC12N(COC1)COC2	C7747355
MACCS_104	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_104	O=c1[nH]sc2c1cccc2	C2634335
MACCS_104	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_104	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_104	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_104	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_104	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_104	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_104	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_104	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_104	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_104	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_104	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_104	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_104	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_104	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_104	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_104	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_104	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_104	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_104	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_104	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_104	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_104	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_104	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_104	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_104	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_104	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_104	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_104	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_104	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_104	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_104	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_104	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_104	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_104	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_104	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_104	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_104	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_104	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_104	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_104	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_104	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_104	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_104	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_104	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_104	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_104	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_104	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_104	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_104	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_104	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_104	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_104	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_104	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_104	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_104	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_104	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_104	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_104	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_104	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_104	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_104	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_104	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_104	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_104	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_104	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_104	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_104	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_104	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_104	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_104	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_104	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_104	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_104	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_104	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_104	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_104	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_104	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_104	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_104	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_104	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_104	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_104	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_104	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_104	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_104	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_104	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_104	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_104	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_104	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_104	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_104	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_104	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_104	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_104	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_104	c12ccccc1ccc1c2cccn1	C85029
MACCS_104	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_104	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_104	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_104	OCc1c[nH]c2c1cccc2	C700061
MACCS_104	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_104	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_104	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_104	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_104	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_104	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_104	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_104	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_104	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_104	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_104	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_104	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_104	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_104	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_104	CC1COc2ccccc2N1	C32329207
MACCS_104	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_104	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_104	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_105	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_105	c1(nc[nH]n1)N	C61825
MACCS_105	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_105	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_105	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_105	NC(=N)NC#N	C461585
MACCS_105	S=C(NCC)NCC	C105555
MACCS_105	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_105	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_105	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_105	NC(=O)OC	C598550
MACCS_105	CN(C(=O)N)N=O	C684935
MACCS_105	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_105	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_105	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_105	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_105	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_105	NC(=S)N	C62566
MACCS_105	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_105	O=P(OC)(OC)OC	C512561
MACCS_105	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_105	F[B-](F)(F)F.[Na+]	C13755298
MACCS_105	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_105	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_105	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_105	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_105	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_105	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_105	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_105	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_105	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_105	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_105	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_105	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_105	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_105	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_105	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_105	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_105	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_105	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_105	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_105	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_105	OP(=O)(O)O	C7664382
MACCS_105	O=C(N)N=NC(=O)N	C123773
MACCS_105	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_105	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_105	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_105	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_105	OCNC(=O)NCO	C140954
MACCS_105	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_105	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_105	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_105	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_105	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_105	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_105	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_105	O=P(OCC)(OCC)OCC	C78400
MACCS_105	ClCCOP(OCCCl)OCCCl	C140089
MACCS_105	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_105	O=C1OCC(C)O1	C108327
MACCS_105	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_105	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_105	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_105	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_105	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_105	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_105	O=C(N)[O-].[NH4+]	C1111780
MACCS_105	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_105	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_105	NNC(=S)NN	C2231574
MACCS_105	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_105	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_105	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_105	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_105	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_105	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_105	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_105	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_105	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_105	[S-]C(=S)NC.[Na+]	C137428
MACCS_105	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_105	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_105	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_105	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_105	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_105	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_105	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_105	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_105	O=C1NC2NC(=O)NC2N1	C496468
MACCS_105	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_105	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_105	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_105	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_105	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_105	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_105	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_105	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_105	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_105	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_105	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_105	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_105	O=S(=O)(N)O	C5329146
MACCS_105	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_105	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_105	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_105	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_105	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_105	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_105	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_105	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_105	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_105	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_105	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_105	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_105	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_105	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_105	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_105	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_105	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_105	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_105	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_105	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_105	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_105	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_105	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_105	O=C1OCC(CC)O1	C4437858
MACCS_105	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_105	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_105	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_105	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_105	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_105	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_105	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_105	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_105	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_105	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_105	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_105	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_105	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_105	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_105	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_105	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_105	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_105	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_105	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_105	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_105	OP(OCC)OCC	C762049
MACCS_105	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_105	Cl[Dy](Cl)Cl	C10025748
MACCS_105	CCOC(OCC)OCC	C122510
MACCS_105	CCO[Si](OCC)(OCC)CC	C78079
MACCS_105	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_105	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_105	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_105	S=C(NC)NC	C534134
MACCS_105	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_105	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_105	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_105	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_105	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_105	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_105	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_105	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_105	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_105	CCO[Si](OCC)(C)OCC	C2031676
MACCS_105	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_105	CO[Si](OC)(CCC)OC	C1067250
MACCS_105	O=C(N)Nc1ccccc1	C64108
MACCS_105	NNC(=S)NC	C6610293
MACCS_105	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_105	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_105	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_105	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_105	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_105	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_105	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_105	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_105	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_105	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_105	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_105	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_105	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_105	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_105	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_105	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_105	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_105	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_105	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_105	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_105	OB(O)O	C10043353
MACCS_105	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_105	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_105	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_105	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_105	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_105	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_105	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_105	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_105	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_105	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_105	S=C1NCCN1	C96457
MACCS_105	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_105	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_105	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_105	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_105	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_105	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_105	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_105	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_105	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_105	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_105	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_105	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_105	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_105	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_105	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_105	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_105	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_105	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_105	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_105	CSC(=NOC(=O)NC)C	C16752775
MACCS_105	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_105	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_105	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_105	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_105	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_105	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_105	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_105	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_105	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_105	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_105	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_105	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_105	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_105	ClCCP(=O)(O)O	C16672870
MACCS_105	CCCN(CCC)C(=O)SCC	C759944
MACCS_105	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_105	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_105	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_105	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_105	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_105	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_105	NP(=O)(OC)SC	C10265926
MACCS_105	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_105	O=C(SCC)N1CCCCCC1	C2212671
MACCS_105	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_105	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_105	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_105	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_105	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_105	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_105	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_105	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_105	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_105	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_105	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_105	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_105	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_105	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_105	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_105	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_105	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_105	CN1CN(C)CSC1=S	C533744
MACCS_105	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_105	O=C(NCCCC)OCC#CI	C55406536
MACCS_105	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_105	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_105	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_105	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_105	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_105	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_105	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_105	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_105	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_105	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_105	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_105	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_105	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_105	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_105	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_105	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_105	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_105	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_105	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_105	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_105	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_105	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_105	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_105	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_105	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_105	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_105	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_105	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_105	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_105	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_105	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_105	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_105	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_105	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_105	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_105	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_105	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_105	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_105	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_105	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_105	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_105	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_105	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_105	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_105	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_105	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_105	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_105	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_105	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_105	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_105	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_105	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_105	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_105	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_105	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_105	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_105	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_105	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_105	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_105	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_105	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_105	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_105	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_105	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_105	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_105	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_105	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_105	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_105	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_105	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_105	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_105	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_105	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_105	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_105	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_105	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_105	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_105	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_105	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_105	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_105	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_105	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_105	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_105	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_105	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_105	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_105	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_105	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_105	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_105	O=C(N(C)C)Cl	C79447
MACCS_105	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_105	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_105	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_105	Sc1nc2c(cccc2)s1	C149304
MACCS_105	[nH]1c(=S)n(cc1)C	C60560
MACCS_105	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_105	CS(=O)(=O)OC	C66273
MACCS_105	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_105	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_105	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_105	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_105	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_105	O=S1(=O)CCCO1	C1120714
MACCS_105	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_105	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_105	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_105	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_105	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_105	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_105	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_105	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_105	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_105	C(=O)(N)N	C57136
MACCS_105	NC(=O)OCC	C51796
MACCS_105	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_105	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_105	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_105	CC1(C)NC(=O)NC1=O	C77714
MACCS_105	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_105	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_105	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_105	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_105	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_105	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_105	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_105	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_105	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_105	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_105	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_105	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_105	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_105	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_105	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_105	O=S(=O)(OCC)OCC	C64675
MACCS_105	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_105	O=S(=O)(OC)OC	C77781
MACCS_105	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_105	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_105	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_105	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_105	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_105	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_105	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_105	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_105	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_105	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_105	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_105	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_105	C(=O)(N)NO	C127071
MACCS_105	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_105	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_105	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_105	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_105	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_105	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_105	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_105	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_105	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_105	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_105	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_105	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_105	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_105	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_105	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_105	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_105	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_105	S=P(OCC)(OCC)SCSCC	C298022
MACCS_105	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_105	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_105	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_105	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_105	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_105	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_105	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_105	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_105	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_105	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_105	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_105	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_105	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_105	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_105	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_105	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_105	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_105	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_105	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_105	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_105	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_105	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_105	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_105	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_105	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_105	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_105	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_105	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_105	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_105	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_105	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_105	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_105	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_105	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_105	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_105	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_105	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_105	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_105	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_105	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_105	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_105	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_105	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_105	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_105	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_105	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_105	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_105	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_105	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_105	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_105	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_105	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_105	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_105	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_105	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_105	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_105	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_105	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_105	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_105	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_105	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_105	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_105	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_105	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_105	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_105	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_105	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_105	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_105	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_105	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_105	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_105	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_105	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_105	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_105	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_105	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_105	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_105	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_105	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_105	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_105	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_105	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_105	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_105	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_105	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_105	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_105	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_105	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_105	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_105	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_105	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_105	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_105	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_105	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_105	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_105	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_105	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_105	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_105	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_105	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_105	S=C(NCCCC)NCCCC	C109466
MACCS_105	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_105	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_105	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_105	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_105	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_105	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_105	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_105	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_105	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_105	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_105	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_105	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_105	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_105	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_105	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_105	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_105	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_105	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_105	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_105	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_105	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_105	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_105	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_105	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_105	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_105	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_105	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_105	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_105	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_105	Cl[In](Cl)Cl	C10025828
MACCS_105	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_105	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_105	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_105	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_105	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_105	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_105	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_105	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_105	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_105	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_105	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_105	O=P(OCCCC)(O)OCCCC	C107664
MACCS_105	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_105	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_105	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_105	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_105	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_105	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_105	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_105	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_105	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_105	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_105	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_105	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_105	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_105	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_105	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_105	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_105	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_105	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_105	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_105	Cl[Sb](Cl)Cl	C10025919
MACCS_105	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_105	Cl[Au](Cl)Cl	C13453071
MACCS_105	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_105	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_105	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_105	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_105	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_105	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_105	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_105	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_105	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_105	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_105	NNC(=O)OCc1ccccc1	C5331431
MACCS_105	Cl[In](Cl)Cl.O.O	C143983919
MACCS_105	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_106	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_106	c1(nc[nH]n1)N	C61825
MACCS_106	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_106	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_106	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_106	NC(=N)NC#N	C461585
MACCS_106	S=C(NCC)NCC	C105555
MACCS_106	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_106	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_106	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_106	NC(=O)OC	C598550
MACCS_106	CN(C(=O)N)N=O	C684935
MACCS_106	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_106	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_106	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_106	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_106	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_106	NC(=S)N	C62566
MACCS_106	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_106	O=P(OC)(OC)OC	C512561
MACCS_106	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_106	F[B-](F)(F)F.[Na+]	C13755298
MACCS_106	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_106	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_106	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_106	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_106	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_106	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_106	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_106	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_106	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_106	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_106	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_106	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_106	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_106	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_106	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_106	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_106	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_106	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_106	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_106	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_106	OP(=O)(O)O	C7664382
MACCS_106	O=C(N)N=NC(=O)N	C123773
MACCS_106	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_106	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_106	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_106	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_106	OCNC(=O)NCO	C140954
MACCS_106	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_106	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_106	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_106	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_106	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_106	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_106	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_106	O=P(OCC)(OCC)OCC	C78400
MACCS_106	ClCCOP(OCCCl)OCCCl	C140089
MACCS_106	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_106	O=C1OCC(C)O1	C108327
MACCS_106	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_106	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_106	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_106	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_106	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_106	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_106	O=C(N)[O-].[NH4+]	C1111780
MACCS_106	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_106	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_106	NNC(=S)NN	C2231574
MACCS_106	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_106	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_106	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_106	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_106	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_106	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_106	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_106	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_106	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_106	[S-]C(=S)NC.[Na+]	C137428
MACCS_106	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_106	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_106	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_106	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_106	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_106	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_106	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_106	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_106	O=C1NC2NC(=O)NC2N1	C496468
MACCS_106	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_106	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_106	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_106	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_106	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_106	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_106	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_106	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_106	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_106	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_106	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_106	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_106	O=S(=O)(N)O	C5329146
MACCS_106	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_106	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_106	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_106	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_106	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_106	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_106	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_106	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_106	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_106	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_106	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_106	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_106	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_106	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_106	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_106	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_106	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_106	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_106	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_106	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_106	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_106	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_106	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_106	O=C1OCC(CC)O1	C4437858
MACCS_106	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_106	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_106	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_106	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_106	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_106	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_106	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_106	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_106	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_106	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_106	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_106	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_106	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_106	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_106	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_106	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_106	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_106	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_106	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_106	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_106	OP(OCC)OCC	C762049
MACCS_106	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_106	Cl[Dy](Cl)Cl	C10025748
MACCS_106	CCOC(OCC)OCC	C122510
MACCS_106	CCO[Si](OCC)(OCC)CC	C78079
MACCS_106	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_106	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_106	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_106	S=C(NC)NC	C534134
MACCS_106	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_106	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_106	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_106	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_106	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_106	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_106	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_106	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_106	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_106	CCO[Si](OCC)(C)OCC	C2031676
MACCS_106	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_106	CO[Si](OC)(CCC)OC	C1067250
MACCS_106	O=C(N)Nc1ccccc1	C64108
MACCS_106	NNC(=S)NC	C6610293
MACCS_106	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_106	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_106	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_106	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_106	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_106	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_106	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_106	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_106	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_106	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_106	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_106	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_106	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_106	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_106	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_106	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_106	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_106	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_106	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_106	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_106	OB(O)O	C10043353
MACCS_106	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_106	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_106	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_106	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_106	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_106	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_106	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_106	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_106	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_106	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_106	S=C1NCCN1	C96457
MACCS_106	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_106	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_106	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_106	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_106	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_106	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_106	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_106	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_106	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_106	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_106	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_106	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_106	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_106	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_106	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_106	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_106	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_106	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_106	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_106	CSC(=NOC(=O)NC)C	C16752775
MACCS_106	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_106	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_106	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_106	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_106	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_106	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_106	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_106	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_106	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_106	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_106	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_106	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_106	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_106	ClCCP(=O)(O)O	C16672870
MACCS_106	CCCN(CCC)C(=O)SCC	C759944
MACCS_106	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_106	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_106	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_106	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_106	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_106	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_106	NP(=O)(OC)SC	C10265926
MACCS_106	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_106	O=C(SCC)N1CCCCCC1	C2212671
MACCS_106	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_106	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_106	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_106	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_106	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_106	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_106	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_106	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_106	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_106	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_106	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_106	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_106	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_106	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_106	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_106	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_106	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_106	CN1CN(C)CSC1=S	C533744
MACCS_106	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_106	O=C(NCCCC)OCC#CI	C55406536
MACCS_106	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_106	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_106	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_106	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_106	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_106	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_106	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_106	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_106	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_106	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_106	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_106	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_106	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_106	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_106	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_106	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_106	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_106	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_106	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_106	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_106	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_106	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_106	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_106	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_106	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_106	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_106	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_106	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_106	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_106	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_106	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_106	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_106	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_106	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_106	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_106	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_106	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_106	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_106	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_106	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_106	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_106	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_106	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_106	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_106	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_106	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_106	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_106	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_106	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_106	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_106	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_106	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_106	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_106	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_106	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_106	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_106	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_106	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_106	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_106	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_106	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_106	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_106	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_106	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_106	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_106	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_106	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_106	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_106	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_106	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_106	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_106	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_106	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_106	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_106	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_106	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_106	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_106	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_106	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_106	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_106	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_106	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_106	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_106	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_106	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_106	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_106	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_106	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_106	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_106	O=C(N(C)C)Cl	C79447
MACCS_106	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_106	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_106	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_106	Sc1nc2c(cccc2)s1	C149304
MACCS_106	[nH]1c(=S)n(cc1)C	C60560
MACCS_106	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_106	CS(=O)(=O)OC	C66273
MACCS_106	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_106	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_106	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_106	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_106	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_106	O=S1(=O)CCCO1	C1120714
MACCS_106	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_106	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_106	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_106	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_106	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_106	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_106	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_106	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_106	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_106	C(=O)(N)N	C57136
MACCS_106	NC(=O)OCC	C51796
MACCS_106	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_106	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_106	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_106	CC1(C)NC(=O)NC1=O	C77714
MACCS_106	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_106	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_106	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_106	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_106	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_106	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_106	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_106	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_106	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_106	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_106	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_106	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_106	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_106	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_106	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_106	O=S(=O)(OCC)OCC	C64675
MACCS_106	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_106	O=S(=O)(OC)OC	C77781
MACCS_106	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_106	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_106	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_106	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_106	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_106	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_106	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_106	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_106	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_106	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_106	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_106	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_106	C(=O)(N)NO	C127071
MACCS_106	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_106	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_106	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_106	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_106	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_106	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_106	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_106	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_106	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_106	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_106	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_106	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_106	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_106	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_106	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_106	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_106	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_106	S=P(OCC)(OCC)SCSCC	C298022
MACCS_106	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_106	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_106	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_106	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_106	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_106	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_106	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_106	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_106	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_106	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_106	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_106	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_106	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_106	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_106	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_106	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_106	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_106	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_106	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_106	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_106	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_106	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_106	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_106	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_106	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_106	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_106	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_106	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_106	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_106	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_106	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_106	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_106	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_106	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_106	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_106	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_106	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_106	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_106	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_106	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_106	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_106	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_106	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_106	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_106	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_106	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_106	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_106	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_106	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_106	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_106	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_106	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_106	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_106	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_106	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_106	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_106	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_106	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_106	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_106	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_106	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_106	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_106	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_106	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_106	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_106	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_106	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_106	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_106	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_106	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_106	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_106	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_106	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_106	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_106	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_106	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_106	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_106	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_106	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_106	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_106	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_106	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_106	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_106	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_106	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_106	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_106	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_106	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_106	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_106	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_106	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_106	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_106	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_106	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_106	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_106	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_106	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_106	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_106	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_106	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_106	S=C(NCCCC)NCCCC	C109466
MACCS_106	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_106	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_106	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_106	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_106	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_106	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_106	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_106	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_106	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_106	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_106	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_106	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_106	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_106	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_106	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_106	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_106	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_106	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_106	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_106	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_106	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_106	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_106	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_106	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_106	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_106	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_106	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_106	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_106	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_106	Cl[In](Cl)Cl	C10025828
MACCS_106	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_106	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_106	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_106	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_106	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_106	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_106	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_106	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_106	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_106	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_106	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_106	O=P(OCCCC)(O)OCCCC	C107664
MACCS_106	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_106	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_106	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_106	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_106	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_106	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_106	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_106	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_106	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_106	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_106	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_106	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_106	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_106	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_106	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_106	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_106	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_106	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_106	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_106	Cl[Sb](Cl)Cl	C10025919
MACCS_106	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_106	Cl[Au](Cl)Cl	C13453071
MACCS_106	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_106	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_106	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_106	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_106	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_106	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_106	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_106	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_106	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_106	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_106	NNC(=O)OCc1ccccc1	C5331431
MACCS_106	Cl[In](Cl)Cl.O.O	C143983919
MACCS_106	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_107	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_107	CC(CNCC(C)O)O	C110974
MACCS_107	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_107	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_107	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_107	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_107	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_107	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_107	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_107	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_107	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_107	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_107	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_107	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_107	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_107	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_107	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_107	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_107	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_107	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_107	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_107	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_107	CCCCCCCCCC=O	C112312
MACCS_107	CCCCCCCCCCCC(=O)O	C143077
MACCS_107	O=CCCCCCC	C111717
MACCS_107	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_107	CCCCCCCCC=O	C124196
MACCS_107	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_107	CCOC(=O)CC(=O)OCC	C105533
MACCS_107	CCCCCC(=O)C	C110430
MACCS_107	CCNCCO	C110736
MACCS_107	CCCCCCO	C111273
MACCS_107	CCCCCCCO	C111706
MACCS_107	CCCCCCCCCC(=O)C	C112129
MACCS_107	CCCCCC(=O)OCC	C123660
MACCS_107	CCCCCCCCCCCCN	C124221
MACCS_107	CCCCCCCCCO	C143088
MACCS_107	CCCCCCC1OC(=O)CC1	C706149
MACCS_107	CC/C=C\CCO	C928961
MACCS_107	CCCCCCCCCCN	C2016571
MACCS_107	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_107	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_107	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_107	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_107	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_107	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_107	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_107	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_107	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_107	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_107	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_107	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_107	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_107	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_107	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_107	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_107	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_107	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_107	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_107	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_107	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_107	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_107	O=C(CC(C)C)CC(C)C	C108838
MACCS_107	N(CCCN)(C)C	C109557
MACCS_107	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_107	C(CCCCCC)CCCCCS	C112550
MACCS_107	C(CC)(C=O)CCCC	C123057
MACCS_107	OCC(C(O)CCC)CC	C94962
MACCS_107	CCC(=CCCC)C=O	C645625
MACCS_107	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_107	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_107	CC=C1CC2C=CC1C2	C16219753
MACCS_107	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_107	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_107	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_107	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_107	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_107	C(CCCCCCC)C	C111842
MACCS_107	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_107	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_107	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_107	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_107	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_107	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_107	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_107	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_107	O=C(C)OCC(CC)CCCC	C103093
MACCS_107	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_107	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_107	O=C(OC)CCCCCCCCC	C110429
MACCS_107	O=C(C)OCCOC(=O)C	C111557
MACCS_107	O=C(C)OCCOCCCC	C112072
MACCS_107	CCCCCCCCCCCCN(C)C	C112185
MACCS_107	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_107	OC(CCCCCC)C	C123966
MACCS_107	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_107	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_107	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_107	CC1=CCC(=C(C)C)CC1	C586629
MACCS_107	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_107	O=C(N(C)C)CCCCCCC	C1118929
MACCS_107	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_107	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_107	OCCOCCC	C2807309
MACCS_107	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_107	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_107	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_107	Nc1c(C)cccc1CC	C24549062
MACCS_107	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_107	SC(C)(C)CCCCCC	C25360105
MACCS_107	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_107	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_107	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_107	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_107	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_107	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_107	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_107	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_107	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_107	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_107	OC(CCCC(C)C)(C)CC	C78693
MACCS_107	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_107	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_107	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_107	OC(C)COCCC	C1569013
MACCS_107	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_107	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_107	OCC(CCC)CCCCC	C10042598
MACCS_107	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_107	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_107	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_107	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_107	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_107	CC(=C)C1CC=C(C)CC1	C138863
MACCS_107	OC1CC(CCC1C(C)C)C	C1490046
MACCS_107	OCCC(C)CC(C)(C)C	C3452979
MACCS_107	OC(OCCCC)CC	C29387868
MACCS_107	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_107	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_107	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_107	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_107	OCn1nc(C)cc1C	C85264331
MACCS_107	OCCSCCCCCCCC	C3547339
MACCS_107	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_107	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_107	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_107	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_107	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_107	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_107	O=C1OC(CCCCC)CC1	C104610
MACCS_107	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_107	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_107	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_107	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_107	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_107	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_107	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_107	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_107	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_107	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_107	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_107	OC(CCCCC)C=C	C3391864
MACCS_107	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_107	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_107	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_107	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_107	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_107	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_107	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_107	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_107	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_107	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_107	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_107	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_107	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_107	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_107	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_107	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_107	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_107	O=C(CC)OCC	C105373
MACCS_107	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_107	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_107	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_107	Nc1ccc(CCCCC)cc1	C33228443
MACCS_107	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_107	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_107	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_107	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_107	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_107	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_107	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_107	CC(C)C1=CCC(=CC1)C	C99854
MACCS_107	CC1=CC=C(C(C)C)CC1	C99865
MACCS_107	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_107	CC(O)COCC	C1569024
MACCS_107	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_107	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_107	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_107	O=C1CCC(O1)CC	C695067
MACCS_107	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_107	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_107	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_107	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_107	OC(CCCC(C)C)(C)C	C13254347
MACCS_107	O=C(C)OCC/C=C\CC	C3681718
MACCS_107	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_107	CCC(c1ccccc1)CCC	C4468422
MACCS_107	O=CCC/C=C\CCCCC	C21662099
MACCS_107	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_107	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_107	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_107	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_107	O=C(CCC)OCCCCC	C540181
MACCS_107	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_107	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_107	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_107	OC1CC(C)(C)CC(C)C1	C116029
MACCS_107	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_107	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_107	OCCOCC(CC)CCCC	C1559359
MACCS_107	O=C(CC)CCCCC	C106683
MACCS_107	OCCN(CC)CCO	C139877
MACCS_107	CCO[Si](OCC)(OCC)CC	C78079
MACCS_107	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_107	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_107	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_107	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_107	O=C(CCC)OCCCCCCC	C5870939
MACCS_107	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_107	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_107	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_107	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_107	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_107	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_107	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_107	OC(C)C(=O)OCCCC	C138227
MACCS_107	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_107	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_107	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_107	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_107	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_107	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_107	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_107	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_107	CO[Si](OC)(CCC)OC	C1067250
MACCS_107	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_107	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_107	O=C(C)OCCCCCCCC	C112141
MACCS_107	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_107	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_107	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_107	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_107	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_107	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_107	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_107	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_107	OCC(CCCC)CCCCCC	C3913028
MACCS_107	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_107	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_107	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_107	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_107	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_107	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_107	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_107	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_107	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_107	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_107	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_107	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_107	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_107	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_107	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_107	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_107	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_107	OCCOCC(C)OCCO	C9003116
MACCS_107	O=C1OC(CCC)CC1	C105215
MACCS_107	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_107	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_107	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_107	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_107	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_107	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_107	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_107	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_107	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_107	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_107	O=C1CCC(CCC)CC1	C40649363
MACCS_107	Clc1ccc(CCCCC)cc1	C79098207
MACCS_107	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_107	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_107	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_107	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_107	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_107	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_107	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_107	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_107	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_107	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_107	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_107	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_107	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_107	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_107	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_107	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_107	CCCN(CCC)C(=O)SCC	C759944
MACCS_107	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_107	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_107	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_107	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_107	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_107	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_107	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_107	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_107	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_107	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_107	CN1CN(C)CSC1=S	C533744
MACCS_107	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_107	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_107	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_107	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_107	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_107	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_107	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_107	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_107	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_107	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_107	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_107	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_107	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_107	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_107	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_107	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_107	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_107	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_107	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_107	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_107	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_107	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_107	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_107	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_107	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_107	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_107	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_107	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_107	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_107	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_107	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_107	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_107	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_107	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_107	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_107	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_107	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_107	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_107	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_107	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_107	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_107	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_107	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_107	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_107	CCC(CCCC)CO	C104767
MACCS_107	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_107	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_107	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_107	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_107	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_107	O=C1N(CCC1)C	C872504
MACCS_107	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_107	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_107	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_107	O=NN(CCC)CCC	C621647
MACCS_107	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_107	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_107	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_107	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_107	CCCCCCCCCC(=O)O	C334485
MACCS_107	O=C(O)CCCCCC	C111148
MACCS_107	CCCCCC(=O)O	C142621
MACCS_107	CCCCCCCCC(=O)O	C112050
MACCS_107	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_107	CCCCCCCC=O	C124130
MACCS_107	CCCCCCCC(=O)O	C124072
MACCS_107	CCCCCCCCCCC	C1120214
MACCS_107	CCN(CCO)CC	C100378
MACCS_107	CC(=O)OCCOCC	C111159
MACCS_107	CCCCCCCCO	C111875
MACCS_107	CCOCCOCCO	C111900
MACCS_107	CCCCCCCCCCO	C112301
MACCS_107	CCCCCCCCCCCCCO	C112709
MACCS_107	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_107	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_107	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_107	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_107	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_107	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_107	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_107	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_107	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_107	C(=O)(O)C(CCC)CCC	C99661
MACCS_107	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_107	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_107	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_107	CCOCCO	C110805
MACCS_107	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_107	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_107	OCCOCCOCCOCC	C112505
MACCS_107	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_107	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_107	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_107	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_107	C(CCCCCCCC)C	C124185
MACCS_107	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_107	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_107	COC(=O)CCCC(=O)OC	C1119400
MACCS_107	C(=O)(OC)CCC(=O)OC	C106650
MACCS_107	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_107	O=C(O)C(CCCC)CC	C149575
MACCS_107	C(CC(C)C)OC(=O)C	C123922
MACCS_107	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_107	O=c1ccsn1CCCCCCCC	C26530201
MACCS_107	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_107	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_107	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_107	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_107	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_107	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_107	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_107	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_107	OCCC(C)CCC=C(C)C	C106229
MACCS_107	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_107	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_107	O=C(OC)CCCCCCC	C111115
MACCS_107	O=C(OC)CCCCCCCCCCC	C111820
MACCS_107	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_107	OCCOCCCCCC	C112254
MACCS_107	OCCCCCCCCCCC	C112425
MACCS_107	OCCCCCCCCCCCC	C112538
MACCS_107	OCCCCCCCCCCCCCC	C112721
MACCS_107	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_107	CCCCCCCCCCCCCCCC	C544763
MACCS_107	O=C(C)OCCCCC	C628637
MACCS_107	CCCCCCCCCCCCCCC	C629629
MACCS_107	OCCCCCCCCCCCCCCC	C629765
MACCS_107	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_107	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_107	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_107	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_107	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_107	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_107	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_107	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_107	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_107	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_107	OC(OCCCOC)CC	C34590948
MACCS_107	OCCCCCCCCCCCCCCCC	C36653824
MACCS_107	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_107	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_107	CCC12N(COC1)COC2	C7747355
MACCS_107	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_107	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_107	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_107	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_107	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_107	O=C1CCC(O1)CCCCCCC	C104676
MACCS_107	CCCCCCCCN(C)C	C7378996
MACCS_107	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_107	O=C(OCC)CCC(=O)OCC	C123251
MACCS_107	O=C(CCC)OCC	C105544
MACCS_107	O=C(OCC)CCCCCC	C106309
MACCS_107	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_107	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_107	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_107	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_107	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_107	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_107	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_107	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_107	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_107	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_107	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_107	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_107	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_107	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_107	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_107	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_107	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_107	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_107	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_107	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_107	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_107	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_107	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_107	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_107	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_107	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_107	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_107	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_107	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_107	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_107	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_107	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_107	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_107	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_107	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_107	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_107	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_107	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_107	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_107	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_107	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_107	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_107	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_107	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_107	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_107	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_107	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_107	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_107	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_107	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_107	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_107	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_107	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_107	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_107	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_107	C=CCCCCCCCCCCCC	C1120361
MACCS_107	OC(C(CC)CCCC)C#C	C5877429
MACCS_107	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_107	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_107	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_107	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_107	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_107	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_107	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_107	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_107	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_107	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_107	OCCC(OC)C	C2517433
MACCS_107	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_107	O=CCC(C)CCC=C(C)C	C106230
MACCS_107	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_107	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_107	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_107	CC(=O)OCCCC	C123864
MACCS_107	CCCCCC=O	C66251
MACCS_107	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_107	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_107	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_107	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_107	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_107	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_107	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_107	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_107	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_107	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_107	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_107	O=CC=CC=CCCCCC	C25152845
MACCS_107	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_107	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_107	ClC(=O)C(CC)CCCC	C760678
MACCS_107	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_107	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_107	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_107	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_107	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_107	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_107	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_107	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_107	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_107	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_107	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_107	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_107	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_107	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_107	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_107	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_107	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_107	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_107	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_107	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_107	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_107	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_107	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_107	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_107	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_107	N#CSCCCCCCCCCCCC	C765151
MACCS_107	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_107	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_107	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_107	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_107	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_107	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_107	CCCCCCCCCCCCN.Cl	C929737
MACCS_107	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_107	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_107	BrCCCCCCCCCCCC	C143157
MACCS_107	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_107	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_107	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_107	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_107	O=C(OC)CCCC(=O)O	C1501275
MACCS_107	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_107	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_107	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_107	NCCCOCCCCCCCC	C15930662
MACCS_107	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_107	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_107	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_107	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_107	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_107	O=C/C=C/CCCCCCC	C3913813
MACCS_107	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_107	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_107	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_107	S=C=NCCCSC	C505793
MACCS_107	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_107	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_107	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_107	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_107	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_107	CC/C=C\CCOC(OCC)C	C28069741
MACCS_107	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_107	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_107	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_107	CCCCCCCCCC(C)C=O	C110418
MACCS_107	CCCCCc1ccco1	C3777693
MACCS_107	CCC(=O)C(=O)CC	C4437518
MACCS_107	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_108	C=CCO	C107186
MACCS_108	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_108	CC(=O)OCc1ccccc1	C140114
MACCS_108	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_108	ClCOC	C107302
MACCS_108	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_108	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_108	CN(CCO)C	C108010
MACCS_108	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_108	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_108	OC(CO)CCl	C96242
MACCS_108	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_108	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_108	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_108	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_108	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_108	OCCOCCOCCOCCCC	C143226
MACCS_108	OCCC	C71238
MACCS_108	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_108	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_108	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_108	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_108	OCCN1CCNCC1	C103764
MACCS_108	CCOC(=O)CC(=O)OCC	C105533
MACCS_108	C(O)C#CCO	C110656
MACCS_108	CCNCCO	C110736
MACCS_108	CCCCCCO	C111273
MACCS_108	CCCCCCCO	C111706
MACCS_108	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_108	CCCCCC(=O)OCC	C123660
MACCS_108	CCCCCCCCCO	C143088
MACCS_108	C=CC(=O)OCCO	C818611
MACCS_108	CC/C=C\CCO	C928961
MACCS_108	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_108	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_108	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_108	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_108	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_108	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_108	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_108	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_108	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_108	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_108	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_108	NC(CO)(CO)CO	C77861
MACCS_108	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_108	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_108	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_108	CC(O)COC	C107982
MACCS_108	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_108	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_108	OCCCCO	C110634
MACCS_108	O=C(OCCCC)C=C	C141322
MACCS_108	C(OCCCC)C1CO1	C2426086
MACCS_108	OCNC(=O)NCO	C140954
MACCS_108	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_108	O=C(OCC)c1c(N)cccc1	C87252
MACCS_108	OCC(C(O)CCC)CC	C94962
MACCS_108	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_108	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_108	c1c(CO)occ1	C98000
MACCS_108	C(=O)(O)CO	C79141
MACCS_108	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_108	C1COCCN1	C110918
MACCS_108	O(c1ccc(N)cc1)CC	C156434
MACCS_108	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_108	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_108	O=P(OCC)(OCC)OCC	C78400
MACCS_108	ClCCOP(OCCCl)OCCCl	C140089
MACCS_108	OCCc1ccccc1	C60128
MACCS_108	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_108	O=C(C)OCC(CC)CCCC	C103093
MACCS_108	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_108	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_108	O=C1OCC(C)O1	C108327
MACCS_108	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_108	O=C(C)OCCOC(=O)C	C111557
MACCS_108	O=C(C)OCCOCCCC	C112072
MACCS_108	OCCOCCOCCOC	C112356
MACCS_108	OCCOCCOCCOCCO	C112607
MACCS_108	OCC(CO)(CO)CO	C115775
MACCS_108	OCC(N)(C)C	C124685
MACCS_108	OCC(C)(C)CO	C126307
MACCS_108	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_108	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_108	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_108	OC(C)COc1ccccc1	C770354
MACCS_108	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_108	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_108	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_108	OCCOCCOCCOCCOCCCC	C1559348
MACCS_108	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_108	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_108	OCCOCCC	C2807309
MACCS_108	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_108	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_108	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_108	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_108	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_108	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_108	CC(CO)O	C25322694
MACCS_108	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_108	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_108	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_108	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_108	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_108	OCC1OCCC1	C97994
MACCS_108	CN1CCOCC1	C109024
MACCS_108	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_108	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_108	OC(C)COCCC	C1569013
MACCS_108	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_108	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_108	OCC(CCC)CCCCC	C10042598
MACCS_108	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_108	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_108	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_108	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_108	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_108	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_108	OCCC(C)CC(C)(C)C	C3452979
MACCS_108	OC(OCCCC)CC	C29387868
MACCS_108	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_108	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_108	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_108	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_108	OCn1nc(C)cc1C	C85264331
MACCS_108	OCCSCCCCCCCC	C3547339
MACCS_108	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_108	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_108	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_108	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_108	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_108	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_108	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_108	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_108	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_108	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_108	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_108	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_108	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_108	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_108	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_108	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_108	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_108	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_108	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_108	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_108	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_108	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_108	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_108	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_108	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_108	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_108	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_108	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_108	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_108	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_108	O=C(CC)OCC	C105373
MACCS_108	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_108	O=C1OCC(CC)O1	C4437858
MACCS_108	O=C(CBr)OCc1ccccc1	C5437456
MACCS_108	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_108	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_108	O=C(OCC)c1c(C)cccc1	C87241
MACCS_108	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_108	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_108	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_108	CC(O)COCC	C1569024
MACCS_108	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_108	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_108	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_108	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_108	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_108	O1C=CCCC1	C110872
MACCS_108	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_108	O=C(C)OCC/C=C\CC	C3681718
MACCS_108	OCC=Cc1ccccc1	C104541
MACCS_108	NCCCN1CCOCC1	C123002
MACCS_108	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_108	O=C(CCC)OCCCCC	C540181
MACCS_108	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_108	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_108	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_108	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_108	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_108	OP(OCC)OCC	C762049
MACCS_108	OCCOCC(CC)CCCC	C1559359
MACCS_108	OCCN(CC)CCO	C139877
MACCS_108	CCOC(OCC)OCC	C122510
MACCS_108	CCO[Si](OCC)(OCC)CC	C78079
MACCS_108	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_108	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_108	O=C(CCC)OCCCCCCC	C5870939
MACCS_108	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_108	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_108	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_108	OC(C)C(=O)OCCCC	C138227
MACCS_108	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_108	Oc1c(OCC)cccc1	C94713
MACCS_108	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_108	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_108	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_108	OC(CO)c1ccccc1	C93561
MACCS_108	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_108	CCO[Si](OCC)(C)OCC	C2031676
MACCS_108	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_108	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_108	O=C(C)OCCCCCCCC	C112141
MACCS_108	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_108	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_108	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_108	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_108	OCC(CCCC)CCCCCC	C3913028
MACCS_108	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_108	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_108	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_108	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_108	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_108	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_108	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_108	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_108	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_108	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_108	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_108	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_108	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_108	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_108	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_108	OCCOCC(C)OCCO	C9003116
MACCS_108	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_108	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_108	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_108	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_108	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_108	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_108	Nc1ccc(cc1)OCCCC	C4344552
MACCS_108	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_108	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_108	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_108	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_108	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_108	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_108	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_108	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_108	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_108	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_108	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_108	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_108	c1ccccc1OCCO	C122996
MACCS_108	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_108	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_108	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_108	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_108	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_108	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_108	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_108	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_108	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_108	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_108	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_108	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_108	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_108	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_108	OCCOC	C109864
MACCS_108	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_108	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_108	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_108	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_108	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_108	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_108	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_108	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_108	O=C(NCCCC)OCC#CI	C55406536
MACCS_108	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_108	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_108	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_108	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_108	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_108	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_108	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_108	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_108	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_108	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_108	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_108	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_108	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_108	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_108	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_108	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_108	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_108	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_108	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_108	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_108	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_108	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_108	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_108	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_108	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_108	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_108	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_108	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_108	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_108	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_108	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_108	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_108	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_108	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_108	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_108	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_108	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_108	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_108	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_108	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_108	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_108	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_108	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_108	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_108	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_108	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_108	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_108	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_108	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_108	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_108	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_108	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_108	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_108	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_108	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_108	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_108	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_108	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_108	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_108	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_108	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_108	OCc1ccccc1	C100516
MACCS_108	OCC(CO)(CBr)CBr	C3296900
MACCS_108	ClCCOCCCl	C111444
MACCS_108	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_108	O=C1CCCO1	C96480
MACCS_108	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_108	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_108	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_108	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_108	OCCOCCO	C111466
MACCS_108	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_108	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_108	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_108	C(CO)O	C107211
MACCS_108	O1C2C1CCC(C2)C1CO1	C106876
MACCS_108	CCC(CCCC)CO	C104767
MACCS_108	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_108	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_108	OCC(O)CO	C56815
MACCS_108	OCC1CO1	C556525
MACCS_108	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_108	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_108	O=S1(=O)CCCO1	C1120714
MACCS_108	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_108	CC(CO)O	C57556
MACCS_108	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_108	C1C(c2ccccc2)O1	C96093
MACCS_108	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_108	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_108	OCCN(CCO)CCO	C102716
MACCS_108	OCCOCCOCCO	C112276
MACCS_108	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_108	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_108	NC(=O)OCC	C51796
MACCS_108	CCCCOCCOCCO	C112345
MACCS_108	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_108	CCN(CCO)CC	C100378
MACCS_108	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_108	ClCCO	C107073
MACCS_108	CC(=O)OCCOCC	C111159
MACCS_108	OCCNCCO	C111422
MACCS_108	CCCCCCCCO	C111875
MACCS_108	CCOCCOCCO	C111900
MACCS_108	CCCCCCCCCCO	C112301
MACCS_108	CCCCCCCCCCCCCO	C112709
MACCS_108	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_108	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_108	OCCN	C141435
MACCS_108	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_108	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_108	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_108	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_108	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_108	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_108	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_108	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_108	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_108	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_108	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_108	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_108	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_108	O=S(=O)(OCC)OCC	C64675
MACCS_108	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_108	CCOCCO	C110805
MACCS_108	CCCCOCCO	C111762
MACCS_108	OCCOCCOCCOCC	C112505
MACCS_108	O(CCOC)CCOC	C111966
MACCS_108	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_108	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_108	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_108	O(CCOC)CCO	C111773
MACCS_108	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_108	C(CC(C)C)OC(=O)C	C123922
MACCS_108	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_108	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_108	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_108	C(OCCOC)COCCOC	C112492
MACCS_108	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_108	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_108	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_108	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_108	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_108	OCCC(C)CCC=C(C)C	C106229
MACCS_108	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_108	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_108	OCCC(O)C	C107880
MACCS_108	OCCOCCCCCC	C112254
MACCS_108	OCCCCCCCCCCC	C112425
MACCS_108	OCCCCCCCCCCCC	C112538
MACCS_108	OCCCCCCCCCCCCCC	C112721
MACCS_108	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_108	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_108	O=C(C)OCCCCC	C628637
MACCS_108	OCCCCCCCCCCCCCCC	C629765
MACCS_108	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_108	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_108	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_108	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_108	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_108	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_108	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_108	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_108	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_108	OC(OCCCOC)CC	C34590948
MACCS_108	OCCCCCCCCCCCCCCCC	C36653824
MACCS_108	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_108	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_108	CCC12N(COC1)COC2	C7747355
MACCS_108	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_108	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_108	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_108	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_108	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_108	S=P(OCC)(OCC)SCSCC	C298022
MACCS_108	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_108	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_108	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_108	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_108	O=C(OCC)CCC(=O)OCC	C123251
MACCS_108	O=C(CCC)OCC	C105544
MACCS_108	O=C(OCC)CCCCCC	C106309
MACCS_108	O=C(OCCCC)c1ccccc1	C136607
MACCS_108	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_108	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_108	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_108	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_108	O=C(CCC)OCCC(C)C	C106274
MACCS_108	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_108	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_108	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_108	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_108	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_108	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_108	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_108	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_108	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_108	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_108	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_108	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_108	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_108	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_108	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_108	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_108	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_108	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_108	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_108	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_108	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_108	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_108	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_108	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_108	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_108	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_108	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_108	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_108	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_108	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_108	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_108	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_108	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_108	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_108	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_108	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_108	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_108	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_108	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_108	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_108	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_108	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_108	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_108	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_108	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_108	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_108	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_108	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_108	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_108	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_108	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_108	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_108	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_108	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_108	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_108	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_108	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_108	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_108	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_108	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_108	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_108	OCCCBr	C627189
MACCS_108	C(CO)C(C)C	C123513
MACCS_108	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_108	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_108	NCCOCCOCCN	C929599
MACCS_108	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_108	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_108	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_108	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_108	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_108	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_108	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_108	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_108	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_108	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_108	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_108	OCCC(OC)C	C2517433
MACCS_108	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_108	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_108	O=COCC	C109944
MACCS_108	O=C(OCC)c1ccccc1	C93890
MACCS_108	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_108	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_108	CC(=O)OCC	C141786
MACCS_108	CC(=O)OCCCC	C123864
MACCS_108	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_108	CCC1CO1	C106887
MACCS_108	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_108	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_108	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_108	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_108	CC(c1ccc(CO)cc1)C	C536607
MACCS_108	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_108	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_108	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_108	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_108	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_108	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_108	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_108	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_108	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_108	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_108	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_108	OCC=C(C)C	C556821
MACCS_108	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_108	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_108	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_108	OCc1c[nH]c2c1cccc2	C700061
MACCS_108	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_108	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_108	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_108	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_108	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_108	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_108	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_108	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_108	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_108	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_108	O=P(OCCCC)(O)OCCCC	C107664
MACCS_108	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_108	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_108	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_108	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_108	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_108	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_108	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_108	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_108	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_108	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_108	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_108	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_108	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_108	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_108	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_108	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_108	O=C(OCCCCO)C=C	C2478106
MACCS_108	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_108	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_108	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_108	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_108	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_108	NCCCOCCCCCCCC	C15930662
MACCS_108	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_108	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_108	CC1COc2ccccc2N1	C32329207
MACCS_108	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_108	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_108	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_108	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_108	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_108	CC/C=C\CCOC(OCC)C	C28069741
MACCS_108	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_108	NNC(=O)OCc1ccccc1	C5331431
MACCS_108	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_108	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_108	O=COCc1ccc(OC)cc1	C122918
MACCS_109	CC(=O)N	C60355
MACCS_109	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_109	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_109	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_109	CN(C)C(=O)C	C127195
MACCS_109	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_109	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_109	NC(=O)OC	C598550
MACCS_109	NC(=O)c1cccnc1	C98920
MACCS_109	CN(C(=O)N)N=O	C684935
MACCS_109	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_109	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_109	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_109	c1(O)ccccc1C(=O)N	C65452
MACCS_109	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_109	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_109	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_109	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_109	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_109	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_109	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_109	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_109	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_109	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_109	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_109	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_109	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_109	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_109	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_109	O=C(N)N=NC(=O)N	C123773
MACCS_109	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_109	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_109	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_109	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_109	OCNC(=O)NCO	C140954
MACCS_109	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_109	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_109	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_109	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_109	O=C1NCCC1	C616455
MACCS_109	O=C(N)[O-].[NH4+]	C1111780
MACCS_109	O=C(N(C)C)CCCCCCC	C1118929
MACCS_109	O=C(N(C)C)CC(=O)C	C2044646
MACCS_109	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_109	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_109	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_109	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_109	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_109	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_109	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_109	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_109	O=C1NC2NC(=O)NC2N1	C496468
MACCS_109	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_109	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_109	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_109	OCn1nc(C)cc1C	C85264331
MACCS_109	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_109	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_109	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_109	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_109	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_109	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_109	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_109	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_109	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_109	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_109	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_109	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_109	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_109	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_109	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_109	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_109	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_109	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_109	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_109	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_109	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_109	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_109	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_109	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_109	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_109	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_109	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_109	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_109	O=C(Nc1ccccc1)CCl	C587655
MACCS_109	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_109	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_109	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_109	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_109	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_109	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_109	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_109	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_109	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_109	O=C(N)Nc1ccccc1	C64108
MACCS_109	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_109	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_109	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_109	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_109	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_109	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_109	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_109	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_109	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_109	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_109	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_109	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_109	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_109	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_109	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_109	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_109	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_109	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_109	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_109	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_109	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_109	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_109	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_109	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_109	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_109	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_109	CSC(=NOC(=O)NC)C	C16752775
MACCS_109	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_109	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_109	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_109	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_109	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_109	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_109	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_109	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_109	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_109	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_109	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_109	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_109	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_109	CCCN(CCC)C(=O)SCC	C759944
MACCS_109	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_109	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_109	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_109	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_109	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_109	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_109	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_109	O=C(SCC)N1CCCCCC1	C2212671
MACCS_109	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_109	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_109	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_109	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_109	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_109	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_109	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_109	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_109	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_109	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_109	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_109	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_109	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_109	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_109	O=C(NCCCC)OCC#CI	C55406536
MACCS_109	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_109	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_109	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_109	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_109	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_109	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_109	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_109	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_109	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_109	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_109	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_109	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_109	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_109	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_109	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_109	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_109	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_109	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_109	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_109	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_109	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_109	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_109	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_109	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_109	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_109	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_109	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_109	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_109	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_109	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_109	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_109	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_109	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_109	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_109	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_109	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_109	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_109	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_109	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_109	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_109	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_109	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_109	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_109	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_109	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_109	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_109	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_109	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_109	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_109	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_109	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_109	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_109	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_109	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_109	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_109	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_109	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_109	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_109	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_109	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_109	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_109	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_109	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_109	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_109	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_109	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_109	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_109	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_109	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_109	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_109	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_109	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_109	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_109	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_109	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_109	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_109	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_109	NC(=O)C=C	C79061
MACCS_109	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_109	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_109	O=C1CCCCCN1	C105602
MACCS_109	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_109	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_109	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_109	O=C(N(C)C)Cl	C79447
MACCS_109	CN(C=O)C	C68122
MACCS_109	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_109	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_109	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_109	O=C(c1ccncc1)NN	C54853
MACCS_109	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_109	O=C1N(CCC1)C	C872504
MACCS_109	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_109	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_109	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_109	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_109	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_109	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_109	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_109	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_109	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_109	C(=O)(N)N	C57136
MACCS_109	NC(=O)OCC	C51796
MACCS_109	O=C1N(C=C)CCC1	C88120
MACCS_109	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_109	CC1(C)NC(=O)NC1=O	C77714
MACCS_109	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_109	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_109	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_109	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_109	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_109	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_109	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_109	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_109	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_109	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_109	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_109	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_109	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_109	O=C=NCCCCCCN=C=O	C822060
MACCS_109	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_109	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_109	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_109	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_109	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_109	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_109	C(=O)(N)NO	C127071
MACCS_109	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_109	O=c1ccsn1CCCCCCCC	C26530201
MACCS_109	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_109	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_109	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_109	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_109	CCC12N(COC1)COC2	C7747355
MACCS_109	O=C(N)C(=C)C	C79390
MACCS_109	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_109	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_109	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_109	O=c1[nH]sc2c1cccc2	C2634335
MACCS_109	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_109	O=c1n(C)sc(Cl)c1	C26172554
MACCS_109	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_109	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_109	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_109	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_109	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_109	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_109	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_109	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_109	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_109	O=C(C)NC	C79163
MACCS_109	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_109	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_109	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_109	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_109	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_109	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_109	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_109	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_109	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_109	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_109	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_109	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_109	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_109	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_109	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_109	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_109	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_109	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_109	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_109	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_109	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_109	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_109	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_109	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_109	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_109	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_109	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_109	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_109	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_109	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_109	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_109	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_109	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_109	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_109	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_109	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_109	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_109	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_109	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_109	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_109	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_109	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_109	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_109	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_109	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_109	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_109	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_109	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_109	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_109	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_109	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_109	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_109	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_109	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_109	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_109	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_109	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_109	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_109	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_109	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_109	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_109	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_109	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_109	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_109	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_109	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_109	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_109	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_109	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_109	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_109	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_109	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_109	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_109	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_109	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_109	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_109	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_109	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_109	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_109	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_109	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_109	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_109	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_109	C(=O)N	C75127
MACCS_109	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_109	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_109	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_109	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_109	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_109	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_109	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_109	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_109	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_109	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_109	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_109	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_109	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_109	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_109	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_109	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_109	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_109	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_109	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_109	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_109	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_109	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_109	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_109	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_109	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_109	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_109	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_109	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_109	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_109	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_109	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_109	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_109	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_109	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_109	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_109	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_109	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_109	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_109	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_109	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_109	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_109	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_109	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_109	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_109	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_109	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_109	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_109	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_109	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_109	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_109	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_109	O=c1cc(C)o[nH]1	C10004441
MACCS_109	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_109	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_109	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_109	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_109	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_109	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_109	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_109	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_109	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_109	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_109	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_109	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_109	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_109	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_109	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_109	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_109	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_109	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_109	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_109	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_109	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_109	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_109	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_109	O=CN1CCCCC1	C2591868
MACCS_109	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_109	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_109	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_109	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_109	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_109	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_109	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_109	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_109	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_109	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_109	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_109	NNC(=O)OCc1ccccc1	C5331431
MACCS_109	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_109	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_109	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_110	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_110	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_110	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_110	CN(CCO)C	C108010
MACCS_110	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_110	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_110	O=NN1CCCC1	C930552
MACCS_110	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_110	ON=C1CCCCC1	C100641
MACCS_110	OCCN1CCNCC1	C103764
MACCS_110	N#CCC#N	C109773
MACCS_110	CCNCCO	C110736
MACCS_110	CCCCCCCCCCCCN	C124221
MACCS_110	NCCN1CCNCC1	C140318
MACCS_110	CCCCCCCCCCN	C2016571
MACCS_110	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_110	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_110	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_110	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_110	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_110	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_110	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_110	NC(CO)(CO)CO	C77861
MACCS_110	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_110	ON=CCCC	C110690
MACCS_110	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_110	C(CCN)CCCN	C124094
MACCS_110	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_110	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_110	N(CCN)CCN	C111400
MACCS_110	N(CCCN)(C)C	C109557
MACCS_110	N#CC(CCC#N)C	C4553622
MACCS_110	C1COCCN1	C110918
MACCS_110	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_110	N1CCCCCC1	C111499
MACCS_110	CCCCCCCCCCCCN(C)C	C112185
MACCS_110	OCC(N)(C)C	C124685
MACCS_110	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_110	O=C1NCCC1	C616455
MACCS_110	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_110	O=C(N(C)C)CCCCCCC	C1118929
MACCS_110	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_110	O=C(N(C)C)CC(=O)C	C2044646
MACCS_110	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_110	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_110	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_110	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_110	CN1CCOCC1	C109024
MACCS_110	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_110	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_110	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_110	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_110	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_110	OCn1nc(C)cc1C	C85264331
MACCS_110	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_110	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_110	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_110	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_110	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_110	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_110	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_110	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_110	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_110	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_110	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_110	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_110	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_110	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_110	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_110	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_110	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_110	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_110	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_110	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_110	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_110	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_110	O=C(Nc1ccccc1)CCl	C587655
MACCS_110	NCCCN1CCOCC1	C123002
MACCS_110	OCCN(CC)CCO	C139877
MACCS_110	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_110	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_110	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_110	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_110	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_110	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_110	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_110	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_110	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_110	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_110	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_110	NCCN.I.I	C5700492
MACCS_110	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_110	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_110	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_110	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_110	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_110	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_110	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_110	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_110	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_110	S=C1NCCN1	C96457
MACCS_110	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_110	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_110	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_110	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_110	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_110	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_110	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_110	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_110	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_110	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_110	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_110	CCCN(CCC)C(=O)SCC	C759944
MACCS_110	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_110	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_110	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_110	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_110	O=C(SCC)N1CCCCCC1	C2212671
MACCS_110	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_110	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_110	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_110	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_110	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_110	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_110	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_110	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_110	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_110	O=C(NCCCC)OCC#CI	C55406536
MACCS_110	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_110	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_110	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_110	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_110	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_110	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_110	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_110	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_110	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_110	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_110	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_110	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_110	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_110	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_110	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_110	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_110	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_110	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_110	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_110	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_110	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_110	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_110	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_110	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_110	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_110	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_110	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_110	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_110	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_110	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_110	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_110	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_110	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_110	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_110	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_110	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_110	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_110	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_110	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_110	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_110	O=C1CCCCCN1	C105602
MACCS_110	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_110	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_110	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_110	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_110	O=C1N(CCC1)C	C872504
MACCS_110	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_110	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_110	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_110	O=NN(CCCC)CCCC	C924163
MACCS_110	CCN(CC)N=O	C55185
MACCS_110	O=NN(CCC)CCC	C621647
MACCS_110	C1CNCCN1	C110850
MACCS_110	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_110	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_110	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_110	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_110	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_110	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_110	OCCN(CCO)CCO	C102716
MACCS_110	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_110	O=C1N(C=C)CCC1	C88120
MACCS_110	CCC(=NO)C	C96297
MACCS_110	CCN(CCO)CC	C100378
MACCS_110	OCCNCCO	C111422
MACCS_110	N#CCCCCC#N	C111693
MACCS_110	OCCN	C141435
MACCS_110	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_110	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_110	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_110	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_110	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_110	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_110	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_110	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_110	NC1CCCCC1	C108918
MACCS_110	O=C=NCCCCCCN=C=O	C822060
MACCS_110	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_110	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_110	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_110	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_110	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_110	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_110	O=c1ccsn1CCCCCCCC	C26530201
MACCS_110	N(CCCC)(CCCC)CCCC	C102829
MACCS_110	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_110	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_110	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_110	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_110	CCC12N(COC1)COC2	C7747355
MACCS_110	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_110	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_110	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_110	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_110	CCCCCCCCN(C)C	C7378996
MACCS_110	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_110	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_110	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_110	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_110	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_110	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_110	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_110	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_110	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_110	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_110	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_110	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_110	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_110	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_110	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_110	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_110	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_110	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_110	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_110	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_110	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_110	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_110	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_110	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_110	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_110	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_110	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_110	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_110	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_110	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_110	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_110	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_110	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_110	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_110	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_110	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_110	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_110	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_110	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_110	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_110	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_110	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_110	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_110	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_110	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_110	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_110	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_110	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_110	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_110	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_110	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_110	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_110	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_110	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_110	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_110	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_110	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_110	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_110	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_110	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_110	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_110	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_110	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_110	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_110	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_110	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_110	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_110	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_110	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_110	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_110	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_110	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_110	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_110	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_110	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_110	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_110	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_110	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_110	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_110	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_110	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_110	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_110	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_110	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_110	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_110	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_110	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_110	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_110	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_110	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_110	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_110	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_110	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_110	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_110	NCCOCCOCCN	C929599
MACCS_110	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_110	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_110	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_110	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_110	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_110	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_110	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_110	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_110	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_110	S=C(NCCCC)NCCCC	C109466
MACCS_110	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_110	N(CCN(C)C)(C)C	C110189
MACCS_110	NCCN	C107153
MACCS_110	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_110	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_110	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_110	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_110	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_110	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_110	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_110	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_110	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_110	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_110	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_110	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_110	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_110	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_110	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_110	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_110	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_110	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_110	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_110	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_110	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_110	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_110	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_110	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_110	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_110	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_110	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_110	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_110	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_110	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_110	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_110	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_110	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_110	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_110	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_110	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_110	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_110	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_110	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_110	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_110	O=CN1CCCCC1	C2591868
MACCS_110	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_110	CCCCCCCCCCCCN.Cl	C929737
MACCS_110	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_110	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_110	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_110	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_110	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_110	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_110	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_110	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_110	NCCCOCCCCCCCC	C15930662
MACCS_110	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_110	CC1COc2ccccc2N1	C32329207
MACCS_110	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_110	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_110	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_110	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_110	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_110	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_110	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_110	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_110	S=C=NCCCSC	C505793
MACCS_110	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_110	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_110	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_110	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_110	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_110	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_110	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_111	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_111	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_111	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_111	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_111	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_111	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_111	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_111	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_111	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_111	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_111	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_111	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_111	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_111	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_111	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_111	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_111	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_111	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_111	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_111	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_111	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_111	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_111	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_111	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_111	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_111	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_111	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_111	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_111	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_111	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_111	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_111	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_111	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_111	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_111	O=P(OC)(OC)OC	C512561
MACCS_111	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_111	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_111	F[B-](F)(F)F.[Na+]	C13755298
MACCS_111	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_111	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_111	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_111	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_111	CC(O)CC(C)(C)O	C107415
MACCS_111	O=C(OC(C)(C)C)C	C540885
MACCS_111	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_111	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_111	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_111	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_111	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_111	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_111	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_111	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_111	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_111	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_111	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_111	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_111	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_111	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_111	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_111	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_111	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_111	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_111	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_111	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_111	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_111	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_111	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_111	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_111	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_111	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_111	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_111	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_111	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_111	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_111	NC(CO)(CO)CO	C77861
MACCS_111	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_111	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_111	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_111	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_111	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_111	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_111	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_111	OP(=O)(O)O	C7664382
MACCS_111	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_111	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_111	C(C)(C)(C)N	C75649
MACCS_111	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_111	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_111	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_111	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_111	C(C(=O)C)C(C)(C)O	C123422
MACCS_111	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_111	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_111	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_111	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_111	C(C)(C)(O)C#N	C75865
MACCS_111	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_111	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_111	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_111	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_111	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_111	O=P(OCC)(OCC)OCC	C78400
MACCS_111	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_111	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_111	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_111	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_111	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_111	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_111	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_111	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_111	OCC(CO)(CO)CO	C115775
MACCS_111	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_111	OCC(N)(C)C	C124685
MACCS_111	OCC(C)(C)CO	C126307
MACCS_111	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_111	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_111	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_111	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_111	Cl[Sn](C)(C)Cl	C753731
MACCS_111	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_111	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_111	O=C(N)[O-].[NH4+]	C1111780
MACCS_111	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_111	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_111	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_111	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_111	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_111	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_111	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_111	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_111	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_111	SC(C)(C)CCCCCC	C25360105
MACCS_111	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_111	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_111	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_111	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_111	OC(CCCC(C)C)(C)CC	C78693
MACCS_111	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_111	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_111	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_111	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_111	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_111	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_111	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_111	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_111	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_111	N#C[S-].[NH4+]	C1762954
MACCS_111	OCCC(C)CC(C)(C)C	C3452979
MACCS_111	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_111	ClC(Cl)(C)C	C594207
MACCS_111	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_111	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_111	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_111	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_111	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_111	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_111	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_111	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_111	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_111	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_111	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_111	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_111	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_111	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_111	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_111	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_111	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_111	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_111	O=S(=O)(N)O	C5329146
MACCS_111	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_111	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_111	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_111	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_111	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_111	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_111	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_111	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_111	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_111	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_111	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_111	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_111	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_111	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_111	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_111	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_111	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_111	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_111	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_111	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_111	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_111	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_111	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_111	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_111	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_111	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_111	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_111	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_111	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_111	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_111	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_111	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_111	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_111	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_111	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_111	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_111	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_111	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_111	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_111	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_111	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_111	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_111	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_111	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_111	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_111	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_111	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_111	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_111	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_111	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_111	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_111	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_111	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_111	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_111	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_111	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_111	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_111	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_111	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_111	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_111	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_111	OC(CCCC(C)C)(C)C	C13254347
MACCS_111	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_111	OC(CC(C)C)(C)C#C	C107540
MACCS_111	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_111	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_111	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_111	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_111	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_111	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_111	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_111	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_111	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_111	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_111	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_111	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_111	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_111	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_111	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_111	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_111	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_111	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_111	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_111	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_111	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_111	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_111	OC1CC(C)(C)CC(C)C1	C116029
MACCS_111	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_111	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_111	CCO[Si](OCC)(OCC)CC	C78079
MACCS_111	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_111	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_111	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_111	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_111	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_111	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_111	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_111	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_111	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_111	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_111	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_111	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_111	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_111	CO[Si](C)(C)OC	C1112396
MACCS_111	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_111	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_111	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_111	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_111	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_111	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_111	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_111	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_111	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_111	CCO[Si](OCC)(C)OCC	C2031676
MACCS_111	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_111	CO[Si](OC)(CCC)OC	C1067250
MACCS_111	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_111	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_111	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_111	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_111	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_111	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_111	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_111	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_111	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_111	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_111	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_111	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_111	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_111	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_111	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_111	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_111	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_111	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_111	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_111	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_111	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_111	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_111	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_111	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_111	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_111	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_111	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_111	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_111	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_111	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_111	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_111	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_111	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_111	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_111	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_111	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_111	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_111	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_111	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_111	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_111	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_111	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_111	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_111	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_111	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_111	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_111	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_111	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_111	C[As](=O)(C)O	C75605
MACCS_111	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_111	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_111	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_111	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_111	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_111	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_111	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_111	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_111	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_111	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_111	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_111	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_111	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_111	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_111	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_111	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_111	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_111	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_111	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_111	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_111	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_111	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_111	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_111	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_111	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_111	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_111	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_111	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_111	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_111	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_111	ClCCP(=O)(O)O	C16672870
MACCS_111	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_111	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_111	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_111	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_111	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_111	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_111	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_111	NP(=O)(OC)SC	C10265926
MACCS_111	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_111	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_111	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_111	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_111	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_111	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_111	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_111	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_111	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_111	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_111	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_111	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_111	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_111	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_111	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_111	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_111	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_111	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_111	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_111	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_111	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_111	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_111	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_111	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_111	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_111	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_111	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_111	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_111	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_111	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_111	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_111	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_111	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_111	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_111	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_111	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_111	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_111	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_111	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_111	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_111	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_111	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_111	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_111	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_111	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_111	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_111	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_111	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_111	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_111	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_111	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_111	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_111	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_111	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_111	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_111	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_111	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_111	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_111	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_111	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_111	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_111	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_111	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_111	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_111	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_111	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_111	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_111	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_111	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_111	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_111	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_111	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_111	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_111	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_111	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_111	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_111	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_111	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_111	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_111	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_111	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_111	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_111	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_111	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_111	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_111	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_111	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_111	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_111	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_111	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_111	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_111	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_111	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_111	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_111	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_111	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_111	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_111	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_111	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_111	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_111	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_111	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_111	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_111	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_111	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_111	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_111	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_111	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_111	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_111	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_111	OCC(CO)(CBr)CBr	C3296900
MACCS_111	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_111	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_111	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_111	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_111	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_111	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_111	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_111	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_111	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_111	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_111	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_111	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_111	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_111	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_111	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_111	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_111	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_111	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_111	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_111	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_111	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_111	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_111	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_111	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_111	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_111	CS(=O)(=O)OC	C66273
MACCS_111	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_111	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_111	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_111	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_111	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_111	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_111	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_111	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_111	O=S1(=O)CCCO1	C1120714
MACCS_111	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_111	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_111	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_111	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_111	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_111	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_111	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_111	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_111	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_111	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_111	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_111	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_111	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_111	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_111	CC(Cl)(Cl)C(=O)O	C75990
MACCS_111	CC1(C)NC(=O)NC1=O	C77714
MACCS_111	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_111	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_111	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_111	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_111	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_111	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_111	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_111	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_111	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_111	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_111	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_111	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_111	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_111	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_111	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_111	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_111	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_111	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_111	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_111	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_111	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_111	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_111	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_111	O=S(=O)(OCC)OCC	C64675
MACCS_111	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_111	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_111	O=S(=O)(OC)OC	C77781
MACCS_111	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_111	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_111	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_111	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_111	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_111	ON=CC(C)(C)SC	C1646759
MACCS_111	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_111	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_111	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_111	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_111	O(O)C(c1ccccc1)(C)C	C80159
MACCS_111	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_111	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_111	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_111	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_111	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_111	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_111	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_111	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_111	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_111	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_111	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_111	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_111	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_111	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_111	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_111	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_111	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_111	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_111	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_111	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_111	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_111	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_111	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_111	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_111	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_111	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_111	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_111	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_111	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_111	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_111	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_111	CCC12N(COC1)COC2	C7747355
MACCS_111	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_111	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_111	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_111	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_111	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_111	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_111	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_111	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_111	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_111	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_111	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_111	S=P(OCC)(OCC)SCSCC	C298022
MACCS_111	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_111	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_111	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_111	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_111	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_111	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_111	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_111	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_111	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_111	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_111	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_111	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_111	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_111	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_111	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_111	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_111	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_111	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_111	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_111	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_111	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_111	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_111	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_111	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_111	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_111	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_111	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_111	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_111	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_111	CC(C)(C)c1ccccc1	C98066
MACCS_111	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_111	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_111	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_111	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_111	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_111	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_111	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_111	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_111	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_111	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_111	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_111	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_111	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_111	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_111	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_111	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_111	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_111	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_111	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_111	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_111	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_111	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_111	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_111	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_111	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_111	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_111	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_111	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_111	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_111	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_111	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_111	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_111	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_111	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_111	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_111	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_111	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_111	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_111	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_111	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_111	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_111	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_111	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_111	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_111	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_111	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_111	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_111	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_111	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_111	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_111	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_111	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_111	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_111	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_111	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_111	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_111	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_111	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_111	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_111	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_111	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_111	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_111	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_111	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_111	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_111	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_111	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_111	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_111	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_111	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_111	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_111	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_111	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_111	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_111	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_111	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_111	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_111	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_111	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_111	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_111	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_111	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_111	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_111	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_111	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_111	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_111	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_111	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_111	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_111	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_111	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_111	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_111	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_111	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_111	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_111	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_111	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_111	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_111	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_111	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_111	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_111	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_111	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_111	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_111	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_111	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_111	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_111	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_111	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_111	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_111	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_111	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_111	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_111	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_111	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_111	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_111	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_111	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_111	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_111	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_111	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_111	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_111	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_111	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_111	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_111	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_111	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_111	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_111	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_111	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_111	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_111	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_111	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_111	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_111	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_111	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_111	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_111	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_111	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_111	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_111	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_111	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_111	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_111	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_111	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_111	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_111	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_111	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_111	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_111	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_111	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_111	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_111	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_111	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_111	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_111	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_111	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_111	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_111	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_111	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_111	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_111	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_111	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_111	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_111	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_111	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_111	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_111	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_111	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_111	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_111	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_111	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_111	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_111	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_111	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_111	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_111	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_111	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_111	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_111	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_111	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_111	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_111	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_111	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_111	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_111	Br[Sn](CC)(CC)CC	C2767546
MACCS_111	O=P(OCCCC)(O)OCCCC	C107664
MACCS_111	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_111	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_111	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_111	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_111	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_111	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_111	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_111	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_111	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_111	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_111	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_111	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_111	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_111	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_111	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_111	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_111	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_111	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_111	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_111	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_111	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_111	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_111	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_111	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_111	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_111	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_111	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_111	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_111	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_111	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_111	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_111	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_111	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_111	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_111	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_111	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_111	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_111	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_111	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_111	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_111	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_111	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_111	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_111	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_111	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_111	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_111	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_111	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_111	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_111	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_111	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_111	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_111	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_111	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_111	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_111	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_111	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_111	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_111	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_111	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_111	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_111	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_111	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_111	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_111	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_111	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_111	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_111	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_111	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_112	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_112	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_112	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_112	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_112	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_112	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_112	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_112	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_112	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_112	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_112	C=CCc1ccc(cc1)OC	C140670
MACCS_112	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_112	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_112	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_112	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_112	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_112	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_112	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_112	COc1ccc(cc1)O	C150765
MACCS_112	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_112	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_112	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_112	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_112	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_112	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_112	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_112	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_112	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_112	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_112	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_112	c1(O)ccccc1C(=O)N	C65452
MACCS_112	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_112	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_112	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_112	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_112	O=Cc1ccccc1O	C90028
MACCS_112	Oc1cccc2ccccc12	C90153
MACCS_112	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_112	c1ccccc1Oc1ccccc1	C101848
MACCS_112	Oc1ccc(Cl)cc1	C106489
MACCS_112	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_112	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_112	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_112	Oc1ccc(CC)cc1	C123079
MACCS_112	COc1ccc(OC)cc1	C150787
MACCS_112	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_112	Oc1ccc(CCC)cc1	C645567
MACCS_112	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_112	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_112	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_112	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_112	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_112	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_112	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_112	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_112	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_112	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_112	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_112	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_112	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_112	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_112	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_112	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_112	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_112	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_112	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_112	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_112	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_112	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_112	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_112	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_112	c1(c(CC)cccc1)O	C90006
MACCS_112	c1c(O)cccc1CC	C620177
MACCS_112	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_112	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_112	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_112	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_112	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_112	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_112	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_112	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_112	c1cccc(OC)c1O	C90051
MACCS_112	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_112	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_112	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_112	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_112	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_112	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_112	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_112	Cc1cc(O)ccc1	C108394
MACCS_112	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_112	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_112	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_112	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_112	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_112	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_112	Oc1cc(Cl)ccc1Cl	C583788
MACCS_112	N(C)(C)c1cccc(O)c1	C99070
MACCS_112	Cc1c(C)cccc1O	C526750
MACCS_112	Cc1cc(C)cc(O)c1	C108689
MACCS_112	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_112	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_112	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_112	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_112	O(c1ccc(N)cc1)CC	C156434
MACCS_112	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_112	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_112	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_112	O=C(O)c1ccccc1O	C69727
MACCS_112	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_112	O=C(O)c1ccc(O)cc1	C99967
MACCS_112	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_112	O=Cc1ccc(OC)cc1	C123115
MACCS_112	Oc1ccc2ccccc2c1	C135193
MACCS_112	[O-]c1ccccc1.[Na+]	C139026
MACCS_112	OC(C)COc1ccccc1	C770354
MACCS_112	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_112	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_112	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_112	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_112	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_112	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_112	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_112	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_112	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_112	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_112	O=C(c1ccc(O)cc1)C	C99934
MACCS_112	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_112	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_112	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_112	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_112	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_112	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_112	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_112	Clc1c(Cl)ssc1=O	C1192525
MACCS_112	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_112	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_112	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_112	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_112	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_112	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_112	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_112	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_112	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_112	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_112	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_112	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_112	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_112	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_112	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_112	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_112	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_112	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_112	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_112	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_112	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_112	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_112	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_112	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_112	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_112	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_112	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_112	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_112	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_112	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_112	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_112	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_112	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_112	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_112	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_112	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_112	O=C(c1ccccc1O)C	C118934
MACCS_112	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_112	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_112	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_112	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_112	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_112	Oc1ccccc1CN(C)C	C120650
MACCS_112	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_112	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_112	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_112	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_112	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_112	O=c1ccoc(CC)c1O	C4940118
MACCS_112	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_112	N#Cc1c(O)cccc1	C611201
MACCS_112	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_112	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_112	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_112	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_112	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_112	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_112	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_112	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_112	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_112	Oc1cc(C(C)C)ccc1C	C499752
MACCS_112	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_112	Oc1c(OCC)cccc1	C94713
MACCS_112	Oc1ccc(C(C)C)cc1	C99898
MACCS_112	COc1ccc(CCC)cc1	C104450
MACCS_112	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_112	Oc1c(C(C)C)cccc1	C88697
MACCS_112	Oc1cc(C(C)C)ccc1	C618451
MACCS_112	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_112	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_112	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_112	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_112	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_112	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_112	Oc1ccc(CCCC)cc1	C1638228
MACCS_112	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_112	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_112	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_112	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_112	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_112	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_112	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_112	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_112	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_112	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_112	Nc1ccc(cc1)OCCCC	C4344552
MACCS_112	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_112	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_112	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_112	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_112	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_112	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_112	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_112	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_112	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_112	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_112	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_112	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_112	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_112	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_112	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_112	Oc1c(cccc1)c1ccccc1	C90437
MACCS_112	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_112	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_112	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_112	c1ccccc1OCCO	C122996
MACCS_112	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_112	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_112	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_112	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_112	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_112	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_112	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_112	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_112	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_112	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_112	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_112	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_112	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_112	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_112	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_112	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_112	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_112	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_112	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_112	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_112	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_112	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_112	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_112	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_112	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_112	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_112	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_112	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_112	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_112	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_112	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_112	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_112	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_112	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_112	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_112	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_112	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_112	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_112	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_112	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_112	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_112	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_112	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_112	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_112	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_112	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_112	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_112	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_112	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_112	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_112	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_112	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_112	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_112	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_112	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_112	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_112	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_112	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_112	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_112	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_112	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_112	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_112	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_112	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_112	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_112	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_112	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_112	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_112	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_112	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_112	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_112	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_112	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_112	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_112	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_112	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_112	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_112	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_112	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_112	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_112	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_112	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_112	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_112	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_112	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_112	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_112	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_112	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_112	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_112	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_112	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_112	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_112	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_112	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_112	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_112	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_112	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_112	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_112	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_112	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_112	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_112	Oc1c(cccc1)O	C120809
MACCS_112	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_112	O=c1oc2c(cccc2)cc1	C91645
MACCS_112	Nc1cc(ccc1OC)C	C120718
MACCS_112	Clc1c(ccc(c1)Cl)O	C120832
MACCS_112	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_112	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_112	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_112	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_112	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_112	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_112	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_112	Oc1ccc(cc1)O	C123319
MACCS_112	Oc1cccc2cccnc12	C148243
MACCS_112	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_112	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_112	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_112	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_112	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_112	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_112	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_112	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_112	Oc1ccccc1	C108952
MACCS_112	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_112	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_112	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_112	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_112	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_112	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_112	Oc1cc(ccc1)O	C108463
MACCS_112	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_112	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_112	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_112	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_112	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_112	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_112	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_112	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_112	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_112	Oc1ccccc1Cl	C95578
MACCS_112	Oc1cc(C)c(Cl)cc1	C59507
MACCS_112	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_112	Oc1c(C)cccc1	C95487
MACCS_112	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_112	Oc1c(C)cc(C)cc1	C105679
MACCS_112	Oc1ccc(C)cc1	C106445
MACCS_112	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_112	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_112	Oc1c(C)cc(C)cc1C	C527606
MACCS_112	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_112	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_112	Oc1c(C)c(C)ccc1C	C2416946
MACCS_112	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_112	c1(c(O)cccc1)C(CC)C	C89725
MACCS_112	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_112	Oc1ccc(C=CC)cc1OC	C97541
MACCS_112	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_112	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_112	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_112	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_112	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_112	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_112	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_112	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_112	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_112	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_112	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_112	Nc1c(OC)cccc1	C90040
MACCS_112	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_112	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_112	Oc1cc(C)c(C)cc1	C95658
MACCS_112	Oc1c(cccc1C)C	C576261
MACCS_112	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_112	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_112	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_112	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_112	Oc1c(ccc(N)c1)C	C2835952
MACCS_112	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_112	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_112	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_112	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_112	Oc1c(ccc(C)c1)C	C95874
MACCS_112	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_112	o1c(C)c(O)c(=O)cc1	C118718
MACCS_112	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_112	O=C(OC)c1c(O)cccc1	C119368
MACCS_112	O=c1ccsn1CCCCCCCC	C26530201
MACCS_112	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_112	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_112	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_112	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_112	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_112	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_112	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_112	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_112	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_112	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_112	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_112	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_112	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_112	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_112	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_112	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_112	O=c1[nH]sc2c1cccc2	C2634335
MACCS_112	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_112	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_112	O=c1n(C)sc(Cl)c1	C26172554
MACCS_112	Oc1cc(C)ccc1C(C)C	C89838
MACCS_112	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_112	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_112	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_112	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_112	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_112	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_112	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_112	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_112	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_112	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_112	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_112	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_112	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_112	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_112	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_112	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_112	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_112	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_112	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_112	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_112	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_112	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_112	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_112	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_112	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_112	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_112	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_112	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_112	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_112	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_112	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_112	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_112	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_112	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_112	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_112	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_112	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_112	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_112	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_112	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_112	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_112	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_112	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_112	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_112	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_112	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_112	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_112	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_112	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_112	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_112	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_112	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_112	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_112	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_112	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_112	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_112	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_112	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_112	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_112	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_112	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_112	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_112	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_112	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_112	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_112	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_112	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_112	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_112	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_112	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_112	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_112	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_112	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_112	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_112	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_112	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_112	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_112	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_112	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_112	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_112	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_112	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_112	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_112	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_112	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_112	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_112	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_112	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_112	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_112	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_112	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_112	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_112	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_112	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_112	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_112	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_112	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_112	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_112	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_112	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_112	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_112	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_112	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_112	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_112	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_112	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_112	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_112	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_112	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_112	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_112	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_112	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_112	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_112	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_112	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_112	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_112	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_112	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_112	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_112	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_112	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_112	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_112	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_112	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_112	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_112	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_112	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_112	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_112	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_112	Nc1ccc(OC)cc1	C104949
MACCS_112	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_112	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_112	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_112	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_112	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_112	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_112	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_112	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_112	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_112	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_112	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_112	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_112	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_112	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_112	O=c1cc(C)o[nH]1	C10004441
MACCS_112	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_112	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_112	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_112	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_112	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_112	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_112	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_112	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_112	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_112	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_112	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_112	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_112	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_112	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_112	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_112	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_112	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_112	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_112	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_112	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_112	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_112	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_112	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_112	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_112	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_112	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_112	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_112	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_112	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_112	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_112	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_112	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_112	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_112	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_112	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_112	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_112	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_112	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_112	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_112	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_112	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_112	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_112	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_112	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_112	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_112	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_112	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_112	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_112	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_112	CC1COc2ccccc2N1	C32329207
MACCS_112	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_112	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_112	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_112	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_112	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_112	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_112	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_112	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_112	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_112	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_112	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_112	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_112	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_112	O=COCc1ccc(OC)cc1	C122918
MACCS_113	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_113	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_113	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_113	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_113	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_113	S=C(NCC)NCC	C105555
MACCS_113	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_113	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_113	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_113	O=[N+](CC)[O-]	C79243
MACCS_113	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_113	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_113	OCCOCCOCCOCCCC	C143226
MACCS_113	CCCCCCCCCC=O	C112312
MACCS_113	CCCCCCCCCCCC(=O)O	C143077
MACCS_113	O=CCCCCCC	C111717
MACCS_113	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_113	CCCCCCCCC=O	C124196
MACCS_113	OC(=O)CCCC	C109524
MACCS_113	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_113	OCCC	C71238
MACCS_113	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_113	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_113	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_113	Nc1ccc(CCCC)cc1	C104132
MACCS_113	CCOC(=O)CC(=O)OCC	C105533
MACCS_113	CCCC(=O)C	C107879
MACCS_113	CCCCCC(=O)C	C110430
MACCS_113	CCNCCO	C110736
MACCS_113	CCCCCCO	C111273
MACCS_113	CCCCCCCO	C111706
MACCS_113	CCCCCCCCCC(=O)C	C112129
MACCS_113	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_113	Oc1ccc(CC)cc1	C123079
MACCS_113	CCCCCC(=O)OCC	C123660
MACCS_113	CCCCCCCCCCCCN	C124221
MACCS_113	CCCCCCCCCO	C143088
MACCS_113	Oc1ccc(CCC)cc1	C645567
MACCS_113	CCCCCCC1OC(=O)CC1	C706149
MACCS_113	CC/C=C\CCO	C928961
MACCS_113	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_113	CCCCCCCCCCN	C2016571
MACCS_113	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_113	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_113	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_113	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_113	c1(c(CC)cccc1)O	C90006
MACCS_113	c1c(O)cccc1CC	C620177
MACCS_113	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_113	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_113	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_113	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_113	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_113	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_113	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_113	ON=CCCC	C110690
MACCS_113	O=C(OCCCC)C=C	C141322
MACCS_113	C(OCCCC)C1CO1	C2426086
MACCS_113	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_113	C(CCCCCC)CCCCCS	C112550
MACCS_113	O=C(OCC)c1c(N)cccc1	C87252
MACCS_113	C(CC)(C=O)CCCC	C123057
MACCS_113	OCC(C(O)CCC)CC	C94962
MACCS_113	CCC(=CCCC)C=O	C645625
MACCS_113	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_113	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_113	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_113	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_113	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_113	C(CCCCCCC)C	C111842
MACCS_113	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_113	O(c1ccc(N)cc1)CC	C156434
MACCS_113	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_113	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_113	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_113	O=P(OCC)(OCC)OCC	C78400
MACCS_113	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_113	O=C(C)OCC(CC)CCCC	C103093
MACCS_113	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_113	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_113	O=C(OC)CCCCCCCCC	C110429
MACCS_113	O=C(C)OCCOCCCC	C112072
MACCS_113	CCCCCCCCCCCCN(C)C	C112185
MACCS_113	OC(CCCCCC)C	C123966
MACCS_113	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_113	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_113	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_113	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_113	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_113	O=C(N(C)C)CCCCCCC	C1118929
MACCS_113	OCCOCCOCCOCCOCCCC	C1559348
MACCS_113	OCCOCCC	C2807309
MACCS_113	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_113	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_113	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_113	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_113	Nc1c(C)cccc1CC	C24549062
MACCS_113	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_113	SC(C)(C)CCCCCC	C25360105
MACCS_113	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_113	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_113	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_113	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_113	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_113	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_113	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_113	OC(CCCC(C)C)(C)CC	C78693
MACCS_113	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_113	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_113	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_113	OC(C)COCCC	C1569013
MACCS_113	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_113	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_113	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_113	OCC(CCC)CCCCC	C10042598
MACCS_113	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_113	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_113	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_113	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_113	OC(OCCCC)CC	C29387868
MACCS_113	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_113	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_113	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_113	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_113	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_113	OCCSCCCCCCCC	C3547339
MACCS_113	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_113	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_113	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_113	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_113	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_113	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_113	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_113	O=C1OC(CCCCC)CC1	C104610
MACCS_113	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_113	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_113	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_113	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_113	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_113	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_113	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_113	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_113	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_113	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_113	OC(CCCCC)C=C	C3391864
MACCS_113	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_113	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_113	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_113	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_113	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_113	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_113	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_113	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_113	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_113	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_113	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_113	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_113	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_113	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_113	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_113	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_113	O=C(CC)OCC	C105373
MACCS_113	O=C1OCC(CC)O1	C4437858
MACCS_113	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_113	Nc1ccc(CCCCC)cc1	C33228443
MACCS_113	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_113	O=C(OCC)c1c(C)cccc1	C87241
MACCS_113	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_113	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_113	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_113	CC(O)COCC	C1569024
MACCS_113	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_113	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_113	O=C1CCC(O1)CC	C695067
MACCS_113	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_113	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_113	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_113	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_113	O=C/C=C/CCC	C6728263
MACCS_113	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_113	O=C(C)OCC/C=C\CC	C3681718
MACCS_113	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_113	CCC(c1ccccc1)CCC	C4468422
MACCS_113	O=CCC/C=C\CCCCC	C21662099
MACCS_113	O=c1ccoc(CC)c1O	C4940118
MACCS_113	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_113	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_113	O=C(CCC)OCCCCC	C540181
MACCS_113	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_113	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_113	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_113	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_113	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_113	OP(OCC)OCC	C762049
MACCS_113	OCCOCC(CC)CCCC	C1559359
MACCS_113	O=C(CC)CCCCC	C106683
MACCS_113	OCCN(CC)CCO	C139877
MACCS_113	CCOC(OCC)OCC	C122510
MACCS_113	CCO[Si](OCC)(OCC)CC	C78079
MACCS_113	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_113	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_113	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_113	O=C(CCC)OCCCCCCC	C5870939
MACCS_113	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_113	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_113	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_113	OC(C)C(=O)OCCCC	C138227
MACCS_113	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_113	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_113	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_113	Oc1c(OCC)cccc1	C94713
MACCS_113	COc1ccc(CCC)cc1	C104450
MACCS_113	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_113	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_113	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_113	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_113	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_113	CCO[Si](OCC)(C)OCC	C2031676
MACCS_113	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_113	CO[Si](OC)(CCC)OC	C1067250
MACCS_113	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_113	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_113	O=C(C)OCCCCCCCC	C112141
MACCS_113	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_113	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_113	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_113	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_113	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_113	OCC(CCCC)CCCCCC	C3913028
MACCS_113	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_113	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_113	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_113	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_113	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_113	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_113	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_113	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_113	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_113	Oc1ccc(CCCC)cc1	C1638228
MACCS_113	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_113	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_113	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_113	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_113	O=C1OC(CCC)CC1	C105215
MACCS_113	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_113	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_113	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_113	Nc1ccc(CCC)cc1	C2696846
MACCS_113	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_113	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_113	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_113	Clc1ccc(CCCC)cc1	C15499271
MACCS_113	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_113	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_113	O=C1CCC(CCC)CC1	C40649363
MACCS_113	Nc1ccc(cc1)OCCCC	C4344552
MACCS_113	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_113	OC1CCC(CCCC)CC1	C70568604
MACCS_113	Clc1ccc(CCCCC)cc1	C79098207
MACCS_113	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_113	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_113	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_113	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_113	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_113	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_113	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_113	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_113	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_113	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_113	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_113	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_113	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_113	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_113	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_113	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_113	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_113	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_113	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_113	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_113	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_113	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_113	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_113	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_113	CCCN(CCC)C(=O)SCC	C759944
MACCS_113	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_113	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_113	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_113	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_113	O=C(SCC)N1CCCCCC1	C2212671
MACCS_113	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_113	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_113	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_113	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_113	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_113	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_113	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_113	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_113	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_113	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_113	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_113	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_113	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_113	O=C(NCCCC)OCC#CI	C55406536
MACCS_113	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_113	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_113	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_113	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_113	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_113	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_113	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_113	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_113	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_113	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_113	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_113	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_113	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_113	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_113	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_113	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_113	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_113	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_113	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_113	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_113	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_113	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_113	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_113	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_113	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_113	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_113	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_113	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_113	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_113	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_113	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_113	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_113	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_113	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_113	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_113	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_113	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_113	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_113	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_113	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_113	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_113	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_113	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_113	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_113	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_113	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_113	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_113	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_113	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_113	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_113	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_113	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_113	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_113	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_113	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_113	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_113	CCC(CCCC)CO	C104767
MACCS_113	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_113	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_113	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_113	O=NN(CCCC)CCCC	C924163
MACCS_113	CCN(CC)N=O	C55185
MACCS_113	O=NN(CCC)CCC	C621647
MACCS_113	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_113	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_113	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_113	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_113	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_113	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_113	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_113	NC(=O)OCC	C51796
MACCS_113	OC(=O)CCC	C107926
MACCS_113	CCCCOCCOCCO	C112345
MACCS_113	CCCCCCCCCC(=O)O	C334485
MACCS_113	O=C(O)CCCCCC	C111148
MACCS_113	CCCCCC(=O)O	C142621
MACCS_113	CCCCCCCCC(=O)O	C112050
MACCS_113	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_113	CCCCCCCC=O	C124130
MACCS_113	CCCCCCCC(=O)O	C124072
MACCS_113	CCCCC=O	C110623
MACCS_113	CCCCCCCCCCC	C1120214
MACCS_113	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_113	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_113	CCN(CC)c1ccccc1	C91667
MACCS_113	CCC(=NO)C	C96297
MACCS_113	CCN(CCO)CC	C100378
MACCS_113	CCNc1cc(C)ccc1	C102272
MACCS_113	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_113	CC(=O)OCCOCC	C111159
MACCS_113	CCCCCCCCO	C111875
MACCS_113	CCOCCOCCO	C111900
MACCS_113	CCCCCCCCCCO	C112301
MACCS_113	CCCCCCCCCCCCCO	C112709
MACCS_113	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_113	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_113	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_113	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_113	c1(c(O)cccc1)C(CC)C	C89725
MACCS_113	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_113	c1(CCCC)ccccc1	C104518
MACCS_113	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_113	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_113	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_113	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_113	C(=O)(O)C(CCC)CCC	C99661
MACCS_113	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_113	O=S(=O)(OCC)OCC	C64675
MACCS_113	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_113	CCOCCO	C110805
MACCS_113	CCCCOCCO	C111762
MACCS_113	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_113	OCCOCCOCCOCC	C112505
MACCS_113	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_113	C(CCCCCCCC)C	C124185
MACCS_113	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_113	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_113	N(c1ccccc1)CC	C103695
MACCS_113	O=C(O)C(CCCC)CC	C149575
MACCS_113	O=c1ccsn1CCCCCCCC	C26530201
MACCS_113	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_113	N(CCCC)(CCCC)CCCC	C102829
MACCS_113	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_113	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_113	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_113	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_113	O=C(OC)CCCCCCC	C111115
MACCS_113	O=C(OC)CCCCCCCCCCC	C111820
MACCS_113	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_113	OCCOCCCCCC	C112254
MACCS_113	OCCCCCCCCCCC	C112425
MACCS_113	OCCCCCCCCCCCC	C112538
MACCS_113	OCCCCCCCCCCCCCC	C112721
MACCS_113	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_113	CCCCCCCCCCCCCCCC	C544763
MACCS_113	Nc1c(CC)cccc1CC	C579668
MACCS_113	O=C(C)OCCCCC	C628637
MACCS_113	CCCCCCCCCCCCCCC	C629629
MACCS_113	OCCCCCCCCCCCCCCC	C629765
MACCS_113	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_113	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_113	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_113	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_113	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_113	OC(OC(O)CC)CC	C25265718
MACCS_113	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_113	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_113	OC(OCCCOC)CC	C34590948
MACCS_113	OCCCCCCCCCCCCCCCC	C36653824
MACCS_113	CCC12N(COC1)COC2	C7747355
MACCS_113	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_113	S=P(OCC)(OCC)SCSCC	C298022
MACCS_113	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_113	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_113	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_113	O=C1CCC(O1)CCCCCCC	C104676
MACCS_113	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_113	CCCCCCCCN(C)C	C7378996
MACCS_113	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_113	O=C(OCC)CCC(=O)OCC	C123251
MACCS_113	O=C(CCC)OCC	C105544
MACCS_113	O=C(OCC)CCCCCC	C106309
MACCS_113	O=C(OCCCC)c1ccccc1	C136607
MACCS_113	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_113	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_113	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_113	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_113	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_113	O=C(CCC)OCCC(C)C	C106274
MACCS_113	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_113	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_113	CCCc1ccccc1	C103651
MACCS_113	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_113	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_113	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_113	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_113	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_113	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_113	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_113	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_113	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_113	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_113	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_113	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_113	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_113	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_113	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_113	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_113	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_113	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_113	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_113	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_113	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_113	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_113	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_113	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_113	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_113	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_113	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_113	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_113	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_113	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_113	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_113	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_113	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_113	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_113	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_113	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_113	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_113	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_113	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_113	C=CCCCCCCCCCCCC	C1120361
MACCS_113	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_113	OC(C(CC)CCCC)C#C	C5877429
MACCS_113	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_113	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_113	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_113	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_113	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_113	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_113	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_113	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_113	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_113	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_113	S=C(NCCCC)NCCCC	C109466
MACCS_113	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_113	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_113	O=COCC	C109944
MACCS_113	O=C(OCC)c1ccccc1	C93890
MACCS_113	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_113	CCN(CC)CC	C121448
MACCS_113	CC(=O)OCC	C141786
MACCS_113	CC(=O)OCCCC	C123864
MACCS_113	CCCCCC=O	C66251
MACCS_113	CCCC=O	C123728
MACCS_113	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_113	CCC1CO1	C106887
MACCS_113	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_113	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_113	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_113	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_113	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_113	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_113	O=CC=CC=CCCCCC	C25152845
MACCS_113	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_113	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_113	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_113	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_113	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_113	ClC(=O)C(CC)CCCC	C760678
MACCS_113	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_113	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_113	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_113	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_113	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_113	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_113	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_113	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_113	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_113	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_113	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_113	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_113	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_113	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_113	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_113	Br[Sn](CC)(CC)CC	C2767546
MACCS_113	O=P(OCCCC)(O)OCCCC	C107664
MACCS_113	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_113	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_113	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_113	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_113	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_113	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_113	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_113	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_113	N#CSCCCCCCCCCCCC	C765151
MACCS_113	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_113	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_113	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_113	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_113	CCCCCCCCCCCCN.Cl	C929737
MACCS_113	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_113	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_113	BrCCCCCCCCCCCC	C143157
MACCS_113	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_113	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_113	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_113	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_113	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_113	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_113	NCCCOCCCCCCCC	C15930662
MACCS_113	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_113	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_113	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_113	O=C/C=C/CCCCCCC	C3913813
MACCS_113	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_113	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_113	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_113	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_113	CC/C=C\CCOC(OCC)C	C28069741
MACCS_113	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_113	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_113	CCCCCCCCCC(C)C=O	C110418
MACCS_113	CCCCCc1ccco1	C3777693
MACCS_113	CCC(=O)C(=O)CC	C4437518
MACCS_113	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_114	CC(CNCC(C)O)O	C110974
MACCS_114	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_114	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_114	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_114	ClCOC	C107302
MACCS_114	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_114	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_114	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_114	CN(CCO)C	C108010
MACCS_114	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_114	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_114	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_114	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_114	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_114	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_114	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_114	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_114	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_114	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_114	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_114	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_114	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_114	OCCOCCOCCOCCCC	C143226
MACCS_114	CCCCCCCCCC=O	C112312
MACCS_114	CCCCCCCCCCCC(=O)O	C143077
MACCS_114	O=CCCCCCC	C111717
MACCS_114	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_114	CCCCCCCCC=O	C124196
MACCS_114	OC(=O)CCCC	C109524
MACCS_114	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_114	OCCC	C71238
MACCS_114	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_114	OC(C)CN	C78966
MACCS_114	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_114	Nc1ccc(CCCC)cc1	C104132
MACCS_114	CC(O)CC(C)(C)O	C107415
MACCS_114	CCCC(=O)C	C107879
MACCS_114	CCCCCC(=O)C	C110430
MACCS_114	CCCCCCO	C111273
MACCS_114	CCCCCCCO	C111706
MACCS_114	CCCCCCCCCC(=O)C	C112129
MACCS_114	CCCCCC(=O)OCC	C123660
MACCS_114	CCCCCCCCCCCCN	C124221
MACCS_114	CCCCCCCCCO	C143088
MACCS_114	Oc1ccc(CCC)cc1	C645567
MACCS_114	CCCCCCC1OC(=O)CC1	C706149
MACCS_114	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_114	CCCCCCCCCCN	C2016571
MACCS_114	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_114	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_114	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_114	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_114	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_114	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_114	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_114	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_114	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_114	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_114	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_114	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_114	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_114	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_114	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_114	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_114	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_114	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_114	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_114	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_114	CC(O)COC	C107982
MACCS_114	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_114	ON=CCCC	C110690
MACCS_114	O=C(OCCCC)C=C	C141322
MACCS_114	C(OCCCC)C1CO1	C2426086
MACCS_114	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_114	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_114	C(C(=O)C)C(C)(C)O	C123422
MACCS_114	O=C(CC(C)C)CC(C)C	C108838
MACCS_114	N(CCCN)(C)C	C109557
MACCS_114	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_114	C(CCCCCC)CCCCCS	C112550
MACCS_114	C(CC)(C=O)CCCC	C123057
MACCS_114	OCC(C(O)CCC)CC	C94962
MACCS_114	CCC(=CCCC)C=O	C645625
MACCS_114	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_114	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_114	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_114	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_114	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_114	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_114	N#CC(CCC#N)C	C4553622
MACCS_114	C(CCCCCCC)C	C111842
MACCS_114	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_114	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_114	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_114	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_114	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_114	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_114	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_114	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_114	O=C(C)OCC(CC)CCCC	C103093
MACCS_114	O=C1OCC(C)O1	C108327
MACCS_114	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_114	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_114	O=C(OC)CCCCCCCCC	C110429
MACCS_114	O=C(C)OCCOCCCC	C112072
MACCS_114	CCCCCCCCCCCCN(C)C	C112185
MACCS_114	OCCOCCOCCOC	C112356
MACCS_114	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_114	OC(CCCCCC)C	C123966
MACCS_114	OCC(N)(C)C	C124685
MACCS_114	OCC(C)(C)CO	C126307
MACCS_114	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_114	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_114	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_114	CC1=CCC(=C(C)C)CC1	C586629
MACCS_114	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_114	OC(C)COc1ccccc1	C770354
MACCS_114	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_114	O=C(N(C)C)CCCCCCC	C1118929
MACCS_114	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_114	OCCOCCOCCOCCOCCCC	C1559348
MACCS_114	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_114	O=C(N(C)C)CC(=O)C	C2044646
MACCS_114	OCCOCCC	C2807309
MACCS_114	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_114	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_114	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_114	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_114	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_114	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_114	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_114	CC(CO)O	C25322694
MACCS_114	SC(C)(C)CCCCCC	C25360105
MACCS_114	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_114	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_114	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_114	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_114	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_114	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_114	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_114	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_114	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_114	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_114	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_114	OC(CCCC(C)C)(C)CC	C78693
MACCS_114	CN1CCOCC1	C109024
MACCS_114	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_114	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_114	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_114	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_114	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_114	OC(C)COCCC	C1569013
MACCS_114	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_114	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_114	OCC(CCC)CCCCC	C10042598
MACCS_114	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_114	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_114	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_114	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_114	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_114	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_114	CC(=C)C1CC=C(C)CC1	C138863
MACCS_114	OC1CC(CCC1C(C)C)C	C1490046
MACCS_114	OCCC(C)CC(C)(C)C	C3452979
MACCS_114	OC(OCCCC)CC	C29387868
MACCS_114	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_114	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_114	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_114	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_114	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_114	OCCSCCCCCCCC	C3547339
MACCS_114	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_114	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_114	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_114	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_114	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_114	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_114	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_114	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_114	O=C1OC(CCCCC)CC1	C104610
MACCS_114	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_114	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_114	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_114	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_114	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_114	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_114	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_114	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_114	OC(CCCCC)C=C	C3391864
MACCS_114	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_114	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_114	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_114	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_114	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_114	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_114	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_114	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_114	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_114	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_114	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_114	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_114	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_114	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_114	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_114	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_114	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_114	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_114	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_114	Nc1ccc(CCCCC)cc1	C33228443
MACCS_114	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_114	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_114	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_114	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_114	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_114	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_114	CC(C)C1=CCC(=CC1)C	C99854
MACCS_114	CC1=CC=C(C(C)C)CC1	C99865
MACCS_114	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_114	CC(O)COCC	C1569024
MACCS_114	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_114	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_114	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_114	Oc1ccccc1CN(C)C	C120650
MACCS_114	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_114	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_114	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_114	OC(CCCC(C)C)(C)C	C13254347
MACCS_114	O=C/C=C/CCC	C6728263
MACCS_114	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_114	OC(CC(C)C)(C)C#C	C107540
MACCS_114	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_114	CCC(c1ccccc1)CCC	C4468422
MACCS_114	O=CCC/C=C\CCCCC	C21662099
MACCS_114	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_114	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_114	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_114	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_114	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_114	O=C(CCC)OCCCCC	C540181
MACCS_114	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_114	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_114	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_114	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_114	OC1CC(C)(C)CC(C)C1	C116029
MACCS_114	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_114	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_114	OCCOCC(CC)CCCC	C1559359
MACCS_114	O=C(CC)CCCCC	C106683
MACCS_114	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_114	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_114	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_114	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_114	O=C(CCC)OCCCCCCC	C5870939
MACCS_114	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_114	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_114	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_114	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_114	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_114	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_114	OC(C)C(=O)OCCCC	C138227
MACCS_114	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_114	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_114	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_114	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_114	COc1ccc(CCC)cc1	C104450
MACCS_114	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_114	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_114	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_114	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_114	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_114	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_114	CO[Si](OC)(CCC)OC	C1067250
MACCS_114	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_114	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_114	O=C(C)OCCCCCCCC	C112141
MACCS_114	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_114	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_114	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_114	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_114	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_114	OCC(CCCC)CCCCCC	C3913028
MACCS_114	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_114	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_114	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_114	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_114	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_114	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_114	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_114	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_114	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_114	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_114	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_114	Oc1ccc(CCCC)cc1	C1638228
MACCS_114	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_114	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_114	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_114	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_114	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_114	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_114	OCCOCC(C)OCCO	C9003116
MACCS_114	O=C1OC(CCC)CC1	C105215
MACCS_114	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_114	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_114	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_114	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_114	Nc1ccc(CCC)cc1	C2696846
MACCS_114	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_114	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_114	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_114	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_114	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_114	Clc1ccc(CCCC)cc1	C15499271
MACCS_114	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_114	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_114	O=C1CCC(CCC)CC1	C40649363
MACCS_114	Nc1ccc(cc1)OCCCC	C4344552
MACCS_114	OC1CCC(CCCC)CC1	C70568604
MACCS_114	Clc1ccc(CCCCC)cc1	C79098207
MACCS_114	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_114	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_114	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_114	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_114	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_114	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_114	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_114	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_114	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_114	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_114	CCCN(CCC)C(=O)SCC	C759944
MACCS_114	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_114	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_114	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_114	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_114	OCCOC	C109864
MACCS_114	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_114	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_114	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_114	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_114	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_114	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_114	CN1CN(C)CSC1=S	C533744
MACCS_114	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_114	O=C(NCCCC)OCC#CI	C55406536
MACCS_114	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_114	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_114	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_114	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_114	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_114	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_114	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_114	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_114	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_114	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_114	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_114	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_114	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_114	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_114	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_114	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_114	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_114	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_114	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_114	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_114	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_114	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_114	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_114	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_114	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_114	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_114	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_114	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_114	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_114	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_114	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_114	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_114	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_114	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_114	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_114	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_114	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_114	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_114	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_114	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_114	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_114	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_114	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_114	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_114	CCC(CCCC)CO	C104767
MACCS_114	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_114	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_114	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_114	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_114	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_114	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_114	O=C1N(CCC1)C	C872504
MACCS_114	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_114	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_114	O=NN(CCCC)CCCC	C924163
MACCS_114	O=NN(CCC)CCC	C621647
MACCS_114	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_114	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_114	CC(CO)O	C57556
MACCS_114	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_114	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_114	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_114	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_114	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_114	OC(=O)CCC	C107926
MACCS_114	CCCCOCCOCCO	C112345
MACCS_114	CCCCCCCCCC(=O)O	C334485
MACCS_114	O=C(O)CCCCCC	C111148
MACCS_114	CCCCCC(=O)O	C142621
MACCS_114	CCCCCCCCC(=O)O	C112050
MACCS_114	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_114	CCCCCCCC=O	C124130
MACCS_114	CCCCCCCC(=O)O	C124072
MACCS_114	CCCCC=O	C110623
MACCS_114	CCCCCCCCCCC	C1120214
MACCS_114	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_114	CCC(=NO)C	C96297
MACCS_114	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_114	CCCCCCCCO	C111875
MACCS_114	CCCCCCCCCCO	C112301
MACCS_114	CCCCCCCCCCCCCO	C112709
MACCS_114	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_114	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_114	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_114	c1(c(O)cccc1)C(CC)C	C89725
MACCS_114	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_114	c1(CCCC)ccccc1	C104518
MACCS_114	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_114	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_114	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_114	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_114	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_114	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_114	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_114	C(=O)(O)C(CCC)CCC	C99661
MACCS_114	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_114	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_114	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_114	CCCCOCCO	C111762
MACCS_114	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_114	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_114	O(CCOC)CCOC	C111966
MACCS_114	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_114	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_114	C(CCCCCCCC)C	C124185
MACCS_114	O(CCOC)CCO	C111773
MACCS_114	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_114	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_114	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_114	O=C(O)C(CCCC)CC	C149575
MACCS_114	C(CC(C)C)OC(=O)C	C123922
MACCS_114	O=c1ccsn1CCCCCCCC	C26530201
MACCS_114	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_114	N(CCCC)(CCCC)CCCC	C102829
MACCS_114	C(OCCOC)COCCOC	C112492
MACCS_114	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_114	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_114	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_114	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_114	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_114	OCCC(C)CCC=C(C)C	C106229
MACCS_114	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_114	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_114	OCCC(O)C	C107880
MACCS_114	OC(CC(C)C)C	C108112
MACCS_114	O=C(OC)CCCCCCC	C111115
MACCS_114	O=C(OC)CCCCCCCCCCC	C111820
MACCS_114	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_114	OCCOCCCCCC	C112254
MACCS_114	OCCCCCCCCCCC	C112425
MACCS_114	OCCCCCCCCCCCC	C112538
MACCS_114	OCCCCCCCCCCCCCC	C112721
MACCS_114	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_114	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_114	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_114	CCCCCCCCCCCCCCCC	C544763
MACCS_114	O=C(C)OCCCCC	C628637
MACCS_114	CCCCCCCCCCCCCCC	C629629
MACCS_114	OCCCCCCCCCCCCCCC	C629765
MACCS_114	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_114	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_114	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_114	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_114	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_114	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_114	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_114	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_114	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_114	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_114	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_114	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_114	OC(OCCCOC)CC	C34590948
MACCS_114	OCCCCCCCCCCCCCCCC	C36653824
MACCS_114	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_114	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_114	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_114	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_114	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_114	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_114	O=C1CCC(O1)CCCCCCC	C104676
MACCS_114	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_114	CCCCCCCCN(C)C	C7378996
MACCS_114	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_114	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_114	O=C(CCC)OCC	C105544
MACCS_114	O=C(OCC)CCCCCC	C106309
MACCS_114	O=C(OCCCC)c1ccccc1	C136607
MACCS_114	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_114	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_114	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_114	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_114	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_114	O=C(CCC)OCCC(C)C	C106274
MACCS_114	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_114	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_114	CCCc1ccccc1	C103651
MACCS_114	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_114	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_114	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_114	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_114	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_114	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_114	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_114	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_114	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_114	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_114	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_114	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_114	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_114	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_114	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_114	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_114	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_114	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_114	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_114	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_114	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_114	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_114	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_114	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_114	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_114	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_114	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_114	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_114	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_114	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_114	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_114	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_114	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_114	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_114	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_114	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_114	C=CCCCCCCCCCCCC	C1120361
MACCS_114	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_114	OC(C(CC)CCCC)C#C	C5877429
MACCS_114	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_114	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_114	C(CO)C(C)C	C123513
MACCS_114	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_114	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_114	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_114	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_114	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_114	OCCC(OC)C	C2517433
MACCS_114	S=C(NCCCC)NCCCC	C109466
MACCS_114	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_114	O=CCC(C)CCC=C(C)C	C106230
MACCS_114	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_114	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_114	O=CCCSC	C3268493
MACCS_114	N(CCN(C)C)(C)C	C110189
MACCS_114	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_114	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_114	CC(=O)OCCCC	C123864
MACCS_114	CC(=O)CCC(C)C	C110123
MACCS_114	CC(=O)CC(C)C	C108101
MACCS_114	CCCCCC=O	C66251
MACCS_114	CCCC=O	C123728
MACCS_114	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_114	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_114	CC1CC(=O)O1	C3068880
MACCS_114	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_114	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_114	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_114	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_114	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_114	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_114	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_114	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_114	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_114	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_114	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_114	O=CC=CC=CCCCCC	C25152845
MACCS_114	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_114	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_114	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_114	ClC(=O)C(CC)CCCC	C760678
MACCS_114	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_114	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_114	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_114	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_114	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_114	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_114	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_114	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_114	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_114	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_114	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_114	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_114	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_114	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_114	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_114	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_114	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_114	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_114	O=P(OCCCC)(O)OCCCC	C107664
MACCS_114	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_114	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_114	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_114	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_114	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_114	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_114	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_114	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_114	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_114	N#CSCCCCCCCCCCCC	C765151
MACCS_114	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_114	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_114	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_114	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_114	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_114	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_114	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_114	CCCCCCCCCCCCN.Cl	C929737
MACCS_114	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_114	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_114	BrCCCCCCCCCCCC	C143157
MACCS_114	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_114	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_114	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_114	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_114	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_114	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_114	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_114	NCCCOCCCCCCCC	C15930662
MACCS_114	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_114	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_114	CC1COc2ccccc2N1	C32329207
MACCS_114	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_114	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_114	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_114	O=C/C=C/CCCCCCC	C3913813
MACCS_114	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_114	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_114	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_114	S=C=NCCCSC	C505793
MACCS_114	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_114	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_114	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_114	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_114	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_114	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_114	CCCCCCCCCC(C)C=O	C110418
MACCS_114	CCCCCc1ccco1	C3777693
MACCS_114	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_114	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_115	CC(=O)OCc1ccccc1	C140114
MACCS_115	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_115	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_115	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_115	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_115	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_115	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_115	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_115	CN(CCO)C	C108010
MACCS_115	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_115	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_115	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_115	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_115	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_115	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_115	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_115	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_115	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_115	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_115	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_115	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_115	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_115	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_115	OCCOCCOCCOCCCC	C143226
MACCS_115	CCCCCCCCCC=O	C112312
MACCS_115	CCCCCCCCCCCC(=O)O	C143077
MACCS_115	O=CCCCCCC	C111717
MACCS_115	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_115	CCCCCCCCC=O	C124196
MACCS_115	OC(=O)CCCC	C109524
MACCS_115	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_115	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_115	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_115	Nc1ccc(CCCC)cc1	C104132
MACCS_115	CCCC(=O)C	C107879
MACCS_115	CCCCCC(=O)C	C110430
MACCS_115	CCNCCO	C110736
MACCS_115	CCCCCCO	C111273
MACCS_115	CCCCCCCO	C111706
MACCS_115	CCCCCCCCCC(=O)C	C112129
MACCS_115	CCCCCC(=O)OCC	C123660
MACCS_115	CCCCCCCCCCCCN	C124221
MACCS_115	CCCCCCCCCO	C143088
MACCS_115	CCCCCCC1OC(=O)CC1	C706149
MACCS_115	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_115	CCCCCCCCCCN	C2016571
MACCS_115	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_115	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_115	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_115	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_115	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_115	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_115	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_115	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_115	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_115	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_115	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_115	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_115	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_115	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_115	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_115	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_115	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_115	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_115	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_115	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_115	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_115	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_115	O=C(OCCCC)C=C	C141322
MACCS_115	C(OCCCC)C1CO1	C2426086
MACCS_115	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_115	N(CCCN)(C)C	C109557
MACCS_115	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_115	C(CCCCCC)CCCCCS	C112550
MACCS_115	C(CC)(C=O)CCCC	C123057
MACCS_115	OCC(C(O)CCC)CC	C94962
MACCS_115	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_115	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_115	CC=C1CC2C=CC1C2	C16219753
MACCS_115	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_115	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_115	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_115	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_115	N#CC(CCC#N)C	C4553622
MACCS_115	C(CCCCCCC)C	C111842
MACCS_115	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_115	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_115	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_115	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_115	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_115	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_115	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_115	O=C(C)OCC(CC)CCCC	C103093
MACCS_115	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_115	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_115	O=C(OC)CCCCCCCCC	C110429
MACCS_115	O=C(C)OCCOC(=O)C	C111557
MACCS_115	O=C(C)OCCOCCCC	C112072
MACCS_115	CCCCCCCCCCCCN(C)C	C112185
MACCS_115	OCCOCCOCCOC	C112356
MACCS_115	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_115	OC(CCCCCC)C	C123966
MACCS_115	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_115	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_115	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_115	CC1=CCC(=C(C)C)CC1	C586629
MACCS_115	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_115	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_115	O=C(N(C)C)CCCCCCC	C1118929
MACCS_115	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_115	OCCOCCOCCOCCOCCCC	C1559348
MACCS_115	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_115	O=C(N(C)C)CC(=O)C	C2044646
MACCS_115	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_115	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_115	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_115	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_115	SC(C)(C)CCCCCC	C25360105
MACCS_115	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_115	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_115	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_115	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_115	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_115	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_115	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_115	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_115	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_115	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_115	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_115	OC(CCCC(C)C)(C)CC	C78693
MACCS_115	CN1CCOCC1	C109024
MACCS_115	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_115	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_115	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_115	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_115	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_115	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_115	OCC(CCC)CCCCC	C10042598
MACCS_115	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_115	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_115	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_115	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_115	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_115	CC(=C)C1CC=C(C)CC1	C138863
MACCS_115	OC1CC(CCC1C(C)C)C	C1490046
MACCS_115	OCCC(C)CC(C)(C)C	C3452979
MACCS_115	OC(OCCCC)CC	C29387868
MACCS_115	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_115	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_115	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_115	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_115	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_115	OCn1nc(C)cc1C	C85264331
MACCS_115	OCCSCCCCCCCC	C3547339
MACCS_115	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_115	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_115	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_115	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_115	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_115	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_115	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_115	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_115	O=C1OC(CCCCC)CC1	C104610
MACCS_115	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_115	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_115	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_115	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_115	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_115	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_115	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_115	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_115	OC(CCCCC)C=C	C3391864
MACCS_115	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_115	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_115	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_115	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_115	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_115	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_115	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_115	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_115	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_115	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_115	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_115	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_115	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_115	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_115	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_115	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_115	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_115	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_115	O=C1OCC(CC)O1	C4437858
MACCS_115	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_115	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_115	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_115	Nc1ccc(CCCCC)cc1	C33228443
MACCS_115	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_115	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_115	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_115	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_115	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_115	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_115	CC(C)C1=CCC(=CC1)C	C99854
MACCS_115	CC1=CC=C(C(C)C)CC1	C99865
MACCS_115	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_115	CC(O)COCC	C1569024
MACCS_115	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_115	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_115	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_115	O=C1CCC(O1)CC	C695067
MACCS_115	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_115	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_115	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_115	OC(CCCC(C)C)(C)C	C13254347
MACCS_115	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_115	O=C(C)OCC/C=C\CC	C3681718
MACCS_115	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_115	CCC(c1ccccc1)CCC	C4468422
MACCS_115	O=CCC/C=C\CCCCC	C21662099
MACCS_115	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_115	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_115	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_115	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_115	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_115	O=C(CCC)OCCCCC	C540181
MACCS_115	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_115	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_115	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_115	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_115	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_115	OCCOCC(CC)CCCC	C1559359
MACCS_115	O=C(CC)CCCCC	C106683
MACCS_115	OCCN(CC)CCO	C139877
MACCS_115	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_115	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_115	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_115	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_115	O=C(CCC)OCCCCCCC	C5870939
MACCS_115	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_115	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_115	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_115	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_115	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_115	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_115	OC(C)C(=O)OCCCC	C138227
MACCS_115	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_115	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_115	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_115	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_115	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_115	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_115	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_115	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_115	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_115	CCO[Si](OCC)(C)OCC	C2031676
MACCS_115	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_115	CO[Si](OC)(CCC)OC	C1067250
MACCS_115	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_115	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_115	O=C(C)OCCCCCCCC	C112141
MACCS_115	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_115	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_115	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_115	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_115	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_115	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_115	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_115	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_115	OCC(CCCC)CCCCCC	C3913028
MACCS_115	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_115	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_115	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_115	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_115	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_115	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_115	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_115	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_115	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_115	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_115	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_115	Oc1ccc(CCCC)cc1	C1638228
MACCS_115	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_115	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_115	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_115	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_115	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_115	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_115	OCCOCC(C)OCCO	C9003116
MACCS_115	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_115	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_115	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_115	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_115	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_115	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_115	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_115	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_115	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_115	Clc1ccc(CCCC)cc1	C15499271
MACCS_115	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_115	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_115	Nc1ccc(cc1)OCCCC	C4344552
MACCS_115	OC1CCC(CCCC)CC1	C70568604
MACCS_115	Clc1ccc(CCCCC)cc1	C79098207
MACCS_115	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_115	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_115	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_115	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_115	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_115	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_115	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_115	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_115	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_115	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_115	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_115	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_115	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_115	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_115	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_115	OCCOC	C109864
MACCS_115	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_115	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_115	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_115	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_115	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_115	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_115	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_115	O=C(NCCCC)OCC#CI	C55406536
MACCS_115	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_115	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_115	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_115	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_115	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_115	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_115	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_115	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_115	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_115	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_115	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_115	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_115	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_115	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_115	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_115	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_115	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_115	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_115	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_115	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_115	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_115	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_115	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_115	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_115	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_115	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_115	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_115	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_115	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_115	CCC(CCCC)CO	C104767
MACCS_115	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_115	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_115	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_115	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_115	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_115	O=C1N(CCC1)C	C872504
MACCS_115	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_115	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_115	O=NN(CCCC)CCCC	C924163
MACCS_115	CCN(CC)N=O	C55185
MACCS_115	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_115	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_115	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_115	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_115	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_115	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_115	CCCCOCCOCCO	C112345
MACCS_115	CCCCCCCCCC(=O)O	C334485
MACCS_115	O=C(O)CCCCCC	C111148
MACCS_115	CCCCCC(=O)O	C142621
MACCS_115	CCCCCCCCC(=O)O	C112050
MACCS_115	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_115	CCCCCCCC=O	C124130
MACCS_115	CCCCCCCC(=O)O	C124072
MACCS_115	CCCCC=O	C110623
MACCS_115	CCCCCCCCCCC	C1120214
MACCS_115	CCN(CC)c1ccccc1	C91667
MACCS_115	CCN(CCO)CC	C100378
MACCS_115	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_115	CC(=O)OCCOCC	C111159
MACCS_115	CCCCCCCCO	C111875
MACCS_115	CCOCCOCCO	C111900
MACCS_115	CCCCCCCCCCO	C112301
MACCS_115	CCCCCCCCCCCCCO	C112709
MACCS_115	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_115	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_115	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_115	c1(CCCC)ccccc1	C104518
MACCS_115	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_115	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_115	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_115	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_115	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_115	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_115	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_115	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_115	CCOCCO	C110805
MACCS_115	CCCCOCCO	C111762
MACCS_115	OCCOCCOCCOCC	C112505
MACCS_115	O(CCOC)CCOC	C111966
MACCS_115	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_115	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_115	C(CCCCCCCC)C	C124185
MACCS_115	O(CCOC)CCO	C111773
MACCS_115	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_115	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_115	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_115	COC(=O)CCCC(=O)OC	C1119400
MACCS_115	C(=O)(OC)CCC(=O)OC	C106650
MACCS_115	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_115	O=C(O)C(CCCC)CC	C149575
MACCS_115	C(CC(C)C)OC(=O)C	C123922
MACCS_115	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_115	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_115	O=c1ccsn1CCCCCCCC	C26530201
MACCS_115	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_115	N(CCCC)(CCCC)CCCC	C102829
MACCS_115	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_115	C(OCCOC)COCCOC	C112492
MACCS_115	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_115	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_115	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_115	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_115	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_115	OCCC(C)CCC=C(C)C	C106229
MACCS_115	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_115	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_115	OCCC(O)C	C107880
MACCS_115	O=C(OC)CCCCCCC	C111115
MACCS_115	O=C(OC)CCCCCCCCCCC	C111820
MACCS_115	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_115	OCCOCCCCCC	C112254
MACCS_115	OCCCCCCCCCCC	C112425
MACCS_115	OCCCCCCCCCCCC	C112538
MACCS_115	OCCCCCCCCCCCCCC	C112721
MACCS_115	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_115	CCCCCCCCCCCCCCCC	C544763
MACCS_115	O=C(C)OCCCCC	C628637
MACCS_115	CCCCCCCCCCCCCCC	C629629
MACCS_115	OCCCCCCCCCCCCCCC	C629765
MACCS_115	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_115	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_115	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_115	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_115	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_115	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_115	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_115	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_115	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_115	OC(OCCCOC)CC	C34590948
MACCS_115	OCCCCCCCCCCCCCCCC	C36653824
MACCS_115	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_115	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_115	O=C(OC)CC(=O)OC	C108598
MACCS_115	CCC12N(COC1)COC2	C7747355
MACCS_115	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_115	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_115	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_115	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_115	S=P(OCC)(OCC)SCSCC	C298022
MACCS_115	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_115	O=C1CCC(O1)CCCCCCC	C104676
MACCS_115	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_115	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_115	CCCCCCCCN(C)C	C7378996
MACCS_115	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_115	O=C(OCC)CCCCCC	C106309
MACCS_115	O=C(OCCCC)c1ccccc1	C136607
MACCS_115	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_115	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_115	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_115	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_115	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_115	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_115	O=C(CCC)OCCC(C)C	C106274
MACCS_115	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_115	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_115	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_115	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_115	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_115	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_115	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_115	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_115	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_115	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_115	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_115	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_115	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_115	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_115	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_115	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_115	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_115	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_115	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_115	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_115	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_115	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_115	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_115	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_115	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_115	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_115	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_115	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_115	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_115	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_115	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_115	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_115	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_115	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_115	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_115	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_115	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_115	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_115	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_115	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_115	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_115	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_115	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_115	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_115	C=CCCCCCCCCCCCC	C1120361
MACCS_115	OC(C(CC)CCCC)C#C	C5877429
MACCS_115	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_115	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_115	C(CO)C(C)C	C123513
MACCS_115	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_115	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_115	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_115	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_115	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_115	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_115	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_115	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_115	OCCC(OC)C	C2517433
MACCS_115	S=C(NCCCC)NCCCC	C109466
MACCS_115	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_115	O=CCC(C)CCC=C(C)C	C106230
MACCS_115	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_115	O=CCCSC	C3268493
MACCS_115	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_115	N(CCN(C)C)(C)C	C110189
MACCS_115	CCN(CC)CC	C121448
MACCS_115	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_115	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_115	CC(=O)OCC	C141786
MACCS_115	CC(=O)OCCCC	C123864
MACCS_115	CC(=O)CCC(C)C	C110123
MACCS_115	CCCCCC=O	C66251
MACCS_115	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_115	CCC1CO1	C106887
MACCS_115	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_115	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_115	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_115	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_115	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_115	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_115	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_115	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_115	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_115	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_115	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_115	O=CC=CC=CCCCCC	C25152845
MACCS_115	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_115	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_115	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_115	OCC=C(C)C	C556821
MACCS_115	ClC(=O)C(CC)CCCC	C760678
MACCS_115	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_115	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_115	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_115	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_115	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_115	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_115	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_115	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_115	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_115	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_115	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_115	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_115	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_115	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_115	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_115	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_115	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_115	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_115	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_115	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_115	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_115	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_115	Br[Sn](CC)(CC)CC	C2767546
MACCS_115	O=P(OCCCC)(O)OCCCC	C107664
MACCS_115	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_115	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_115	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_115	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_115	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_115	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_115	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_115	N#CSCCCCCCCCCCCC	C765151
MACCS_115	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_115	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_115	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_115	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_115	CCCCCCCCCCCCN.Cl	C929737
MACCS_115	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_115	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_115	BrCCCCCCCCCCCC	C143157
MACCS_115	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_115	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_115	O=C(OC)CCCC(=O)O	C1501275
MACCS_115	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_115	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_115	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_115	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_115	NCCCOCCCCCCCC	C15930662
MACCS_115	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_115	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_115	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_115	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_115	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_115	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_115	O=C/C=C/CCCCCCC	C3913813
MACCS_115	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_115	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_115	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_115	S=C=NCCCSC	C505793
MACCS_115	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_115	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_115	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_115	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_115	CC/C=C\CCOC(OCC)C	C28069741
MACCS_115	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_115	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_115	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_115	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_115	CCCCCCCCCC(C)C=O	C110418
MACCS_115	CCCCCc1ccco1	C3777693
MACCS_115	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_115	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_116	CC(=O)N	C60355
MACCS_116	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_116	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_116	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_116	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_116	CN(C)C(=O)C	C127195
MACCS_116	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_116	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_116	NC(=O)OC	C598550
MACCS_116	NC(=O)c1cccnc1	C98920
MACCS_116	CN(C(=O)N)N=O	C684935
MACCS_116	CN(N=O)C	C62759
MACCS_116	O=NN1CCCC1	C930552
MACCS_116	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_116	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_116	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_116	c1(O)ccccc1C(=O)N	C65452
MACCS_116	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_116	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_116	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_116	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_116	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_116	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_116	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_116	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_116	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_116	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_116	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_116	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_116	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_116	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_116	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_116	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_116	O=C(N)N=NC(=O)N	C123773
MACCS_116	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_116	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_116	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_116	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_116	OCNC(=O)NCO	C140954
MACCS_116	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_116	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_116	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_116	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_116	O=C1NCCC1	C616455
MACCS_116	O=C(N)[O-].[NH4+]	C1111780
MACCS_116	O=C(N(C)C)CCCCCCC	C1118929
MACCS_116	O=C(N(C)C)CC(=O)C	C2044646
MACCS_116	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_116	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_116	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_116	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_116	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_116	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_116	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_116	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_116	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_116	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_116	O=C1NC2NC(=O)NC2N1	C496468
MACCS_116	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_116	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_116	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_116	OCn1nc(C)cc1C	C85264331
MACCS_116	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_116	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_116	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_116	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_116	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_116	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_116	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_116	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_116	O=S(=O)(N)O	C5329146
MACCS_116	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_116	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_116	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_116	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_116	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_116	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_116	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_116	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_116	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_116	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_116	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_116	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_116	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_116	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_116	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_116	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_116	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_116	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_116	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_116	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_116	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_116	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_116	O=C(Nc1ccccc1)CCl	C587655
MACCS_116	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_116	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_116	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_116	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_116	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_116	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_116	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_116	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_116	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_116	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_116	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_116	O=C(N)Nc1ccccc1	C64108
MACCS_116	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_116	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_116	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_116	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_116	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_116	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_116	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_116	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_116	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_116	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_116	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_116	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_116	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_116	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_116	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_116	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_116	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_116	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_116	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_116	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_116	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_116	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_116	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_116	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_116	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_116	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_116	CSC(=NOC(=O)NC)C	C16752775
MACCS_116	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_116	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_116	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_116	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_116	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_116	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_116	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_116	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_116	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_116	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_116	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_116	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_116	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_116	CCCN(CCC)C(=O)SCC	C759944
MACCS_116	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_116	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_116	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_116	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_116	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_116	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_116	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_116	NP(=O)(OC)SC	C10265926
MACCS_116	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_116	O=C(SCC)N1CCCCCC1	C2212671
MACCS_116	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_116	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_116	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_116	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_116	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_116	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_116	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_116	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_116	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_116	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_116	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_116	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_116	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_116	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_116	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_116	O=C(NCCCC)OCC#CI	C55406536
MACCS_116	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_116	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_116	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_116	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_116	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_116	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_116	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_116	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_116	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_116	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_116	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_116	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_116	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_116	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_116	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_116	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_116	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_116	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_116	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_116	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_116	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_116	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_116	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_116	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_116	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_116	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_116	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_116	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_116	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_116	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_116	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_116	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_116	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_116	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_116	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_116	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_116	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_116	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_116	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_116	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_116	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_116	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_116	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_116	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_116	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_116	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_116	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_116	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_116	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_116	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_116	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_116	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_116	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_116	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_116	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_116	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_116	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_116	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_116	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_116	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_116	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_116	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_116	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_116	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_116	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_116	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_116	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_116	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_116	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_116	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_116	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_116	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_116	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_116	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_116	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_116	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_116	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_116	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_116	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_116	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_116	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_116	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_116	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_116	NC(=O)C=C	C79061
MACCS_116	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_116	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_116	O=C1CCCCCN1	C105602
MACCS_116	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_116	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_116	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_116	O=C(N(C)C)Cl	C79447
MACCS_116	CN(C=O)C	C68122
MACCS_116	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_116	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_116	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_116	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_116	O=C(c1ccncc1)NN	C54853
MACCS_116	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_116	O=C1N(CCC1)C	C872504
MACCS_116	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_116	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_116	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_116	O=NN(CCCC)CCCC	C924163
MACCS_116	CCN(CC)N=O	C55185
MACCS_116	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_116	O=NN(CCC)CCC	C621647
MACCS_116	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_116	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_116	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_116	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_116	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_116	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_116	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_116	C(=O)(N)N	C57136
MACCS_116	NC(=O)OCC	C51796
MACCS_116	O=C1N(C=C)CCC1	C88120
MACCS_116	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_116	CC1(C)NC(=O)NC1=O	C77714
MACCS_116	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_116	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_116	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_116	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_116	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_116	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_116	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_116	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_116	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_116	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_116	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_116	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_116	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_116	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_116	O=C=NCCCCCCN=C=O	C822060
MACCS_116	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_116	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_116	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_116	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_116	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_116	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_116	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_116	C(=O)(N)NO	C127071
MACCS_116	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_116	O=c1ccsn1CCCCCCCC	C26530201
MACCS_116	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_116	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_116	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_116	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_116	CCC12N(COC1)COC2	C7747355
MACCS_116	O=C(N)C(=C)C	C79390
MACCS_116	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_116	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_116	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_116	O=c1[nH]sc2c1cccc2	C2634335
MACCS_116	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_116	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_116	O=c1n(C)sc(Cl)c1	C26172554
MACCS_116	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_116	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_116	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_116	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_116	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_116	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_116	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_116	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_116	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_116	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_116	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_116	O=C(C)NC	C79163
MACCS_116	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_116	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_116	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_116	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_116	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_116	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_116	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_116	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_116	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_116	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_116	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_116	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_116	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_116	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_116	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_116	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_116	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_116	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_116	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_116	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_116	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_116	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_116	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_116	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_116	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_116	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_116	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_116	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_116	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_116	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_116	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_116	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_116	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_116	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_116	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_116	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_116	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_116	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_116	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_116	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_116	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_116	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_116	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_116	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_116	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_116	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_116	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_116	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_116	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_116	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_116	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_116	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_116	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_116	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_116	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_116	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_116	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_116	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_116	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_116	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_116	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_116	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_116	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_116	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_116	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_116	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_116	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_116	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_116	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_116	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_116	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_116	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_116	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_116	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_116	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_116	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_116	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_116	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_116	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_116	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_116	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_116	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_116	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_116	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_116	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_116	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_116	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_116	C(=O)N	C75127
MACCS_116	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_116	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_116	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_116	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_116	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_116	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_116	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_116	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_116	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_116	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_116	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_116	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_116	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_116	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_116	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_116	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_116	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_116	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_116	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_116	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_116	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_116	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_116	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_116	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_116	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_116	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_116	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_116	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_116	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_116	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_116	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_116	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_116	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_116	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_116	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_116	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_116	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_116	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_116	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_116	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_116	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_116	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_116	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_116	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_116	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_116	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_116	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_116	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_116	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_116	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_116	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_116	O=c1cc(C)o[nH]1	C10004441
MACCS_116	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_116	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_116	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_116	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_116	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_116	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_116	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_116	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_116	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_116	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_116	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_116	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_116	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_116	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_116	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_116	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_116	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_116	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_116	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_116	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_116	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_116	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_116	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_116	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_116	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_116	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_116	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_116	O=CN1CCCCC1	C2591868
MACCS_116	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_116	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_116	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_116	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_116	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_116	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_116	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_116	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_116	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_116	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_116	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_116	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_116	NNC(=O)OCc1ccccc1	C5331431
MACCS_116	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_116	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_116	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_117	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_117	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_117	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_117	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_117	O=C1CCCCC1	C108941
MACCS_117	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_117	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_117	BrCCBr	C106934
MACCS_117	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_117	CN(CCO)C	C108010
MACCS_117	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_117	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_117	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_117	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_117	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_117	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_117	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_117	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_117	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_117	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_117	O=NN1CCCC1	C930552
MACCS_117	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_117	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_117	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_117	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_117	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_117	OCCOCCOCCOCCCC	C143226
MACCS_117	CCCCCCCCCC=O	C112312
MACCS_117	CCCCCCCCCCCC(=O)O	C143077
MACCS_117	O=CCCCCCC	C111717
MACCS_117	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_117	CCCCCCCCC=O	C124196
MACCS_117	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_117	OC(=O)CCCC	C109524
MACCS_117	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_117	OCCC	C71238
MACCS_117	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_117	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_117	ON=C1CCCCC1	C100641
MACCS_117	OCCN1CCNCC1	C103764
MACCS_117	Nc1ccc(CCCC)cc1	C104132
MACCS_117	CCCC(=O)C	C107879
MACCS_117	C1CCCCC1O	C108930
MACCS_117	CCCCCC(=O)C	C110430
MACCS_117	CCNCCO	C110736
MACCS_117	CCCCCCO	C111273
MACCS_117	CCCCCCCO	C111706
MACCS_117	CCCCCCCCCC(=O)C	C112129
MACCS_117	CCCCCC(=O)OCC	C123660
MACCS_117	CCCCCCCCCCCCN	C124221
MACCS_117	NCCN1CCNCC1	C140318
MACCS_117	CCCCCCCCCO	C143088
MACCS_117	Oc1ccc(CCC)cc1	C645567
MACCS_117	CCCCCCC1OC(=O)CC1	C706149
MACCS_117	C=CC(=O)OCCO	C818611
MACCS_117	CC/C=C\CCO	C928961
MACCS_117	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_117	CCCCCCCCCCN	C2016571
MACCS_117	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_117	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_117	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_117	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_117	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_117	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_117	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_117	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_117	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_117	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_117	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_117	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_117	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_117	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_117	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_117	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_117	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_117	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_117	C(=O)(O)CCC(=O)O	C110156
MACCS_117	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_117	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_117	ON=CCCC	C110690
MACCS_117	OCCCCO	C110634
MACCS_117	O=C(OCCCC)C=C	C141322
MACCS_117	C(OCCCC)C1CO1	C2426086
MACCS_117	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_117	C(CCN)CCCN	C124094
MACCS_117	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_117	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_117	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_117	N(CCN)CCN	C111400
MACCS_117	N(CCCN)(C)C	C109557
MACCS_117	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_117	C(CCCCCC)CCCCCS	C112550
MACCS_117	C(CC)(C=O)CCCC	C123057
MACCS_117	OCC(C(O)CCC)CC	C94962
MACCS_117	CCC(=CCCC)C=O	C645625
MACCS_117	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_117	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_117	O=CCCCC=O	C111308
MACCS_117	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_117	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_117	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_117	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_117	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_117	N#CC(CCC#N)C	C4553622
MACCS_117	C1COCCN1	C110918
MACCS_117	C(CCCCCCC)C	C111842
MACCS_117	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_117	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_117	c12ccccc1CCCC2	C119642
MACCS_117	ClCCOP(OCCCl)OCCCl	C140089
MACCS_117	OCCc1ccccc1	C60128
MACCS_117	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_117	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_117	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_117	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_117	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_117	O=C(C)OCC(CC)CCCC	C103093
MACCS_117	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_117	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_117	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_117	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_117	O=C(OC)CCCCCCCCC	C110429
MACCS_117	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_117	N1CCCCCC1	C111499
MACCS_117	O=C(C)OCCOC(=O)C	C111557
MACCS_117	O=C(C)OCCOCCCC	C112072
MACCS_117	CCCCCCCCCCCCN(C)C	C112185
MACCS_117	OCCOCCOCCOC	C112356
MACCS_117	OCCOCCOCCOCCO	C112607
MACCS_117	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_117	OC(CCCCCC)C	C123966
MACCS_117	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_117	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_117	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_117	CC1=CCC(=C(C)C)CC1	C586629
MACCS_117	O=C1NCCC1	C616455
MACCS_117	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_117	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_117	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_117	O=C(N(C)C)CCCCCCC	C1118929
MACCS_117	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_117	OCCOCCOCCOCCOCCCC	C1559348
MACCS_117	OC1CCCCCCCCCCC1	C1724396
MACCS_117	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_117	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_117	OCCOCCC	C2807309
MACCS_117	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_117	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_117	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_117	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_117	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_117	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_117	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_117	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_117	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_117	SC(C)(C)CCCCCC	C25360105
MACCS_117	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_117	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_117	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_117	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_117	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_117	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_117	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_117	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_117	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_117	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_117	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_117	OC(CCCC(C)C)(C)CC	C78693
MACCS_117	OCC1OCCC1	C97994
MACCS_117	CN1CCOCC1	C109024
MACCS_117	O=C1CCCC1	C120923
MACCS_117	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_117	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_117	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_117	OC(C)COCCC	C1569013
MACCS_117	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_117	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_117	OCC(CCC)CCCCC	C10042598
MACCS_117	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_117	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_117	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_117	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_117	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_117	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_117	CC(=C)C1CC=C(C)CC1	C138863
MACCS_117	OC1CC(CCC1C(C)C)C	C1490046
MACCS_117	OCCC(C)CC(C)(C)C	C3452979
MACCS_117	OC(OCCCC)CC	C29387868
MACCS_117	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_117	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_117	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_117	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_117	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_117	OCCSCCCCCCCC	C3547339
MACCS_117	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_117	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_117	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_117	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_117	OC1CCCC1	C96413
MACCS_117	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_117	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_117	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_117	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_117	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_117	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_117	O=C1OC(CCCCC)CC1	C104610
MACCS_117	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_117	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_117	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_117	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_117	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_117	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_117	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_117	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_117	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_117	OC(CCCCC)C=C	C3391864
MACCS_117	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_117	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_117	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_117	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_117	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_117	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_117	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_117	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_117	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_117	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_117	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_117	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_117	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_117	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_117	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_117	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_117	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_117	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_117	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_117	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_117	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_117	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_117	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_117	Nc1ccc(CCCCC)cc1	C33228443
MACCS_117	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_117	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_117	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_117	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_117	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_117	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_117	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_117	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_117	CC1=CC=C(C(C)C)CC1	C99865
MACCS_117	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_117	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_117	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_117	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_117	O=C1CCC(O1)CC	C695067
MACCS_117	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_117	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_117	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_117	OC(CCCC(C)C)(C)C	C13254347
MACCS_117	O=C/C=C/CCC	C6728263
MACCS_117	O1C=CCCC1	C110872
MACCS_117	O=C(C)OCC/C=C\CC	C3681718
MACCS_117	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_117	CCC(c1ccccc1)CCC	C4468422
MACCS_117	O=CCC/C=C\CCCCC	C21662099
MACCS_117	NCCCN1CCOCC1	C123002
MACCS_117	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_117	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_117	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_117	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_117	O=C(CCC)OCCCCC	C540181
MACCS_117	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_117	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_117	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_117	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_117	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_117	OCCOCC(CC)CCCC	C1559359
MACCS_117	O=C(CC)CCCCC	C106683
MACCS_117	OCCN(CC)CCO	C139877
MACCS_117	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_117	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_117	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_117	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_117	O=C(CCC)OCCCCCCC	C5870939
MACCS_117	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_117	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_117	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_117	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_117	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_117	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_117	OC(C)C(=O)OCCCC	C138227
MACCS_117	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_117	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_117	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_117	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_117	COc1ccc(CCC)cc1	C104450
MACCS_117	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_117	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_117	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_117	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_117	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_117	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_117	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_117	CO[Si](OC)(CCC)OC	C1067250
MACCS_117	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_117	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_117	O=C(C)OCCCCCCCC	C112141
MACCS_117	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_117	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_117	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_117	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_117	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_117	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_117	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_117	NCCN.I.I	C5700492
MACCS_117	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_117	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_117	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_117	OCC(CCCC)CCCCCC	C3913028
MACCS_117	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_117	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_117	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_117	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_117	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_117	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_117	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_117	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_117	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_117	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_117	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_117	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_117	Oc1ccc(CCCC)cc1	C1638228
MACCS_117	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_117	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_117	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_117	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_117	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_117	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_117	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_117	OCCOCC(C)OCCO	C9003116
MACCS_117	O=C1OC(CCC)CC1	C105215
MACCS_117	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_117	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_117	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_117	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_117	Nc1ccc(CCC)cc1	C2696846
MACCS_117	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_117	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_117	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_117	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_117	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_117	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_117	Clc1ccc(CCCC)cc1	C15499271
MACCS_117	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_117	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_117	O=C1CCC(CCC)CC1	C40649363
MACCS_117	Nc1ccc(cc1)OCCCC	C4344552
MACCS_117	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_117	OC1CCC(CCCC)CC1	C70568604
MACCS_117	Clc1ccc(CCCCC)cc1	C79098207
MACCS_117	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_117	S=C1NCCN1	C96457
MACCS_117	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_117	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_117	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_117	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_117	c1ccccc1OCCO	C122996
MACCS_117	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_117	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_117	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_117	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_117	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_117	ClCCP(=O)(O)O	C16672870
MACCS_117	CCCN(CCC)C(=O)SCC	C759944
MACCS_117	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_117	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_117	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_117	OCCOC	C109864
MACCS_117	O=C(SCC)N1CCCCCC1	C2212671
MACCS_117	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_117	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_117	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_117	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_117	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_117	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_117	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_117	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_117	O=C(NCCCC)OCC#CI	C55406536
MACCS_117	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_117	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_117	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_117	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_117	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_117	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_117	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_117	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_117	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_117	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_117	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_117	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_117	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_117	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_117	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_117	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_117	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_117	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_117	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_117	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_117	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_117	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_117	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_117	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_117	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_117	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_117	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_117	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_117	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_117	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_117	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_117	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_117	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_117	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_117	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_117	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_117	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_117	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_117	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_117	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_117	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_117	ClCCOCCCl	C111444
MACCS_117	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_117	O=C1CCCO1	C96480
MACCS_117	O=C1CCCCCN1	C105602
MACCS_117	OCCOCCO	C111466
MACCS_117	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_117	C(CO)O	C107211
MACCS_117	O1C2C1CCC(C2)C1CO1	C106876
MACCS_117	CCC(CCCC)CO	C104767
MACCS_117	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_117	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_117	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_117	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_117	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_117	O=C1N(CCC1)C	C872504
MACCS_117	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_117	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_117	O=NN(CCCC)CCCC	C924163
MACCS_117	O=NN(CCC)CCC	C621647
MACCS_117	C1CNCCN1	C110850
MACCS_117	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_117	O=S1(=O)CCCO1	C1120714
MACCS_117	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_117	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_117	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_117	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_117	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_117	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_117	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_117	OCCN(CCO)CCO	C102716
MACCS_117	OCCOCCOCCO	C112276
MACCS_117	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_117	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_117	O=C1N(C=C)CCC1	C88120
MACCS_117	OC(=O)CCC	C107926
MACCS_117	CCCCOCCOCCO	C112345
MACCS_117	CCCCCCCCCC(=O)O	C334485
MACCS_117	O=C(O)CCCCCC	C111148
MACCS_117	OC(=O)CCCCC(=O)O	C124049
MACCS_117	CCCCCC(=O)O	C142621
MACCS_117	CCCCCCCCC(=O)O	C112050
MACCS_117	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_117	CCCCCCCC=O	C124130
MACCS_117	CCCCCCCC(=O)O	C124072
MACCS_117	CCCCC=O	C110623
MACCS_117	CCCCCCCCCCC	C1120214
MACCS_117	c1ccc2cccc3c2c1CC3	C83329
MACCS_117	CCN(CCO)CC	C100378
MACCS_117	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_117	ClCCO	C107073
MACCS_117	CC(=O)OCCOCC	C111159
MACCS_117	OCCNCCO	C111422
MACCS_117	N#CCCCCC#N	C111693
MACCS_117	CCCCCCCCO	C111875
MACCS_117	CCOCCOCCO	C111900
MACCS_117	CCCCCCCCCCO	C112301
MACCS_117	CCCCCCCCCCCCCO	C112709
MACCS_117	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_117	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_117	OCCN	C141435
MACCS_117	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_117	c1(CCCC)ccccc1	C104518
MACCS_117	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_117	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_117	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_117	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_117	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_117	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_117	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_117	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_117	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_117	C(=O)(O)C(CCC)CCC	C99661
MACCS_117	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_117	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_117	NC1CCCCC1	C108918
MACCS_117	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_117	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_117	CCOCCO	C110805
MACCS_117	CCCCOCCO	C111762
MACCS_117	O=C=NCCCCCCN=C=O	C822060
MACCS_117	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_117	OCCOCCOCCOCC	C112505
MACCS_117	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_117	O(CCOC)CCOC	C111966
MACCS_117	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_117	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_117	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_117	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_117	C(CCCCCCCC)C	C124185
MACCS_117	O(CCOC)CCO	C111773
MACCS_117	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_117	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_117	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_117	COC(=O)CCCC(=O)OC	C1119400
MACCS_117	C(=O)(OC)CCC(=O)OC	C106650
MACCS_117	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_117	O=C(O)C(CCCC)CC	C149575
MACCS_117	C(CC(C)C)OC(=O)C	C123922
MACCS_117	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_117	O=c1ccsn1CCCCCCCC	C26530201
MACCS_117	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_117	N(CCCC)(CCCC)CCCC	C102829
MACCS_117	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_117	C(OCCOC)COCCOC	C112492
MACCS_117	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_117	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_117	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_117	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_117	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_117	OCCC(C)CCC=C(C)C	C106229
MACCS_117	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_117	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_117	OCCC(O)C	C107880
MACCS_117	O=C(OC)CCCCCCC	C111115
MACCS_117	O=C(OC)CCCCCCCCCCC	C111820
MACCS_117	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_117	OCCOCCCCCC	C112254
MACCS_117	OCCCCCCCCCCC	C112425
MACCS_117	OCCCCCCCCCCCC	C112538
MACCS_117	OCCCCCCCCCCCCCC	C112721
MACCS_117	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_117	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_117	CCCCCCCCCCCCCCCC	C544763
MACCS_117	O=C(C)OCCCCC	C628637
MACCS_117	CCCCCCCCCCCCCCC	C629629
MACCS_117	OCCCCCCCCCCCCCCC	C629765
MACCS_117	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_117	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_117	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_117	C1=CCCC=CCCC=CCC1	C4904614
MACCS_117	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_117	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_117	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_117	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_117	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_117	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_117	OC(OCCCOC)CC	C34590948
MACCS_117	OCCCCCCCCCCCCCCCC	C36653824
MACCS_117	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_117	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_117	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_117	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_117	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_117	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_117	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_117	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_117	O=C1CCC(O1)CCCCCCC	C104676
MACCS_117	O=C(O)CCCCCCCCC=C	C112389
MACCS_117	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_117	CCCCCCCCN(C)C	C7378996
MACCS_117	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_117	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_117	O=C(OCC)CCC(=O)OCC	C123251
MACCS_117	O=C(CCC)OCC	C105544
MACCS_117	O=C(OCC)CCCCCC	C106309
MACCS_117	O=C(OCCCC)c1ccccc1	C136607
MACCS_117	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_117	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_117	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_117	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_117	O=C(CCC)OCCC(C)C	C106274
MACCS_117	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_117	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_117	CCCc1ccccc1	C103651
MACCS_117	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_117	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_117	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_117	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_117	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_117	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_117	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_117	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_117	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_117	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_117	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_117	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_117	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_117	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_117	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_117	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_117	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_117	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_117	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_117	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_117	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_117	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_117	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_117	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_117	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_117	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_117	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_117	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_117	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_117	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_117	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_117	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_117	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_117	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_117	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_117	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_117	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_117	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_117	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_117	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_117	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_117	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_117	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_117	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_117	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_117	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_117	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_117	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_117	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_117	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_117	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_117	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_117	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_117	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_117	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_117	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_117	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_117	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_117	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_117	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_117	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_117	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_117	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_117	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_117	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_117	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_117	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_117	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_117	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_117	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_117	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_117	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_117	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_117	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_117	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_117	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_117	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_117	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_117	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_117	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_117	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_117	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_117	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_117	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_117	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_117	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_117	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_117	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_117	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_117	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_117	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_117	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_117	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_117	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_117	C=CCCCCCCCCCCCC	C1120361
MACCS_117	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_117	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_117	OC(C(CC)CCCC)C#C	C5877429
MACCS_117	OCCCBr	C627189
MACCS_117	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_117	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_117	C(CO)C(C)C	C123513
MACCS_117	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_117	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_117	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_117	NCCOCCOCCN	C929599
MACCS_117	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_117	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_117	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_117	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_117	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_117	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_117	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_117	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_117	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_117	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_117	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_117	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_117	OCCC(OC)C	C2517433
MACCS_117	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_117	S=C(NCCCC)NCCCC	C109466
MACCS_117	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_117	O=CCC(C)CCC=C(C)C	C106230
MACCS_117	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_117	O=CCCSC	C3268493
MACCS_117	N(CCN(C)C)(C)C	C110189
MACCS_117	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_117	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_117	CC(=O)OCCCC	C123864
MACCS_117	CC(=O)CCC(C)C	C110123
MACCS_117	NCCN	C107153
MACCS_117	CCCCCC=O	C66251
MACCS_117	CCCC=O	C123728
MACCS_117	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_117	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_117	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_117	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_117	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_117	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_117	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_117	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_117	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_117	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_117	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_117	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_117	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_117	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_117	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_117	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_117	O=CC=CC=CCCCCC	C25152845
MACCS_117	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_117	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_117	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_117	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_117	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_117	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_117	ClC(=O)C(CC)CCCC	C760678
MACCS_117	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_117	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_117	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_117	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_117	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_117	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_117	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_117	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_117	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_117	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_117	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_117	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_117	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_117	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_117	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_117	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_117	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_117	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_117	O=CCCCCCCCCC=C	C112458
MACCS_117	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_117	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_117	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_117	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_117	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_117	O=P(OCCCC)(O)OCCCC	C107664
MACCS_117	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_117	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_117	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_117	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_117	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_117	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_117	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_117	N#CSCCCCCCCCCCCC	C765151
MACCS_117	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_117	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_117	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_117	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_117	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_117	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_117	O=CN1CCCCC1	C2591868
MACCS_117	O=C(O)CCSCCC(=O)O	C111171
MACCS_117	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_117	CCCCCCCCCCCCN.Cl	C929737
MACCS_117	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_117	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_117	BrCCCCCCCCCCCC	C143157
MACCS_117	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_117	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_117	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_117	O=C(OC)CCCC(=O)O	C1501275
MACCS_117	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_117	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_117	O=C(OCCCCO)C=C	C2478106
MACCS_117	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_117	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_117	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_117	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_117	NCCCOCCCCCCCC	C15930662
MACCS_117	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_117	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_117	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_117	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_117	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_117	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_117	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_117	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_117	O=C/C=C/CCCCCCC	C3913813
MACCS_117	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_117	SC1CCCC1	C1679078
MACCS_117	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_117	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_117	S=C=NCCCSC	C505793
MACCS_117	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_117	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_117	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_117	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_117	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_117	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_117	CC/C=C\CCOC(OCC)C	C28069741
MACCS_117	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_117	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_117	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_117	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_117	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_117	CCCCCCCCCC(C)C=O	C110418
MACCS_117	CCCCCc1ccco1	C3777693
MACCS_117	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_118	C=CCN=C=S	C57067
MACCS_118	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_118	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_118	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_118	NC(=N)NC#N	C461585
MACCS_118	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_118	O=[N+](CC)[O-]	C79243
MACCS_118	CN(C(=O)N)N=O	C684935
MACCS_118	CN(N=O)C	C62759
MACCS_118	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_118	O=NN1CCCC1	C930552
MACCS_118	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_118	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_118	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_118	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_118	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_118	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_118	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_118	ON=C1CCCCC1	C100641
MACCS_118	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_118	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_118	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_118	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_118	O=C(N)N=NC(=O)N	C123773
MACCS_118	ON=CCCC	C110690
MACCS_118	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_118	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_118	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_118	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_118	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_118	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_118	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_118	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_118	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_118	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_118	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_118	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_118	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_118	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_118	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_118	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_118	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_118	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_118	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_118	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_118	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_118	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_118	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_118	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_118	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_118	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_118	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_118	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_118	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_118	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_118	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_118	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_118	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_118	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_118	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_118	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_118	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_118	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_118	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_118	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_118	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_118	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_118	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_118	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_118	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_118	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_118	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_118	CSC(=NOC(=O)NC)C	C16752775
MACCS_118	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_118	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_118	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_118	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_118	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_118	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_118	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_118	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_118	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_118	S=C=NC	C556616
MACCS_118	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_118	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_118	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_118	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_118	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_118	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_118	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_118	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_118	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_118	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_118	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_118	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_118	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_118	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_118	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_118	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_118	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_118	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_118	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_118	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_118	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_118	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_118	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_118	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_118	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_118	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_118	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_118	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_118	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_118	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_118	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_118	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_118	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_118	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_118	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_118	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_118	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_118	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_118	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_118	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_118	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_118	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_118	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_118	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_118	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_118	O=N[O-].[Na+]	C7632000
MACCS_118	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_118	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_118	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_118	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_118	O=[N+](c1ccccc1)[O-]	C98953
MACCS_118	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_118	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_118	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_118	O=NN(CCCC)CCCC	C924163
MACCS_118	CCN(CC)N=O	C55185
MACCS_118	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_118	O=NN(CCC)CCC	C621647
MACCS_118	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_118	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_118	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_118	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_118	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_118	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_118	CCC(=NO)C	C96297
MACCS_118	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_118	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_118	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_118	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_118	O=N(=O)c1ccc(C)cc1	C99990
MACCS_118	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_118	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_118	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_118	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_118	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_118	O=C=NCCCCCCN=C=O	C822060
MACCS_118	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_118	ON=CC(C)(C)SC	C1646759
MACCS_118	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_118	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_118	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_118	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_118	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_118	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_118	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_118	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_118	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_118	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_118	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_118	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_118	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_118	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_118	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_118	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_118	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_118	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_118	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_118	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_118	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_118	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_118	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_118	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_118	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_118	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_118	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_118	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_118	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_118	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_118	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_118	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_118	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_118	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_118	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_118	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_118	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_118	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_118	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_118	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_118	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_118	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_118	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_118	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_118	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_118	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_118	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_118	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_118	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_118	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_118	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_118	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_118	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_118	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_118	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_118	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_118	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_118	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_118	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_118	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_118	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_118	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_118	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_118	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_118	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_118	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_118	S=C=NCCCSC	C505793
MACCS_118	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_119	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_119	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_119	c1(nc[nH]n1)N	C61825
MACCS_119	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_119	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_119	[nH]1c2c(cccc2)nn1	C95147
MACCS_119	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_119	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_119	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_119	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_119	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_119	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_119	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_119	c1cccc2[nH]ccc12	C120729
MACCS_119	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_119	NC(=O)c1cccnc1	C98920
MACCS_119	OC(=O)c1cccnc1	C59676
MACCS_119	O=NN1CCCC1	C930552
MACCS_119	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_119	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_119	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_119	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_119	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_119	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_119	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_119	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_119	OCCN1CCNCC1	C103764
MACCS_119	NCCN1CCNCC1	C140318
MACCS_119	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_119	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_119	CCCCCCC1OC(=O)CC1	C706149
MACCS_119	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_119	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_119	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_119	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_119	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_119	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_119	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_119	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_119	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_119	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_119	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_119	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_119	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_119	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_119	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_119	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_119	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_119	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_119	c1ccc2ncsc2c1	C95169
MACCS_119	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_119	C(OCCCC)C1CO1	C2426086
MACCS_119	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_119	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_119	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_119	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_119	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_119	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_119	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_119	c1c(CO)occ1	C98000
MACCS_119	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_119	C1COCCN1	C110918
MACCS_119	c12ncccc1ccc1c2nccc1	C66717
MACCS_119	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_119	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_119	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_119	Cc1cccc2nn[nH]c12	C29385431
MACCS_119	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_119	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_119	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_119	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_119	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_119	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_119	O=C1OCC(C)O1	C108327
MACCS_119	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_119	N1CCCCCC1	C111499
MACCS_119	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_119	O=C1NCCC1	C616455
MACCS_119	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_119	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_119	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_119	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_119	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_119	OCC1OCCC1	C97994
MACCS_119	CN1CCOCC1	C109024
MACCS_119	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_119	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_119	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_119	n1c[nH]cc1	C288324
MACCS_119	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_119	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_119	O=C1NC2NC(=O)NC2N1	C496468
MACCS_119	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_119	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_119	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_119	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_119	OCn1nc(C)cc1C	C85264331
MACCS_119	Clc1c(Cl)ssc1=O	C1192525
MACCS_119	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_119	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_119	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_119	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_119	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_119	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_119	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_119	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_119	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_119	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_119	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_119	O=C1OC(CCCCC)CC1	C104610
MACCS_119	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_119	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_119	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_119	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_119	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_119	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_119	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_119	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_119	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_119	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_119	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_119	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_119	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_119	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_119	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_119	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_119	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_119	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_119	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_119	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_119	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_119	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_119	O=C1OCC(CC)O1	C4437858
MACCS_119	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_119	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_119	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_119	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_119	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_119	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_119	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_119	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_119	O=C1CCC(O1)CC	C695067
MACCS_119	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_119	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_119	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_119	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_119	O1C=CCCC1	C110872
MACCS_119	O=c1ccoc(CC)c1O	C4940118
MACCS_119	NCCCN1CCOCC1	C123002
MACCS_119	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_119	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_119	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_119	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_119	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_119	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_119	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_119	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_119	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_119	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_119	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_119	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_119	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_119	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_119	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_119	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_119	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_119	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_119	O=C1OC(CCC)CC1	C105215
MACCS_119	c12ccccc1c1c(cccc1)s2	C132650
MACCS_119	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_119	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_119	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_119	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_119	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_119	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_119	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_119	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_119	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_119	S=C1NCCN1	C96457
MACCS_119	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_119	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_119	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_119	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_119	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_119	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_119	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_119	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_119	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_119	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_119	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_119	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_119	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_119	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_119	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_119	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_119	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_119	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_119	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_119	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_119	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_119	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_119	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_119	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_119	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_119	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_119	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_119	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_119	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_119	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_119	O=C(SCC)N1CCCCCC1	C2212671
MACCS_119	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_119	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_119	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_119	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_119	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_119	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_119	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_119	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_119	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_119	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_119	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_119	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_119	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_119	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_119	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_119	CN1CN(C)CSC1=S	C533744
MACCS_119	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_119	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_119	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_119	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_119	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_119	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_119	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_119	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_119	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_119	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_119	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_119	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_119	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_119	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_119	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_119	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_119	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_119	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_119	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_119	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_119	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_119	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_119	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_119	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_119	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_119	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_119	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_119	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_119	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_119	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_119	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_119	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_119	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_119	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_119	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_119	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_119	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_119	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_119	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_119	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_119	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_119	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_119	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_119	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_119	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_119	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_119	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_119	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_119	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_119	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_119	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_119	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_119	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_119	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_119	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_119	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_119	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_119	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_119	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_119	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_119	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_119	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_119	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_119	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_119	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_119	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_119	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_119	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_119	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_119	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_119	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_119	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_119	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_119	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_119	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_119	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_119	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_119	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_119	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_119	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_119	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_119	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_119	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_119	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_119	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_119	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_119	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_119	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_119	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_119	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_119	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_119	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_119	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_119	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_119	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_119	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_119	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_119	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_119	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_119	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_119	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_119	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_119	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_119	c1coc2c1cccc2	C271896
MACCS_119	O=C1CCCO1	C96480
MACCS_119	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_119	O=C1CCCCCN1	C105602
MACCS_119	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_119	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_119	O=c1oc2c(cccc2)cc1	C91645
MACCS_119	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_119	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_119	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_119	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_119	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_119	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_119	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_119	O1C2C1CCC(C2)C1CO1	C106876
MACCS_119	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_119	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_119	O=Cc1ccco1	C98011
MACCS_119	OCC1CO1	C556525
MACCS_119	C1N2CN3CN(C2)CN1C3	C100970
MACCS_119	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_119	Oc1cccc2cccnc12	C148243
MACCS_119	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_119	O=C(c1ccncc1)NN	C54853
MACCS_119	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_119	Sc1nc2c(cccc2)s1	C149304
MACCS_119	[nH]1c(=S)n(cc1)C	C60560
MACCS_119	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_119	O=C1N(CCC1)C	C872504
MACCS_119	Cc1cc2cccnc2cc1	C91623
MACCS_119	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_119	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_119	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_119	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_119	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_119	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_119	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_119	C1CNCCN1	C110850
MACCS_119	O=S1(=O)CCCO1	C1120714
MACCS_119	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_119	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_119	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_119	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_119	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_119	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_119	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_119	C1C(c2ccccc2)O1	C96093
MACCS_119	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_119	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_119	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_119	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_119	O=C1N(C=C)CCC1	C88120
MACCS_119	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_119	CC1(C)NC(=O)NC1=O	C77714
MACCS_119	n1cccc2c1cccc2	C91225
MACCS_119	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_119	c1cccc2c3ccccc3oc12	C132649
MACCS_119	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_119	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_119	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_119	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_119	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_119	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_119	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_119	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_119	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_119	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_119	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_119	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_119	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_119	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_119	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_119	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_119	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_119	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_119	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_119	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_119	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_119	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_119	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_119	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_119	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_119	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_119	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_119	o1c(C)c(O)c(=O)cc1	C118718
MACCS_119	O=c1ccsn1CCCCCCCC	C26530201
MACCS_119	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_119	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_119	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_119	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_119	N#Cc1cnccc1	C100549
MACCS_119	[nH]1ncnc1	C288880
MACCS_119	c1(c2ccncc2)ccncc1	C553264
MACCS_119	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_119	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_119	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_119	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_119	CCC12N(COC1)COC2	C7747355
MACCS_119	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_119	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_119	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_119	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_119	O=c1[nH]sc2c1cccc2	C2634335
MACCS_119	Nn1cnnc1	C584134
MACCS_119	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_119	O=c1n(C)sc(Cl)c1	C26172554
MACCS_119	O=C1CCC(O1)CCCCCCC	C104676
MACCS_119	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_119	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_119	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_119	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_119	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_119	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_119	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_119	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_119	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_119	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_119	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_119	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_119	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_119	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_119	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_119	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_119	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_119	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_119	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_119	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_119	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_119	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_119	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_119	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_119	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_119	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_119	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_119	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_119	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_119	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_119	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_119	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_119	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_119	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_119	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_119	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_119	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_119	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_119	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_119	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_119	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_119	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_119	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_119	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_119	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_119	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_119	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_119	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_119	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_119	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_119	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_119	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_119	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_119	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_119	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_119	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_119	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_119	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_119	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_119	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_119	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_119	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_119	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_119	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_119	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_119	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_119	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_119	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_119	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_119	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_119	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_119	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_119	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_119	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_119	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_119	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_119	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_119	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_119	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_119	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_119	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_119	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_119	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_119	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_119	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_119	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_119	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_119	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_119	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_119	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_119	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_119	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_119	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_119	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_119	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_119	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_119	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_119	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_119	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_119	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_119	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_119	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_119	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_119	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_119	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_119	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_119	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_119	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_119	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_119	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_119	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_119	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_119	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_119	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_119	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_119	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_119	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_119	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_119	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_119	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_119	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_119	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_119	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_119	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_119	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_119	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_119	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_119	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_119	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_119	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_119	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_119	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_119	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_119	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_119	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_119	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_119	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_119	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_119	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_119	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_119	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_119	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_119	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_119	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_119	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_119	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_119	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_119	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_119	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_119	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_119	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_119	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_119	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_119	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_119	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_119	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_119	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_119	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_119	n1cc(C)ccc1	C108996
MACCS_119	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_119	CCC1CO1	C106887
MACCS_119	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_119	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_119	CC1CC(=O)O1	C3068880
MACCS_119	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_119	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_119	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_119	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_119	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_119	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_119	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_119	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_119	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_119	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_119	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_119	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_119	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_119	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_119	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_119	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_119	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_119	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_119	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_119	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_119	c12ccccc1ccc1c2cccn1	C85029
MACCS_119	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_119	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_119	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_119	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_119	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_119	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_119	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_119	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_119	OCc1c[nH]c2c1cccc2	C700061
MACCS_119	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_119	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_119	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_119	O=c1cc(C)o[nH]1	C10004441
MACCS_119	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_119	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_119	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_119	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_119	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_119	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_119	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_119	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_119	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_119	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_119	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_119	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_119	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_119	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_119	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_119	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_119	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_119	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_119	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_119	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_119	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_119	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_119	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_119	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_119	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_119	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_119	O=CN1CCCCC1	C2591868
MACCS_119	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_119	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_119	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_119	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_119	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_119	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_119	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_119	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_119	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_119	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_119	Nc1cccc(C)n1	C1824813
MACCS_119	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_119	CC1COc2ccccc2N1	C32329207
MACCS_119	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_119	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_119	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_119	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_119	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_119	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_119	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_119	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_119	c1(SSc2cccs2)cccs1	C6911519
MACCS_119	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_119	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_119	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_119	CCCCCc1ccco1	C3777693
MACCS_119	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_119	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_122	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_122	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_122	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_122	CC(=O)OCc1ccccc1	C140114
MACCS_122	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_122	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_122	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_122	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_122	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_122	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_122	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_122	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_122	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_122	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_122	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_122	NC(=O)OC	C598550
MACCS_122	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_122	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_122	OC(=O)c1cccnc1	C59676
MACCS_122	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_122	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_122	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_122	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_122	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_122	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_122	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_122	O=C(O)/C=C\C(=O)O	C110167
MACCS_122	OC(=O)/C=C/C(=O)O	C110178
MACCS_122	CCCCCCCCCCCC(=O)O	C143077
MACCS_122	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_122	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_122	OC(=O)CCCC	C109524
MACCS_122	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_122	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_122	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_122	CCOC(=O)CC(=O)OCC	C105533
MACCS_122	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_122	CCCCCC(=O)OCC	C123660
MACCS_122	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_122	O=C(OC(C)(C)C)C	C540885
MACCS_122	CCCCCCC1OC(=O)CC1	C706149
MACCS_122	C=CC(=O)OCCO	C818611
MACCS_122	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_122	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_122	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_122	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_122	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_122	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_122	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_122	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_122	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_122	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_122	C(=O)(O)C(C)O	C50215
MACCS_122	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_122	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_122	C(=O)(O)CCC(=O)O	C110156
MACCS_122	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_122	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_122	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_122	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_122	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_122	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_122	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_122	[Na+].[O-]C(=O)CF	C62748
MACCS_122	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_122	O=C(OCCCC)C=C	C141322
MACCS_122	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_122	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_122	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_122	O=C(OCC)c1c(N)cccc1	C87252
MACCS_122	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_122	C(=O)(O)CO	C79141
MACCS_122	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_122	O(C(C)C)C(=O)C	C108214
MACCS_122	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_122	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_122	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_122	C(=O)(O)C(=O)O	C144627
MACCS_122	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_122	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_122	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_122	O=C(O)CS	C68111
MACCS_122	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_122	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_122	O=C(O)c1ccccc1O	C69727
MACCS_122	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_122	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_122	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_122	O=C(O)c1ccc(O)cc1	C99967
MACCS_122	O=C(C)OCC(CC)CCCC	C103093
MACCS_122	O=C1OCC(C)O1	C108327
MACCS_122	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_122	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_122	O=C(OC)CCCCCCCCC	C110429
MACCS_122	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_122	O=C(C)OCCOC(=O)C	C111557
MACCS_122	O=C(C)OCCOCCCC	C112072
MACCS_122	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_122	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_122	O=COC(C)C	C625558
MACCS_122	O=C(N)[O-].[NH4+]	C1111780
MACCS_122	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_122	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_122	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_122	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_122	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_122	O=C(CCl)[O-].[Na+]	C3926623
MACCS_122	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_122	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_122	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_122	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_122	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_122	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_122	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_122	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_122	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_122	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_122	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_122	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_122	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_122	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_122	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_122	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_122	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_122	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_122	OC(OCCCC)CC	C29387868
MACCS_122	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_122	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_122	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_122	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_122	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_122	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_122	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_122	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_122	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_122	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_122	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_122	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_122	O=C1OC(CCCCC)CC1	C104610
MACCS_122	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_122	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_122	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_122	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_122	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_122	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_122	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_122	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_122	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_122	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_122	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_122	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_122	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_122	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_122	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_122	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_122	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_122	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_122	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_122	O=C(CC)OCC	C105373
MACCS_122	O=C1OCC(CC)O1	C4437858
MACCS_122	O=C(CBr)OCc1ccccc1	C5437456
MACCS_122	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_122	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_122	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_122	O=C(OCC)c1c(C)cccc1	C87241
MACCS_122	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_122	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_122	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_122	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_122	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_122	O=C1CCC(O1)CC	C695067
MACCS_122	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_122	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_122	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_122	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_122	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_122	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_122	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_122	O=C(C)OCC/C=C\CC	C3681718
MACCS_122	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_122	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_122	O=C(CCC)OCCCCC	C540181
MACCS_122	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_122	O=C(C)OC(C)c1ccccc1	C93925
MACCS_122	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_122	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_122	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_122	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_122	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_122	CCOC(OCC)OCC	C122510
MACCS_122	O=C(CF)O	C144490
MACCS_122	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_122	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_122	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_122	O=C(CCC)OCCCCCCC	C5870939
MACCS_122	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_122	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_122	OC(C)C(=O)OCCCC	C138227
MACCS_122	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_122	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_122	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_122	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_122	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_122	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_122	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_122	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_122	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_122	O=C(C)OCCCCCCCC	C112141
MACCS_122	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_122	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_122	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_122	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_122	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_122	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_122	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_122	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_122	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_122	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_122	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_122	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_122	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_122	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_122	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_122	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_122	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_122	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_122	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_122	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_122	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_122	O=C1OC(CCC)CC1	C105215
MACCS_122	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_122	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_122	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_122	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_122	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_122	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_122	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_122	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_122	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_122	O=C(OC)c1c(C)cccc1	C89714
MACCS_122	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_122	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_122	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_122	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_122	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_122	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_122	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_122	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_122	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_122	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_122	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_122	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_122	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_122	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_122	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_122	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_122	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_122	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_122	CSC(=NOC(=O)NC)C	C16752775
MACCS_122	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_122	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_122	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_122	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_122	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_122	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_122	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_122	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_122	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_122	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_122	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_122	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_122	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_122	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_122	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_122	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_122	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_122	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_122	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_122	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_122	O=C(NCCCC)OCC#CI	C55406536
MACCS_122	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_122	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_122	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_122	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_122	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_122	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_122	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_122	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_122	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_122	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_122	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_122	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_122	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_122	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_122	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_122	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_122	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_122	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_122	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_122	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_122	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_122	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_122	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_122	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_122	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_122	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_122	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_122	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_122	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_122	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_122	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_122	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_122	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_122	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_122	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_122	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_122	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_122	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_122	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_122	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_122	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_122	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_122	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_122	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_122	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_122	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_122	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_122	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_122	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_122	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_122	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_122	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_122	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_122	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_122	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_122	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_122	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_122	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_122	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_122	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_122	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_122	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_122	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_122	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_122	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_122	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_122	OC(=O)c1ccccc1	C65850
MACCS_122	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_122	O=C1CCCO1	C96480
MACCS_122	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_122	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_122	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_122	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_122	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_122	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_122	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_122	O=c1oc2c(cccc2)cc1	C91645
MACCS_122	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_122	OC(=O)C(Cl)Cl	C79436
MACCS_122	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_122	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_122	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_122	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_122	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_122	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_122	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_122	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_122	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_122	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_122	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_122	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_122	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_122	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_122	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_122	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_122	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_122	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_122	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_122	OC(=O)C=CC=CC	C110441
MACCS_122	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_122	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_122	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_122	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_122	NC(=O)OCC	C51796
MACCS_122	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_122	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_122	OC(=O)CCC	C107926
MACCS_122	CCCCCCCCCC(=O)O	C334485
MACCS_122	CC(Cl)(Cl)C(=O)O	C75990
MACCS_122	O=C(O)CCCCCC	C111148
MACCS_122	OC(=O)CCCCC(=O)O	C124049
MACCS_122	CCCCCC(=O)O	C142621
MACCS_122	CCCCCCCCC(=O)O	C112050
MACCS_122	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_122	CCCCCCCC(=O)O	C124072
MACCS_122	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_122	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_122	CC(=O)OCCOCC	C111159
MACCS_122	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_122	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_122	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_122	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_122	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_122	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_122	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_122	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_122	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_122	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_122	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_122	C(=O)(O)C(CCC)CCC	C99661
MACCS_122	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_122	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_122	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_122	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_122	O=C(O)c1ccc(N)cc1	C150130
MACCS_122	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_122	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_122	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_122	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_122	COC(=O)CCCC(=O)OC	C1119400
MACCS_122	C(=O)(OC)CCC(=O)OC	C106650
MACCS_122	O=C(O)C(CCCC)CC	C149575
MACCS_122	C(CC(C)C)OC(=O)C	C123922
MACCS_122	O=C(OC)c1c(N)cccc1	C134203
MACCS_122	O=C(OC)c1c(O)cccc1	C119368
MACCS_122	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_122	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_122	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_122	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_122	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_122	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_122	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_122	O=C(OC)CCCCCCC	C111115
MACCS_122	O=C(OC)CCCCCCCCCCC	C111820
MACCS_122	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_122	O=C(C)OCCCCC	C628637
MACCS_122	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_122	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_122	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_122	O=C(O)C(O)CC(=O)O	C6915157
MACCS_122	OC(OC(O)CC)CC	C25265718
MACCS_122	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_122	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_122	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_122	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_122	OC(OCCCOC)CC	C34590948
MACCS_122	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_122	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_122	O=C(OC)CC(=O)OC	C108598
MACCS_122	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_122	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_122	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_122	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_122	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_122	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_122	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_122	O=C1CCC(O1)CCCCCCC	C104676
MACCS_122	O=C(O)CCCCCCCCC=C	C112389
MACCS_122	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_122	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_122	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_122	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_122	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_122	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_122	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_122	O=C(OCC)CCC(=O)OCC	C123251
MACCS_122	O=C(CCC)OCC	C105544
MACCS_122	O=C(OCC)CCCCCC	C106309
MACCS_122	O=C(OCCCC)c1ccccc1	C136607
MACCS_122	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_122	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_122	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_122	O=C(CCC)OCCC(C)C	C106274
MACCS_122	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_122	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_122	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_122	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_122	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_122	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_122	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_122	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_122	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_122	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_122	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_122	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_122	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_122	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_122	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_122	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_122	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_122	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_122	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_122	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_122	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_122	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_122	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_122	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_122	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_122	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_122	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_122	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_122	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_122	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_122	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_122	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_122	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_122	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_122	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_122	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_122	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_122	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_122	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_122	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_122	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_122	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_122	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_122	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_122	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_122	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_122	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_122	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_122	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_122	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_122	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_122	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_122	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_122	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_122	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_122	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_122	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_122	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_122	C(=O)(C)O	C64197
MACCS_122	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_122	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_122	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_122	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_122	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_122	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_122	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_122	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_122	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_122	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_122	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_122	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_122	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_122	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_122	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_122	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_122	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_122	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_122	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_122	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_122	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_122	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_122	O=COCC	C109944
MACCS_122	O=C(OCC)c1ccccc1	C93890
MACCS_122	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_122	CC(=O)OCC	C141786
MACCS_122	CC(=O)OCCCC	C123864
MACCS_122	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_122	CC1CC(=O)O1	C3068880
MACCS_122	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_122	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_122	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_122	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_122	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_122	CC(=O)C(=O)O	C127173
MACCS_122	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_122	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_122	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_122	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_122	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_122	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_122	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_122	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_122	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_122	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_122	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_122	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_122	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_122	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_122	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_122	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_122	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_122	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_122	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_122	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_122	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_122	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_122	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_122	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_122	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_122	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_122	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_122	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_122	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_122	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_122	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_122	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_122	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_122	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_122	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_122	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_122	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_122	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_122	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_122	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_122	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_122	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_122	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_122	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_122	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_122	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_122	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_122	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_122	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_122	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_122	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_122	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_122	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_122	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_122	O=C(O)CCSCCC(=O)O	C111171
MACCS_122	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_122	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_122	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_122	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_122	O=C(OC)CCCC(=O)O	C1501275
MACCS_122	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_122	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_122	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_122	O=C(OCCCCO)C=C	C2478106
MACCS_122	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_122	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_122	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_122	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_122	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_122	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_122	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_122	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_122	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_122	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_122	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_122	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_122	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_122	COC(OC)C(C)c1ccccc1	C90879
MACCS_122	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_122	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_122	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_122	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_122	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_122	CC/C=C\CCOC(OCC)C	C28069741
MACCS_122	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_122	NNC(=O)OCc1ccccc1	C5331431
MACCS_122	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_122	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_122	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_122	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_122	O=COCc1ccc(OC)cc1	C122918
MACCS_122	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_123	c1(nc[nH]n1)N	C61825
MACCS_123	[nH]1c2c(cccc2)nn1	C95147
MACCS_123	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_123	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_123	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_123	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_123	CN(C)N	C57147
MACCS_123	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_123	O=[N+](CC)[O-]	C79243
MACCS_123	CN(C(=O)N)N=O	C684935
MACCS_123	CN(N=O)C	C62759
MACCS_123	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_123	O=NN1CCCC1	C930552
MACCS_123	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_123	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_123	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_123	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_123	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_123	O=P(OC)(OC)OC	C512561
MACCS_123	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_123	F[B-](F)(F)F.[Na+]	C13755298
MACCS_123	CS(=O)C	C67685
MACCS_123	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_123	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_123	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_123	ON=C1CCCCC1	C100641
MACCS_123	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_123	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_123	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_123	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_123	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_123	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_123	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_123	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_123	C[Si](=O)C	C9016006
MACCS_123	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_123	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_123	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_123	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_123	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_123	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_123	OP(=O)(O)O	C7664382
MACCS_123	O=C(N)N=NC(=O)N	C123773
MACCS_123	ON=CCCC	C110690
MACCS_123	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_123	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_123	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_123	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_123	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_123	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_123	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_123	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_123	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_123	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_123	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_123	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_123	Cc1cccc2nn[nH]c12	C29385431
MACCS_123	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_123	O=P(OCC)(OCC)OCC	C78400
MACCS_123	ClCCOP(OCCCl)OCCCl	C140089
MACCS_123	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_123	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_123	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_123	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_123	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_123	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_123	ClP(c1ccccc1)Cl	C644973
MACCS_123	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_123	Cl[Sn](C)(C)Cl	C753731
MACCS_123	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_123	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_123	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_123	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_123	NNC(=S)NN	C2231574
MACCS_123	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_123	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_123	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_123	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_123	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_123	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_123	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_123	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_123	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_123	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_123	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_123	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_123	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_123	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_123	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_123	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_123	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_123	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_123	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_123	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_123	OCn1nc(C)cc1C	C85264331
MACCS_123	Clc1c(Cl)ssc1=O	C1192525
MACCS_123	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_123	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_123	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_123	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_123	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_123	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_123	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_123	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_123	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_123	O=S(=O)(N)O	C5329146
MACCS_123	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_123	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_123	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_123	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_123	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_123	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_123	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_123	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_123	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_123	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_123	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_123	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_123	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_123	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_123	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_123	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_123	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_123	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_123	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_123	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_123	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_123	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_123	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_123	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_123	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_123	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_123	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_123	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_123	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_123	[Na]I	C7681825
MACCS_123	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_123	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_123	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_123	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_123	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_123	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_123	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_123	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_123	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_123	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_123	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_123	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_123	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_123	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_123	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_123	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_123	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_123	OP(OCC)OCC	C762049
MACCS_123	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_123	Cl[Dy](Cl)Cl	C10025748
MACCS_123	CCO[Si](OCC)(OCC)CC	C78079
MACCS_123	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_123	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_123	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_123	CO[Si](C)(C)OC	C1112396
MACCS_123	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_123	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_123	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_123	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_123	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_123	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_123	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_123	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_123	CCO[Si](OCC)(C)OCC	C2031676
MACCS_123	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_123	CO[Si](OC)(CCC)OC	C1067250
MACCS_123	NNC(=S)NC	C6610293
MACCS_123	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_123	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_123	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_123	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_123	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_123	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_123	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_123	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_123	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_123	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_123	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_123	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_123	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_123	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_123	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_123	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_123	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_123	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_123	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_123	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_123	OB(O)O	C10043353
MACCS_123	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_123	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_123	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_123	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_123	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_123	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_123	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_123	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_123	C[As](=O)(C)O	C75605
MACCS_123	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_123	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_123	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_123	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_123	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_123	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_123	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_123	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_123	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_123	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_123	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_123	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_123	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_123	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_123	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_123	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_123	CSC(=NOC(=O)NC)C	C16752775
MACCS_123	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_123	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_123	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_123	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_123	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_123	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_123	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_123	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_123	ClCCP(=O)(O)O	C16672870
MACCS_123	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_123	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_123	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_123	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_123	NP(=O)(OC)SC	C10265926
MACCS_123	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_123	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_123	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_123	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_123	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_123	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_123	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_123	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_123	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_123	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_123	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_123	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_123	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_123	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_123	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_123	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_123	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_123	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_123	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_123	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_123	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_123	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_123	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_123	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_123	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_123	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_123	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_123	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_123	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_123	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_123	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_123	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_123	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_123	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_123	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_123	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_123	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_123	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_123	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_123	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_123	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_123	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_123	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_123	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_123	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_123	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_123	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_123	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_123	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_123	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_123	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_123	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_123	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_123	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_123	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_123	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_123	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_123	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_123	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_123	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_123	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_123	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_123	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_123	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_123	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_123	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_123	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_123	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_123	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_123	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_123	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_123	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_123	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_123	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_123	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_123	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_123	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_123	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_123	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_123	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_123	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_123	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_123	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_123	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_123	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_123	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_123	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_123	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_123	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_123	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_123	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_123	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_123	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_123	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_123	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_123	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_123	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_123	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_123	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_123	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_123	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_123	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_123	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_123	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_123	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_123	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_123	O=C(c1ccncc1)NN	C54853
MACCS_123	CS(=O)(=O)OC	C66273
MACCS_123	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_123	O=N[O-].[Na+]	C7632000
MACCS_123	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_123	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_123	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_123	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_123	O=[N+](c1ccccc1)[O-]	C98953
MACCS_123	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_123	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_123	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_123	O=NN(CCCC)CCCC	C924163
MACCS_123	CCN(CC)N=O	C55185
MACCS_123	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_123	O=NN(CCC)CCC	C621647
MACCS_123	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_123	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_123	O=S1(=O)CCCO1	C1120714
MACCS_123	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_123	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_123	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_123	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_123	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_123	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_123	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_123	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_123	CCC(=NO)C	C96297
MACCS_123	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_123	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_123	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_123	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_123	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_123	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_123	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_123	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_123	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_123	O=N(=O)c1ccc(C)cc1	C99990
MACCS_123	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_123	[As]#[In]	C1303113
MACCS_123	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_123	O=S(=O)(OCC)OCC	C64675
MACCS_123	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_123	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_123	O=S(=O)(OC)OC	C77781
MACCS_123	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_123	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_123	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_123	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_123	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_123	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_123	ON=CC(C)(C)SC	C1646759
MACCS_123	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_123	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_123	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_123	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_123	O(O)C(c1ccccc1)(C)C	C80159
MACCS_123	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_123	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_123	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_123	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_123	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_123	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_123	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_123	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_123	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_123	C(=O)(N)NO	C127071
MACCS_123	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_123	O=c1ccsn1CCCCCCCC	C26530201
MACCS_123	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_123	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_123	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_123	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_123	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_123	[nH]1ncnc1	C288880
MACCS_123	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_123	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_123	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_123	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_123	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_123	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_123	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_123	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_123	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_123	S=P(OCC)(OCC)SCSCC	C298022
MACCS_123	O=c1[nH]sc2c1cccc2	C2634335
MACCS_123	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_123	Nn1cnnc1	C584134
MACCS_123	O=c1n(C)sc(Cl)c1	C26172554
MACCS_123	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_123	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_123	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_123	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_123	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_123	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_123	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_123	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_123	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_123	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_123	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_123	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_123	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_123	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_123	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_123	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_123	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_123	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_123	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_123	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_123	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_123	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_123	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_123	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_123	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_123	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_123	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_123	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_123	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_123	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_123	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_123	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_123	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_123	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_123	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_123	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_123	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_123	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_123	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_123	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_123	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_123	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_123	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_123	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_123	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_123	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_123	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_123	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_123	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_123	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_123	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_123	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_123	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_123	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_123	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_123	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_123	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_123	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_123	[Na+].[O-][Cl]=O	C7758192
MACCS_123	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_123	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_123	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_123	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_123	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_123	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_123	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_123	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_123	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_123	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_123	O=[Si]=O	C7631869
MACCS_123	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_123	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_123	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_123	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_123	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_123	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_123	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_123	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_123	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_123	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_123	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_123	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_123	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_123	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_123	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_123	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_123	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_123	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_123	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_123	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_123	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_123	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_123	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_123	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_123	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_123	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_123	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_123	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_123	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_123	NNc1ccccc1.Cl	C59881
MACCS_123	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_123	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_123	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_123	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_123	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_123	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_123	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_123	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_123	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_123	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_123	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_123	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_123	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_123	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_123	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_123	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_123	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_123	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_123	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_123	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_123	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_123	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_123	O=c1cc(C)o[nH]1	C10004441
MACCS_123	Cl[In](Cl)Cl	C10025828
MACCS_123	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_123	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_123	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_123	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_123	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_123	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_123	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_123	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_123	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_123	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_123	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_123	Br[Sn](CC)(CC)CC	C2767546
MACCS_123	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_123	O=P(OCCCC)(O)OCCCC	C107664
MACCS_123	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_123	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_123	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_123	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_123	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_123	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_123	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_123	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_123	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_123	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_123	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_123	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_123	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_123	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_123	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_123	Cl[Hg]c1ccccc1	C100561
MACCS_123	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_123	O=[As]c1ccccc1	C637036
MACCS_123	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_123	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_123	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_123	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_123	Cl[Sb](Cl)Cl	C10025919
MACCS_123	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_123	Cl[Au](Cl)Cl	C13453071
MACCS_123	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_123	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_123	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_123	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_123	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_123	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_123	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_123	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_123	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_123	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_123	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_123	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_123	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_123	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_123	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_123	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_123	NNC(=O)OCc1ccccc1	C5331431
MACCS_123	c1(SSc2cccs2)cccs1	C6911519
MACCS_123	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_123	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_123	Cl[In](Cl)Cl.O.O	C143983919
MACCS_123	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_123	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_125	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_125	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_125	CC(=O)OCc1ccccc1	C140114
MACCS_125	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_125	ClCOC	C107302
MACCS_125	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_125	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_125	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_125	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_125	C=CCc1ccc(cc1)OC	C140670
MACCS_125	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_125	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_125	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_125	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_125	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_125	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_125	COc1ccc(cc1)O	C150765
MACCS_125	NC(=O)OC	C598550
MACCS_125	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_125	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_125	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_125	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_125	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_125	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_125	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_125	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_125	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_125	O=P(OC)(OC)OC	C512561
MACCS_125	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_125	OCCOCCOCCOCCCC	C143226
MACCS_125	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_125	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_125	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_125	c1ccccc1Oc1ccccc1	C101848
MACCS_125	CCOC(=O)CC(=O)OCC	C105533
MACCS_125	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_125	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_125	CCCCCC(=O)OCC	C123660
MACCS_125	COc1ccc(OC)cc1	C150787
MACCS_125	O=C(OC(C)(C)C)C	C540885
MACCS_125	C=CC(=O)OCCO	C818611
MACCS_125	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_125	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_125	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_125	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_125	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_125	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_125	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_125	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_125	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_125	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_125	c1cccc(OC)c1O	C90051
MACCS_125	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_125	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_125	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_125	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_125	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_125	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_125	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_125	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_125	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_125	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_125	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_125	CC(O)COC	C107982
MACCS_125	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_125	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_125	O=C(OCCCC)C=C	C141322
MACCS_125	C(OCCCC)C1CO1	C2426086
MACCS_125	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_125	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_125	O=C(OCC)c1c(N)cccc1	C87252
MACCS_125	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_125	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_125	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_125	O(C(C)C)C(=O)C	C108214
MACCS_125	O(c1ccc(N)cc1)CC	C156434
MACCS_125	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_125	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_125	O=P(OCC)(OCC)OCC	C78400
MACCS_125	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_125	ClCCOP(OCCCl)OCCCl	C140089
MACCS_125	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_125	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_125	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_125	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_125	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_125	O=C(C)OCC(CC)CCCC	C103093
MACCS_125	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_125	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_125	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_125	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_125	O=C(OC)CCCCCCCCC	C110429
MACCS_125	O=C(C)OCCOC(=O)C	C111557
MACCS_125	O=C(C)OCCOCCCC	C112072
MACCS_125	OCCOCCOCCOC	C112356
MACCS_125	OCCOCCOCCOCCO	C112607
MACCS_125	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_125	O=Cc1ccc(OC)cc1	C123115
MACCS_125	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_125	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_125	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_125	O=COC(C)C	C625558
MACCS_125	OC(C)COc1ccccc1	C770354
MACCS_125	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_125	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_125	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_125	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_125	OCCOCCOCCOCCOCCCC	C1559348
MACCS_125	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_125	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_125	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_125	OCCOCCC	C2807309
MACCS_125	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_125	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_125	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_125	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_125	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_125	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_125	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_125	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_125	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_125	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_125	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_125	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_125	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_125	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_125	OC(C)COCCC	C1569013
MACCS_125	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_125	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_125	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_125	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_125	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_125	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_125	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_125	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_125	OC(OCCCC)CC	C29387868
MACCS_125	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_125	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_125	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_125	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_125	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_125	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_125	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_125	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_125	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_125	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_125	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_125	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_125	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_125	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_125	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_125	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_125	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_125	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_125	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_125	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_125	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_125	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_125	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_125	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_125	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_125	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_125	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_125	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_125	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_125	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_125	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_125	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_125	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_125	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_125	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_125	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_125	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_125	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_125	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_125	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_125	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_125	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_125	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_125	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_125	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_125	O=C(CC)OCC	C105373
MACCS_125	O=C(CBr)OCc1ccccc1	C5437456
MACCS_125	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_125	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_125	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_125	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_125	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_125	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_125	O=C(OCC)c1c(C)cccc1	C87241
MACCS_125	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_125	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_125	CC(O)COCC	C1569024
MACCS_125	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_125	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_125	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_125	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_125	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_125	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_125	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_125	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_125	O=C(C)OCC/C=C\CC	C3681718
MACCS_125	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_125	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_125	O=C(CCC)OCCCCC	C540181
MACCS_125	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_125	O=C(C)OC(C)c1ccccc1	C93925
MACCS_125	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_125	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_125	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_125	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_125	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_125	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_125	OP(OCC)OCC	C762049
MACCS_125	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_125	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_125	OCCOCC(CC)CCCC	C1559359
MACCS_125	CCOC(OCC)OCC	C122510
MACCS_125	CCO[Si](OCC)(OCC)CC	C78079
MACCS_125	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_125	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_125	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_125	O=C(CCC)OCCCCCCC	C5870939
MACCS_125	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_125	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_125	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_125	OC(C)C(=O)OCCCC	C138227
MACCS_125	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_125	Oc1c(OCC)cccc1	C94713
MACCS_125	COc1ccc(CCC)cc1	C104450
MACCS_125	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_125	CO[Si](C)(C)OC	C1112396
MACCS_125	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_125	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_125	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_125	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_125	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_125	CCO[Si](OCC)(C)OCC	C2031676
MACCS_125	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_125	CO[Si](OC)(CCC)OC	C1067250
MACCS_125	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_125	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_125	O=C(C)OCCCCCCCC	C112141
MACCS_125	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_125	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_125	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_125	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_125	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_125	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_125	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_125	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_125	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_125	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_125	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_125	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_125	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_125	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_125	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_125	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_125	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_125	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_125	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_125	OCCOCC(C)OCCO	C9003116
MACCS_125	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_125	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_125	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_125	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_125	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_125	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_125	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_125	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_125	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_125	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_125	Nc1ccc(cc1)OCCCC	C4344552
MACCS_125	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_125	O=C(OC)c1c(C)cccc1	C89714
MACCS_125	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_125	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_125	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_125	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_125	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_125	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_125	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_125	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_125	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_125	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_125	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_125	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_125	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_125	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_125	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_125	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_125	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_125	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_125	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_125	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_125	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_125	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_125	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_125	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_125	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_125	c1ccccc1OCCO	C122996
MACCS_125	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_125	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_125	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_125	CSC(=NOC(=O)NC)C	C16752775
MACCS_125	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_125	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_125	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_125	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_125	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_125	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_125	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_125	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_125	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_125	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_125	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_125	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_125	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_125	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_125	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_125	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_125	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_125	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_125	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_125	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_125	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_125	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_125	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_125	NP(=O)(OC)SC	C10265926
MACCS_125	OCCOC	C109864
MACCS_125	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_125	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_125	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_125	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_125	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_125	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_125	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_125	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_125	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_125	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_125	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_125	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_125	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_125	O=C(NCCCC)OCC#CI	C55406536
MACCS_125	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_125	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_125	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_125	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_125	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_125	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_125	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_125	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_125	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_125	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_125	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_125	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_125	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_125	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_125	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_125	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_125	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_125	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_125	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_125	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_125	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_125	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_125	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_125	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_125	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_125	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_125	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_125	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_125	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_125	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_125	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_125	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_125	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_125	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_125	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_125	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_125	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_125	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_125	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_125	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_125	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_125	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_125	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_125	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_125	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_125	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_125	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_125	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_125	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_125	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_125	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_125	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_125	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_125	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_125	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_125	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_125	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_125	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_125	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_125	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_125	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_125	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_125	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_125	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_125	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_125	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_125	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_125	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_125	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_125	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_125	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_125	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_125	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_125	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_125	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_125	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_125	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_125	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_125	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_125	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_125	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_125	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_125	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_125	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_125	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_125	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_125	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_125	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_125	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_125	ClCCOCCCl	C111444
MACCS_125	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_125	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_125	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_125	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_125	Nc1cc(ccc1OC)C	C120718
MACCS_125	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_125	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_125	OCCOCCO	C111466
MACCS_125	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_125	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_125	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_125	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_125	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_125	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_125	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_125	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_125	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_125	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_125	CS(=O)(=O)OC	C66273
MACCS_125	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_125	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_125	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_125	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_125	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_125	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_125	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_125	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_125	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_125	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_125	OCCOCCOCCO	C112276
MACCS_125	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_125	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_125	NC(=O)OCC	C51796
MACCS_125	CCCCOCCOCCO	C112345
MACCS_125	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_125	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_125	CC(=O)OCCOCC	C111159
MACCS_125	CCOCCOCCO	C111900
MACCS_125	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_125	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_125	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_125	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_125	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_125	Oc1ccc(C=CC)cc1OC	C97541
MACCS_125	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_125	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_125	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_125	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_125	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_125	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_125	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_125	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_125	Nc1c(OC)cccc1	C90040
MACCS_125	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_125	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_125	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_125	O=S(=O)(OCC)OCC	C64675
MACCS_125	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_125	O=S(=O)(OC)OC	C77781
MACCS_125	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_125	CCOCCO	C110805
MACCS_125	CCCCOCCO	C111762
MACCS_125	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_125	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_125	OCCOCCOCCOCC	C112505
MACCS_125	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_125	O(CCOC)CCOC	C111966
MACCS_125	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_125	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_125	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_125	O(O)C(c1ccccc1)(C)C	C80159
MACCS_125	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_125	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_125	O(CCOC)CCO	C111773
MACCS_125	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_125	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_125	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_125	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_125	COC(=O)CCCC(=O)OC	C1119400
MACCS_125	C(=O)(OC)CCC(=O)OC	C106650
MACCS_125	C(CC(C)C)OC(=O)C	C123922
MACCS_125	O=C(OC)c1c(N)cccc1	C134203
MACCS_125	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_125	O=C(OC)c1c(O)cccc1	C119368
MACCS_125	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_125	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_125	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_125	C(OCCOC)COCCOC	C112492
MACCS_125	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_125	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_125	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_125	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_125	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_125	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_125	O=C(OC)CCCCCCC	C111115
MACCS_125	O=C(OC)CCCCCCCCCCC	C111820
MACCS_125	OCCOCCCCCC	C112254
MACCS_125	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_125	O=C(C)OCCCCC	C628637
MACCS_125	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_125	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_125	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_125	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_125	OC(OC(O)CC)CC	C25265718
MACCS_125	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_125	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_125	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_125	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_125	OC(OCCCOC)CC	C34590948
MACCS_125	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_125	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_125	O=C(OC)CC(=O)OC	C108598
MACCS_125	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_125	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_125	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_125	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_125	S=P(OCC)(OCC)SCSCC	C298022
MACCS_125	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_125	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_125	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_125	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_125	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_125	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_125	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_125	O=C(OCC)CCC(=O)OCC	C123251
MACCS_125	O=C(CCC)OCC	C105544
MACCS_125	O=C(OCC)CCCCCC	C106309
MACCS_125	O=C(OCCCC)c1ccccc1	C136607
MACCS_125	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_125	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_125	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_125	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_125	O=C(CCC)OCCC(C)C	C106274
MACCS_125	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_125	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_125	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_125	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_125	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_125	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_125	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_125	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_125	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_125	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_125	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_125	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_125	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_125	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_125	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_125	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_125	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_125	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_125	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_125	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_125	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_125	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_125	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_125	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_125	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_125	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_125	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_125	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_125	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_125	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_125	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_125	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_125	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_125	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_125	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_125	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_125	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_125	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_125	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_125	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_125	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_125	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_125	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_125	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_125	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_125	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_125	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_125	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_125	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_125	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_125	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_125	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_125	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_125	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_125	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_125	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_125	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_125	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_125	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_125	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_125	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_125	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_125	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_125	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_125	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_125	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_125	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_125	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_125	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_125	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_125	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_125	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_125	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_125	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_125	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_125	NCCOCCOCCN	C929599
MACCS_125	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_125	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_125	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_125	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_125	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_125	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_125	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_125	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_125	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_125	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_125	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_125	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_125	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_125	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_125	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_125	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_125	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_125	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_125	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_125	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_125	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_125	OCCC(OC)C	C2517433
MACCS_125	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_125	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_125	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_125	O=COCC	C109944
MACCS_125	O=C(OCC)c1ccccc1	C93890
MACCS_125	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_125	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_125	CC(=O)OCC	C141786
MACCS_125	CC(=O)OCCCC	C123864
MACCS_125	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_125	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_125	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_125	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_125	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_125	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_125	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_125	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_125	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_125	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_125	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_125	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_125	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_125	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_125	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_125	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_125	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_125	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_125	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_125	Nc1ccc(OC)cc1	C104949
MACCS_125	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_125	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_125	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_125	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_125	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_125	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_125	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_125	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_125	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_125	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_125	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_125	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_125	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_125	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_125	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_125	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_125	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_125	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_125	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_125	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_125	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_125	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_125	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_125	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_125	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_125	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_125	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_125	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_125	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_125	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_125	O=P(OCCCC)(O)OCCCC	C107664
MACCS_125	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_125	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_125	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_125	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_125	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_125	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_125	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_125	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_125	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_125	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_125	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_125	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_125	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_125	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_125	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_125	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_125	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_125	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_125	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_125	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_125	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_125	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_125	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_125	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_125	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_125	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_125	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_125	O=C(OC)CCCC(=O)O	C1501275
MACCS_125	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_125	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_125	O=C(OCCCCO)C=C	C2478106
MACCS_125	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_125	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_125	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_125	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_125	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_125	NCCCOCCCCCCCC	C15930662
MACCS_125	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_125	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_125	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_125	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_125	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_125	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_125	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_125	COC(OC)C(C)c1ccccc1	C90879
MACCS_125	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_125	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_125	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_125	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_125	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_125	CC/C=C\CCOC(OCC)C	C28069741
MACCS_125	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_125	NNC(=O)OCc1ccccc1	C5331431
MACCS_125	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_125	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_125	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_125	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_125	O=COCc1ccc(OC)cc1	C122918
MACCS_126	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_126	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_126	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_126	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_126	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_126	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_126	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_126	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_126	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_126	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_126	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_126	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_126	O=C1CCCCC1	C108941
MACCS_126	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_126	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_126	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_126	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_126	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_126	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_126	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_126	C=CCc1ccc(cc1)OC	C140670
MACCS_126	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_126	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_126	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_126	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_126	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_126	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_126	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_126	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_126	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_126	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_126	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_126	COc1ccc(cc1)O	C150765
MACCS_126	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_126	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_126	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_126	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_126	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_126	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_126	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_126	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_126	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_126	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_126	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_126	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_126	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_126	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_126	c1(O)ccccc1C(=O)N	C65452
MACCS_126	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_126	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_126	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_126	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_126	O=Cc1ccccc1O	C90028
MACCS_126	Oc1cccc2ccccc12	C90153
MACCS_126	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_126	c1ccccc1Oc1ccccc1	C101848
MACCS_126	Oc1ccc(Cl)cc1	C106489
MACCS_126	C1CCCCC1O	C108930
MACCS_126	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_126	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_126	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_126	Oc1ccc(CC)cc1	C123079
MACCS_126	COc1ccc(OC)cc1	C150787
MACCS_126	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_126	Oc1ccc(CCC)cc1	C645567
MACCS_126	CCCCCCC1OC(=O)CC1	C706149
MACCS_126	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_126	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_126	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_126	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_126	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_126	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_126	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_126	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_126	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_126	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_126	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_126	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_126	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_126	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_126	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_126	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_126	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_126	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_126	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_126	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_126	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_126	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_126	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_126	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_126	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_126	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_126	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_126	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_126	c1(c(CC)cccc1)O	C90006
MACCS_126	c1c(O)cccc1CC	C620177
MACCS_126	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_126	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_126	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_126	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_126	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_126	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_126	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_126	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_126	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_126	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_126	c1cccc(OC)c1O	C90051
MACCS_126	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_126	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_126	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_126	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_126	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_126	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_126	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_126	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_126	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_126	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_126	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_126	Cc1cc(O)ccc1	C108394
MACCS_126	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_126	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_126	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_126	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_126	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_126	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_126	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_126	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_126	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_126	Oc1cc(Cl)ccc1Cl	C583788
MACCS_126	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_126	N(C)(C)c1cccc(O)c1	C99070
MACCS_126	Cc1c(C)cccc1O	C526750
MACCS_126	Cc1cc(C)cc(O)c1	C108689
MACCS_126	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_126	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_126	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_126	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_126	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_126	O(c1ccc(N)cc1)CC	C156434
MACCS_126	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_126	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_126	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_126	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_126	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_126	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_126	O=C(O)c1ccccc1O	C69727
MACCS_126	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_126	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_126	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_126	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_126	O=C(O)c1ccc(O)cc1	C99967
MACCS_126	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_126	O=C1OCC(C)O1	C108327
MACCS_126	O=Cc1ccc(OC)cc1	C123115
MACCS_126	Oc1ccc2ccccc2c1	C135193
MACCS_126	[O-]c1ccccc1.[Na+]	C139026
MACCS_126	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_126	O=C1NCCC1	C616455
MACCS_126	OC(C)COc1ccccc1	C770354
MACCS_126	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_126	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_126	OC1CCCCCCCCCCC1	C1724396
MACCS_126	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_126	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_126	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_126	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_126	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_126	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_126	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_126	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_126	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_126	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_126	O=C(c1ccc(O)cc1)C	C99934
MACCS_126	O=C1CCCC1	C120923
MACCS_126	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_126	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_126	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_126	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_126	OC1CC(CCC1C(C)C)C	C1490046
MACCS_126	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_126	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_126	O=C1NC2NC(=O)NC2N1	C496468
MACCS_126	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_126	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_126	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_126	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_126	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_126	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_126	Clc1c(Cl)ssc1=O	C1192525
MACCS_126	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_126	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_126	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_126	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_126	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_126	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_126	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_126	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_126	OC1CCCC1	C96413
MACCS_126	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_126	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_126	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_126	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_126	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_126	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_126	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_126	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_126	O=C1OC(CCCCC)CC1	C104610
MACCS_126	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_126	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_126	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_126	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_126	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_126	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_126	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_126	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_126	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_126	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_126	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_126	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_126	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_126	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_126	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_126	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_126	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_126	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_126	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_126	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_126	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_126	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_126	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_126	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_126	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_126	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_126	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_126	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_126	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_126	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_126	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_126	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_126	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_126	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_126	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_126	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_126	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_126	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_126	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_126	O=C(c1ccccc1O)C	C118934
MACCS_126	O=C1OCC(CC)O1	C4437858
MACCS_126	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_126	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_126	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_126	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_126	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_126	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_126	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_126	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_126	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_126	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_126	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_126	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_126	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_126	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_126	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_126	Oc1ccccc1CN(C)C	C120650
MACCS_126	O=C1CCC(O1)CC	C695067
MACCS_126	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_126	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_126	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_126	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_126	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_126	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_126	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_126	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_126	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_126	O=c1ccoc(CC)c1O	C4940118
MACCS_126	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_126	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_126	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_126	N#Cc1c(O)cccc1	C611201
MACCS_126	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_126	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_126	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_126	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_126	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_126	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_126	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_126	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_126	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_126	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_126	OC1CC(C)(C)CC(C)C1	C116029
MACCS_126	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_126	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_126	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_126	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_126	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_126	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_126	Oc1cc(C(C)C)ccc1C	C499752
MACCS_126	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_126	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_126	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_126	Oc1c(OCC)cccc1	C94713
MACCS_126	Oc1ccc(C(C)C)cc1	C99898
MACCS_126	COc1ccc(CCC)cc1	C104450
MACCS_126	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_126	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_126	Oc1c(C(C)C)cccc1	C88697
MACCS_126	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_126	Oc1cc(C(C)C)ccc1	C618451
MACCS_126	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_126	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_126	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_126	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_126	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_126	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_126	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_126	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_126	Oc1ccc(CCCC)cc1	C1638228
MACCS_126	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_126	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_126	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_126	O=C1OC(CCC)CC1	C105215
MACCS_126	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_126	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_126	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_126	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_126	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_126	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_126	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_126	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_126	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_126	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_126	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_126	O=C1CCC(CCC)CC1	C40649363
MACCS_126	Nc1ccc(cc1)OCCCC	C4344552
MACCS_126	OC1CCC(CCCC)CC1	C70568604
MACCS_126	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_126	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_126	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_126	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_126	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_126	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_126	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_126	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_126	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_126	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_126	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_126	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_126	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_126	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_126	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_126	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_126	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_126	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_126	Oc1c(cccc1)c1ccccc1	C90437
MACCS_126	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_126	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_126	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_126	c1ccccc1OCCO	C122996
MACCS_126	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_126	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_126	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_126	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_126	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_126	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_126	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_126	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_126	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_126	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_126	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_126	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_126	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_126	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_126	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_126	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_126	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_126	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_126	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_126	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_126	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_126	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_126	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_126	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_126	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_126	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_126	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_126	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_126	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_126	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_126	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_126	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_126	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_126	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_126	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_126	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_126	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_126	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_126	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_126	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_126	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_126	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_126	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_126	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_126	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_126	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_126	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_126	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_126	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_126	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_126	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_126	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_126	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_126	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_126	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_126	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_126	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_126	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_126	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_126	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_126	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_126	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_126	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_126	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_126	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_126	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_126	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_126	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_126	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_126	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_126	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_126	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_126	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_126	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_126	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_126	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_126	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_126	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_126	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_126	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_126	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_126	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_126	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_126	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_126	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_126	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_126	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_126	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_126	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_126	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_126	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_126	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_126	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_126	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_126	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_126	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_126	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_126	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_126	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_126	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_126	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_126	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_126	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_126	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_126	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_126	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_126	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_126	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_126	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_126	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_126	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_126	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_126	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_126	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_126	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_126	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_126	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_126	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_126	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_126	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_126	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_126	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_126	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_126	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_126	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_126	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_126	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_126	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_126	O=C1CCCO1	C96480
MACCS_126	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_126	O=C1CCCCCN1	C105602
MACCS_126	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_126	Oc1c(cccc1)O	C120809
MACCS_126	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_126	O=c1oc2c(cccc2)cc1	C91645
MACCS_126	Nc1cc(ccc1OC)C	C120718
MACCS_126	Clc1c(ccc(c1)Cl)O	C120832
MACCS_126	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_126	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_126	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_126	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_126	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_126	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_126	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_126	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_126	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_126	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_126	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_126	Oc1ccc(cc1)O	C123319
MACCS_126	Oc1cccc2cccnc12	C148243
MACCS_126	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_126	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_126	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_126	O=C1N(CCC1)C	C872504
MACCS_126	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_126	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_126	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_126	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_126	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_126	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_126	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_126	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_126	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_126	Oc1ccccc1	C108952
MACCS_126	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_126	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_126	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_126	O=S1(=O)CCCO1	C1120714
MACCS_126	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_126	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_126	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_126	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_126	Oc1cc(ccc1)O	C108463
MACCS_126	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_126	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_126	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_126	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_126	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_126	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_126	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_126	O=C1N(C=C)CCC1	C88120
MACCS_126	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_126	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_126	Oc1ccccc1Cl	C95578
MACCS_126	Oc1cc(C)c(Cl)cc1	C59507
MACCS_126	CC1(C)NC(=O)NC1=O	C77714
MACCS_126	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_126	Oc1c(C)cccc1	C95487
MACCS_126	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_126	Oc1c(C)cc(C)cc1	C105679
MACCS_126	Oc1ccc(C)cc1	C106445
MACCS_126	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_126	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_126	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_126	Oc1c(C)cc(C)cc1C	C527606
MACCS_126	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_126	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_126	Oc1c(C)c(C)ccc1C	C2416946
MACCS_126	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_126	c1(c(O)cccc1)C(CC)C	C89725
MACCS_126	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_126	Oc1ccc(C=CC)cc1OC	C97541
MACCS_126	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_126	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_126	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_126	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_126	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_126	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_126	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_126	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_126	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_126	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_126	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_126	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_126	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_126	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_126	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_126	Nc1c(OC)cccc1	C90040
MACCS_126	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_126	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_126	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_126	Oc1cc(C)c(C)cc1	C95658
MACCS_126	Oc1c(cccc1C)C	C576261
MACCS_126	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_126	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_126	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_126	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_126	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_126	Oc1c(ccc(N)c1)C	C2835952
MACCS_126	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_126	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_126	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_126	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_126	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_126	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_126	Oc1c(ccc(C)c1)C	C95874
MACCS_126	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_126	o1c(C)c(O)c(=O)cc1	C118718
MACCS_126	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_126	O=C(OC)c1c(O)cccc1	C119368
MACCS_126	O=c1ccsn1CCCCCCCC	C26530201
MACCS_126	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_126	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_126	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_126	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_126	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_126	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_126	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_126	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_126	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_126	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_126	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_126	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_126	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_126	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_126	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_126	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_126	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_126	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_126	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_126	O=c1[nH]sc2c1cccc2	C2634335
MACCS_126	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_126	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_126	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_126	O=c1n(C)sc(Cl)c1	C26172554
MACCS_126	O=C1CCC(O1)CCCCCCC	C104676
MACCS_126	Oc1cc(C)ccc1C(C)C	C89838
MACCS_126	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_126	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_126	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_126	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_126	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_126	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_126	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_126	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_126	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_126	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_126	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_126	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_126	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_126	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_126	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_126	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_126	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_126	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_126	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_126	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_126	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_126	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_126	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_126	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_126	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_126	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_126	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_126	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_126	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_126	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_126	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_126	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_126	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_126	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_126	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_126	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_126	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_126	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_126	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_126	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_126	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_126	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_126	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_126	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_126	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_126	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_126	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_126	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_126	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_126	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_126	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_126	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_126	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_126	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_126	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_126	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_126	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_126	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_126	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_126	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_126	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_126	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_126	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_126	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_126	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_126	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_126	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_126	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_126	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_126	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_126	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_126	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_126	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_126	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_126	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_126	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_126	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_126	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_126	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_126	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_126	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_126	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_126	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_126	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_126	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_126	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_126	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_126	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_126	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_126	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_126	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_126	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_126	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_126	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_126	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_126	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_126	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_126	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_126	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_126	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_126	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_126	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_126	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_126	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_126	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_126	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_126	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_126	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_126	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_126	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_126	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_126	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_126	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_126	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_126	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_126	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_126	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_126	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_126	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_126	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_126	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_126	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_126	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_126	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_126	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_126	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_126	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_126	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_126	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_126	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_126	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_126	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_126	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_126	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_126	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_126	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_126	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_126	CC1CC(=O)O1	C3068880
MACCS_126	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_126	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_126	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_126	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_126	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_126	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_126	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_126	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_126	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_126	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_126	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_126	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_126	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_126	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_126	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_126	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_126	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_126	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_126	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_126	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_126	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_126	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_126	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_126	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_126	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_126	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_126	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_126	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_126	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_126	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_126	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_126	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_126	Nc1ccc(OC)cc1	C104949
MACCS_126	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_126	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_126	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_126	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_126	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_126	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_126	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_126	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_126	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_126	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_126	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_126	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_126	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_126	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_126	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_126	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_126	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_126	O=c1cc(C)o[nH]1	C10004441
MACCS_126	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_126	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_126	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_126	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_126	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_126	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_126	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_126	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_126	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_126	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_126	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_126	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_126	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_126	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_126	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_126	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_126	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_126	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_126	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_126	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_126	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_126	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_126	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_126	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_126	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_126	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_126	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_126	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_126	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_126	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_126	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_126	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_126	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_126	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_126	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_126	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_126	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_126	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_126	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_126	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_126	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_126	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_126	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_126	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_126	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_126	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_126	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_126	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_126	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_126	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_126	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_126	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_126	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_126	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_126	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_126	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_126	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_126	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_126	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_126	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_126	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_126	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_126	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_126	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_126	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_126	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_126	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_126	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_126	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_126	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_126	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_126	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_126	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_126	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_126	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_126	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_126	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_126	O=COCc1ccc(OC)cc1	C122918
MACCS_126	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_127	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_127	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_127	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_127	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_127	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_127	S=C(NCC)NCC	C105555
MACCS_127	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_127	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_127	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_127	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_127	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_127	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_127	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_127	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_127	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_127	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_127	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_127	OCCOCCOCCOCCCC	C143226
MACCS_127	CCCCCCCCCC=O	C112312
MACCS_127	CCCCCCCCCCCC(=O)O	C143077
MACCS_127	O=CCCCCCC	C111717
MACCS_127	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_127	CCCCCCCCC=O	C124196
MACCS_127	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_127	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_127	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_127	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_127	OCCN1CCNCC1	C103764
MACCS_127	CCCCCCO	C111273
MACCS_127	CCCCCCCO	C111706
MACCS_127	CCCCCCCCCC(=O)C	C112129
MACCS_127	CCCCCC(=O)OCC	C123660
MACCS_127	CCCCCCCCCCCCN	C124221
MACCS_127	NCCN1CCNCC1	C140318
MACCS_127	CCCCCCCCCO	C143088
MACCS_127	CCCCCCC1OC(=O)CC1	C706149
MACCS_127	CC/C=C\CCO	C928961
MACCS_127	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_127	CCCCCCCCCCN	C2016571
MACCS_127	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_127	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_127	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_127	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_127	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_127	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_127	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_127	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_127	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_127	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_127	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_127	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_127	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_127	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_127	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_127	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_127	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_127	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_127	C(OCCCC)C1CO1	C2426086
MACCS_127	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_127	C(CCN)CCCN	C124094
MACCS_127	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_127	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_127	N(CCN)CCN	C111400
MACCS_127	OCNC(=O)NCO	C140954
MACCS_127	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_127	C(CCCCCC)CCCCCS	C112550
MACCS_127	C(CC)(C=O)CCCC	C123057
MACCS_127	OCC(C(O)CCC)CC	C94962
MACCS_127	CCC(=CCCC)C=O	C645625
MACCS_127	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_127	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_127	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_127	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_127	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_127	C(CCCCCCC)C	C111842
MACCS_127	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_127	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_127	O=P(OCC)(OCC)OCC	C78400
MACCS_127	ClCCOP(OCCCl)OCCCl	C140089
MACCS_127	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_127	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_127	O=C(C)OCC(CC)CCCC	C103093
MACCS_127	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_127	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_127	O=C(OC)CCCCCCCCC	C110429
MACCS_127	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_127	N1CCCCCC1	C111499
MACCS_127	O=C(C)OCCOCCCC	C112072
MACCS_127	CCCCCCCCCCCCN(C)C	C112185
MACCS_127	OCCOCCOCCOC	C112356
MACCS_127	OCCOCCOCCOCCO	C112607
MACCS_127	OC(CCCCCC)C	C123966
MACCS_127	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_127	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_127	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_127	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_127	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_127	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_127	O=C(N(C)C)CCCCCCC	C1118929
MACCS_127	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_127	OCCOCCOCCOCCOCCCC	C1559348
MACCS_127	OC1CCCCCCCCCCC1	C1724396
MACCS_127	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_127	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_127	OCCOCCC	C2807309
MACCS_127	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_127	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_127	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_127	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_127	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_127	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_127	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_127	SC(C)(C)CCCCCC	C25360105
MACCS_127	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_127	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_127	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_127	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_127	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_127	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_127	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_127	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_127	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_127	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_127	OC(CCCC(C)C)(C)CC	C78693
MACCS_127	OCC1OCCC1	C97994
MACCS_127	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_127	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_127	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_127	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_127	OCC(CCC)CCCCC	C10042598
MACCS_127	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_127	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_127	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_127	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_127	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_127	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_127	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_127	OC(OCCCC)CC	C29387868
MACCS_127	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_127	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_127	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_127	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_127	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_127	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_127	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_127	OCCSCCCCCCCC	C3547339
MACCS_127	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_127	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_127	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_127	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_127	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_127	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_127	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_127	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_127	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_127	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_127	O=C1OC(CCCCC)CC1	C104610
MACCS_127	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_127	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_127	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_127	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_127	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_127	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_127	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_127	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_127	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_127	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_127	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_127	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_127	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_127	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_127	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_127	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_127	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_127	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_127	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_127	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_127	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_127	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_127	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_127	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_127	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_127	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_127	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_127	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_127	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_127	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_127	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_127	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_127	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_127	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_127	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_127	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_127	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_127	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_127	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_127	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_127	O=C1CCC(O1)CC	C695067
MACCS_127	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_127	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_127	O=C(C)OCC/C=C\CC	C3681718
MACCS_127	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_127	O=CCC/C=C\CCCCC	C21662099
MACCS_127	NCCCN1CCOCC1	C123002
MACCS_127	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_127	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_127	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_127	O=C(CCC)OCCCCC	C540181
MACCS_127	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_127	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_127	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_127	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_127	OP(OCC)OCC	C762049
MACCS_127	OCCOCC(CC)CCCC	C1559359
MACCS_127	O=C(CC)CCCCC	C106683
MACCS_127	OCCN(CC)CCO	C139877
MACCS_127	CCOC(OCC)OCC	C122510
MACCS_127	CCO[Si](OCC)(OCC)CC	C78079
MACCS_127	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_127	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_127	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_127	O=C(CCC)OCCCCCCC	C5870939
MACCS_127	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_127	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_127	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_127	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_127	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_127	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_127	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_127	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_127	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_127	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_127	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_127	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_127	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_127	CCO[Si](OCC)(C)OCC	C2031676
MACCS_127	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_127	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_127	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_127	O=C(C)OCCCCCCCC	C112141
MACCS_127	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_127	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_127	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_127	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_127	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_127	OCC(CCCC)CCCCCC	C3913028
MACCS_127	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_127	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_127	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_127	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_127	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_127	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_127	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_127	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_127	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_127	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_127	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_127	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_127	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_127	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_127	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_127	OCCOCC(C)OCCO	C9003116
MACCS_127	O=C1OC(CCC)CC1	C105215
MACCS_127	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_127	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_127	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_127	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_127	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_127	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_127	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_127	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_127	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_127	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_127	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_127	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_127	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_127	O=C1CCC(CCC)CC1	C40649363
MACCS_127	OC1CCC(CCCC)CC1	C70568604
MACCS_127	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_127	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_127	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_127	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_127	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_127	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_127	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_127	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_127	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_127	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_127	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_127	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_127	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_127	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_127	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_127	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_127	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_127	CCCN(CCC)C(=O)SCC	C759944
MACCS_127	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_127	O=C(SCC)N1CCCCCC1	C2212671
MACCS_127	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_127	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_127	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_127	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_127	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_127	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_127	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_127	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_127	O=C(NCCCC)OCC#CI	C55406536
MACCS_127	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_127	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_127	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_127	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_127	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_127	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_127	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_127	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_127	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_127	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_127	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_127	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_127	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_127	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_127	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_127	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_127	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_127	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_127	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_127	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_127	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_127	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_127	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_127	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_127	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_127	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_127	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_127	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_127	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_127	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_127	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_127	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_127	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_127	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_127	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_127	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_127	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_127	ClCCOCCCl	C111444
MACCS_127	O=C1CCCCCN1	C105602
MACCS_127	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_127	OCCOCCO	C111466
MACCS_127	O1C2C1CCC(C2)C1CO1	C106876
MACCS_127	CCC(CCCC)CO	C104767
MACCS_127	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_127	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_127	C1N2CN3CN(C2)CN1C3	C100970
MACCS_127	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_127	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_127	O=NN(CCCC)CCCC	C924163
MACCS_127	O=NN(CCC)CCC	C621647
MACCS_127	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_127	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_127	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_127	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_127	OCCN(CCO)CCO	C102716
MACCS_127	OCCOCCOCCO	C112276
MACCS_127	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_127	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_127	CCCCOCCOCCO	C112345
MACCS_127	CCCCCCCCCC(=O)O	C334485
MACCS_127	O=C(O)CCCCCC	C111148
MACCS_127	CCCCCCCCC(=O)O	C112050
MACCS_127	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_127	CCCCCCCC=O	C124130
MACCS_127	CCCCCCCC(=O)O	C124072
MACCS_127	CCCCCCCCCCC	C1120214
MACCS_127	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_127	OCCNCCO	C111422
MACCS_127	CCCCCCCCO	C111875
MACCS_127	CCOCCOCCO	C111900
MACCS_127	CCCCCCCCCCO	C112301
MACCS_127	CCCCCCCCCCCCCO	C112709
MACCS_127	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_127	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_127	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_127	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_127	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_127	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_127	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_127	C(=O)(O)C(CCC)CCC	C99661
MACCS_127	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_127	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_127	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_127	O=S(=O)(OCC)OCC	C64675
MACCS_127	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_127	CCCCOCCO	C111762
MACCS_127	O=C=NCCCCCCN=C=O	C822060
MACCS_127	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_127	OCCOCCOCCOCC	C112505
MACCS_127	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_127	O(CCOC)CCOC	C111966
MACCS_127	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_127	C(CCCCCCCC)C	C124185
MACCS_127	O(CCOC)CCO	C111773
MACCS_127	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_127	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_127	O=C(O)C(CCCC)CC	C149575
MACCS_127	O=c1ccsn1CCCCCCCC	C26530201
MACCS_127	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_127	N(CCCC)(CCCC)CCCC	C102829
MACCS_127	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_127	C(OCCOC)COCCOC	C112492
MACCS_127	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_127	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_127	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_127	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_127	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_127	OCCC(C)CCC=C(C)C	C106229
MACCS_127	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_127	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_127	O=C(OC)CCCCCCC	C111115
MACCS_127	O=C(OC)CCCCCCCCCCC	C111820
MACCS_127	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_127	OCCOCCCCCC	C112254
MACCS_127	OCCCCCCCCCCC	C112425
MACCS_127	OCCCCCCCCCCCC	C112538
MACCS_127	OCCCCCCCCCCCCCC	C112721
MACCS_127	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_127	CCCCCCCCCCCCCCCC	C544763
MACCS_127	Nc1c(CC)cccc1CC	C579668
MACCS_127	CCCCCCCCCCCCCCC	C629629
MACCS_127	OCCCCCCCCCCCCCCC	C629765
MACCS_127	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_127	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_127	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_127	C1=CCCC=CCCC=CCC1	C4904614
MACCS_127	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_127	OC(OC(O)CC)CC	C25265718
MACCS_127	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_127	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_127	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_127	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_127	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_127	OC(OCCCOC)CC	C34590948
MACCS_127	OCCCCCCCCCCCCCCCC	C36653824
MACCS_127	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_127	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_127	CCC12N(COC1)COC2	C7747355
MACCS_127	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_127	S=P(OCC)(OCC)SCSCC	C298022
MACCS_127	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_127	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_127	O=C1CCC(O1)CCCCCCC	C104676
MACCS_127	O=C(O)CCCCCCCCC=C	C112389
MACCS_127	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_127	CCCCCCCCN(C)C	C7378996
MACCS_127	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_127	O=C(OCC)CCC(=O)OCC	C123251
MACCS_127	O=C(CCC)OCC	C105544
MACCS_127	O=C(OCC)CCCCCC	C106309
MACCS_127	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_127	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_127	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_127	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_127	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_127	O=C(CCC)OCCC(C)C	C106274
MACCS_127	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_127	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_127	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_127	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_127	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_127	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_127	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_127	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_127	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_127	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_127	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_127	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_127	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_127	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_127	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_127	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_127	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_127	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_127	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_127	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_127	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_127	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_127	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_127	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_127	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_127	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_127	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_127	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_127	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_127	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_127	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_127	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_127	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_127	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_127	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_127	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_127	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_127	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_127	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_127	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_127	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_127	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_127	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_127	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_127	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_127	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_127	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_127	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_127	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_127	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_127	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_127	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_127	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_127	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_127	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_127	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_127	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_127	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_127	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_127	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_127	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_127	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_127	C=CCCCCCCCCCCCC	C1120361
MACCS_127	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_127	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_127	OC(C(CC)CCCC)C#C	C5877429
MACCS_127	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_127	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_127	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_127	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_127	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_127	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_127	NCCOCCOCCN	C929599
MACCS_127	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_127	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_127	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_127	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_127	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_127	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_127	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_127	S=C(NCCCC)NCCCC	C109466
MACCS_127	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_127	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_127	NCc1cccc(CN)c1	C1477550
MACCS_127	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_127	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_127	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_127	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_127	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_127	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_127	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_127	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_127	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_127	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_127	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_127	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_127	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_127	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_127	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_127	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_127	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_127	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_127	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_127	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_127	ClC(=O)C(CC)CCCC	C760678
MACCS_127	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_127	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_127	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_127	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_127	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_127	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_127	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_127	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_127	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_127	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_127	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_127	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_127	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_127	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_127	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_127	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_127	O=CCCCCCCCCC=C	C112458
MACCS_127	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_127	O=P(OCCCC)(O)OCCCC	C107664
MACCS_127	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_127	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_127	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_127	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_127	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_127	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_127	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_127	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_127	N#CSCCCCCCCCCCCC	C765151
MACCS_127	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_127	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_127	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_127	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_127	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_127	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_127	O=C(O)CCSCCC(=O)O	C111171
MACCS_127	CCCCCCCCCCCCN.Cl	C929737
MACCS_127	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_127	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_127	BrCCCCCCCCCCCC	C143157
MACCS_127	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_127	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_127	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_127	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_127	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_127	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_127	NCCCOCCCCCCCC	C15930662
MACCS_127	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_127	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_127	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_127	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_127	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_127	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_127	O=C/C=C/CCCCCCC	C3913813
MACCS_127	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_127	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_127	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_127	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_127	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_127	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_127	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_127	CC/C=C\CCOC(OCC)C	C28069741
MACCS_127	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_127	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_127	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_127	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_127	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_127	CCCCCCCCCC(C)C=O	C110418
MACCS_128	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_128	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_128	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_128	O=C1CCCCC1	C108941
MACCS_128	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_128	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_128	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_128	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_128	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_128	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_128	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_128	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_128	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_128	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_128	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_128	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_128	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_128	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_128	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_128	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_128	OCCOCCOCCOCCCC	C143226
MACCS_128	CCCCCCCCCC=O	C112312
MACCS_128	CCCCCCCCCCCC(=O)O	C143077
MACCS_128	O=CCCCCCC	C111717
MACCS_128	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_128	CCCCCCCCC=O	C124196
MACCS_128	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_128	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_128	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_128	ON=C1CCCCC1	C100641
MACCS_128	OCCN1CCNCC1	C103764
MACCS_128	CCOC(=O)CC(=O)OCC	C105533
MACCS_128	C1CCCCC1O	C108930
MACCS_128	CCCCCC(=O)C	C110430
MACCS_128	C(O)C#CCO	C110656
MACCS_128	CCNCCO	C110736
MACCS_128	CCCCCCO	C111273
MACCS_128	CCCCCCCO	C111706
MACCS_128	CCCCCCCCCC(=O)C	C112129
MACCS_128	CCCCCC(=O)OCC	C123660
MACCS_128	CCCCCCCCCCCCN	C124221
MACCS_128	NCCN1CCNCC1	C140318
MACCS_128	CCCCCCCCCO	C143088
MACCS_128	CCCCCCC1OC(=O)CC1	C706149
MACCS_128	CC/C=C\CCO	C928961
MACCS_128	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_128	CCCCCCCCCCN	C2016571
MACCS_128	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_128	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_128	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_128	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_128	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_128	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_128	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_128	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_128	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_128	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_128	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_128	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_128	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_128	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_128	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_128	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_128	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_128	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_128	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_128	OCCCCO	C110634
MACCS_128	C(OCCCC)C1CO1	C2426086
MACCS_128	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_128	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_128	C(CCN)CCCN	C124094
MACCS_128	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_128	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_128	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_128	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_128	N(CCN)CCN	C111400
MACCS_128	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_128	C(CCCCCC)CCCCCS	C112550
MACCS_128	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_128	C(CC)(C=O)CCCC	C123057
MACCS_128	OCC(C(O)CCC)CC	C94962
MACCS_128	CCC(=CCCC)C=O	C645625
MACCS_128	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_128	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_128	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_128	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_128	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_128	C1COCCN1	C110918
MACCS_128	C(CCCCCCC)C	C111842
MACCS_128	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_128	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_128	c12ccccc1CCCC2	C119642
MACCS_128	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_128	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_128	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_128	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_128	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_128	O=C(C)OCC(CC)CCCC	C103093
MACCS_128	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_128	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_128	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_128	O=C(OC)CCCCCCCCC	C110429
MACCS_128	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_128	N1CCCCCC1	C111499
MACCS_128	O=C(C)OCCOCCCC	C112072
MACCS_128	CCCCCCCCCCCCN(C)C	C112185
MACCS_128	OCCOCCOCCOC	C112356
MACCS_128	OCCOCCOCCOCCO	C112607
MACCS_128	OC(CCCCCC)C	C123966
MACCS_128	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_128	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_128	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_128	CC1=CCC(=C(C)C)CC1	C586629
MACCS_128	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_128	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_128	O=C(N(C)C)CCCCCCC	C1118929
MACCS_128	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_128	OCCOCCOCCOCCOCCCC	C1559348
MACCS_128	OC1CCCCCCCCCCC1	C1724396
MACCS_128	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_128	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_128	OCCOCCC	C2807309
MACCS_128	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_128	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_128	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_128	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_128	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_128	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_128	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_128	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_128	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_128	SC(C)(C)CCCCCC	C25360105
MACCS_128	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_128	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_128	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_128	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_128	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_128	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_128	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_128	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_128	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_128	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_128	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_128	OC(CCCC(C)C)(C)CC	C78693
MACCS_128	OCC1OCCC1	C97994
MACCS_128	CN1CCOCC1	C109024
MACCS_128	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_128	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_128	OC(C)COCCC	C1569013
MACCS_128	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_128	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_128	OCC(CCC)CCCCC	C10042598
MACCS_128	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_128	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_128	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_128	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_128	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_128	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_128	CC(=C)C1CC=C(C)CC1	C138863
MACCS_128	OC1CC(CCC1C(C)C)C	C1490046
MACCS_128	OCCC(C)CC(C)(C)C	C3452979
MACCS_128	OC(OCCCC)CC	C29387868
MACCS_128	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_128	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_128	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_128	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_128	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_128	OCCSCCCCCCCC	C3547339
MACCS_128	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_128	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_128	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_128	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_128	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_128	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_128	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_128	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_128	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_128	O=C1OC(CCCCC)CC1	C104610
MACCS_128	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_128	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_128	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_128	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_128	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_128	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_128	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_128	OC(CCCCC)C=C	C3391864
MACCS_128	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_128	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_128	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_128	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_128	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_128	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_128	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_128	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_128	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_128	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_128	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_128	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_128	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_128	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_128	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_128	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_128	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_128	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_128	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_128	O=C(CC)OCC	C105373
MACCS_128	O=C(CBr)OCc1ccccc1	C5437456
MACCS_128	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_128	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_128	Nc1ccc(CCCCC)cc1	C33228443
MACCS_128	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_128	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_128	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_128	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_128	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_128	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_128	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_128	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_128	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_128	CC(C)C1=CCC(=CC1)C	C99854
MACCS_128	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_128	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_128	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_128	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_128	O=C1CCC(O1)CC	C695067
MACCS_128	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_128	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_128	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_128	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_128	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_128	O=C(C)OCC/C=C\CC	C3681718
MACCS_128	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_128	CCC(c1ccccc1)CCC	C4468422
MACCS_128	O=CCC/C=C\CCCCC	C21662099
MACCS_128	NCCCN1CCOCC1	C123002
MACCS_128	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_128	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_128	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_128	O=C(CCC)OCCCCC	C540181
MACCS_128	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_128	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_128	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_128	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_128	OCCOCC(CC)CCCC	C1559359
MACCS_128	O=C(CC)CCCCC	C106683
MACCS_128	OCCN(CC)CCO	C139877
MACCS_128	CCO[Si](OCC)(OCC)CC	C78079
MACCS_128	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_128	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_128	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_128	O=C(CCC)OCCCCCCC	C5870939
MACCS_128	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_128	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_128	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_128	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_128	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_128	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_128	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_128	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_128	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_128	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_128	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_128	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_128	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_128	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_128	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_128	O=C(C)OCCCCCCCC	C112141
MACCS_128	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_128	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_128	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_128	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_128	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_128	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_128	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_128	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_128	OCC(CCCC)CCCCCC	C3913028
MACCS_128	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_128	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_128	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_128	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_128	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_128	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_128	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_128	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_128	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_128	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_128	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_128	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_128	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_128	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_128	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_128	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_128	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_128	OCCOCC(C)OCCO	C9003116
MACCS_128	O=C1OC(CCC)CC1	C105215
MACCS_128	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_128	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_128	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_128	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_128	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_128	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_128	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_128	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_128	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_128	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_128	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_128	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_128	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_128	O=C1CCC(CCC)CC1	C40649363
MACCS_128	OC1CCC(CCCC)CC1	C70568604
MACCS_128	Clc1ccc(CCCCC)cc1	C79098207
MACCS_128	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_128	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_128	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_128	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_128	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_128	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_128	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_128	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_128	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_128	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_128	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_128	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_128	CCCN(CCC)C(=O)SCC	C759944
MACCS_128	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_128	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_128	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_128	O=C(SCC)N1CCCCCC1	C2212671
MACCS_128	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_128	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_128	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_128	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_128	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_128	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_128	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_128	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_128	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_128	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_128	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_128	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_128	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_128	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_128	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_128	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_128	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_128	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_128	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_128	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_128	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_128	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_128	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_128	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_128	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_128	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_128	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_128	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_128	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_128	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_128	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_128	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_128	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_128	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_128	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_128	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_128	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_128	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_128	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_128	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_128	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_128	ClCCOCCCl	C111444
MACCS_128	O=C1CCCCCN1	C105602
MACCS_128	OCCOCCO	C111466
MACCS_128	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_128	O1C2C1CCC(C2)C1CO1	C106876
MACCS_128	CCC(CCCC)CO	C104767
MACCS_128	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_128	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_128	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_128	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_128	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_128	O=NN(CCCC)CCCC	C924163
MACCS_128	O=NN(CCC)CCC	C621647
MACCS_128	C1CNCCN1	C110850
MACCS_128	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_128	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_128	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_128	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_128	OCCN(CCO)CCO	C102716
MACCS_128	OCCOCCOCCO	C112276
MACCS_128	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_128	CCCCOCCOCCO	C112345
MACCS_128	CCCCCCCCCC(=O)O	C334485
MACCS_128	O=C(O)CCCCCC	C111148
MACCS_128	OC(=O)CCCCC(=O)O	C124049
MACCS_128	CCCCCC(=O)O	C142621
MACCS_128	CCCCCCCCC(=O)O	C112050
MACCS_128	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_128	CCCCCCCC=O	C124130
MACCS_128	CCCCCCCC(=O)O	C124072
MACCS_128	CCCCCCCCCCC	C1120214
MACCS_128	CCN(CCO)CC	C100378
MACCS_128	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_128	CC(=O)OCCOCC	C111159
MACCS_128	OCCNCCO	C111422
MACCS_128	N#CCCCCC#N	C111693
MACCS_128	CCCCCCCCO	C111875
MACCS_128	CCOCCOCCO	C111900
MACCS_128	CCCCCCCCCCO	C112301
MACCS_128	CCCCCCCCCCCCCO	C112709
MACCS_128	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_128	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_128	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_128	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_128	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_128	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_128	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_128	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_128	C(=O)(O)C(CCC)CCC	C99661
MACCS_128	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_128	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_128	NC1CCCCC1	C108918
MACCS_128	CCOCCO	C110805
MACCS_128	CCCCOCCO	C111762
MACCS_128	O=C=NCCCCCCN=C=O	C822060
MACCS_128	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_128	OCCOCCOCCOCC	C112505
MACCS_128	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_128	O(CCOC)CCOC	C111966
MACCS_128	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_128	C(CCCCCCCC)C	C124185
MACCS_128	O(CCOC)CCO	C111773
MACCS_128	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_128	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_128	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_128	O=C(O)C(CCCC)CC	C149575
MACCS_128	O=c1ccsn1CCCCCCCC	C26530201
MACCS_128	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_128	N(CCCC)(CCCC)CCCC	C102829
MACCS_128	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_128	C(OCCOC)COCCOC	C112492
MACCS_128	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_128	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_128	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_128	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_128	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_128	OCCC(C)CCC=C(C)C	C106229
MACCS_128	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_128	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_128	O=C(OC)CCCCCCC	C111115
MACCS_128	O=C(OC)CCCCCCCCCCC	C111820
MACCS_128	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_128	OCCOCCCCCC	C112254
MACCS_128	OCCCCCCCCCCC	C112425
MACCS_128	OCCCCCCCCCCCC	C112538
MACCS_128	OCCCCCCCCCCCCCC	C112721
MACCS_128	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_128	CCCCCCCCCCCCCCCC	C544763
MACCS_128	O=C(C)OCCCCC	C628637
MACCS_128	CCCCCCCCCCCCCCC	C629629
MACCS_128	OCCCCCCCCCCCCCCC	C629765
MACCS_128	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_128	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_128	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_128	C1=CCCC=CCCC=CCC1	C4904614
MACCS_128	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_128	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_128	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_128	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_128	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_128	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_128	OC(OCCCOC)CC	C34590948
MACCS_128	OCCCCCCCCCCCCCCCC	C36653824
MACCS_128	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_128	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_128	CCC12N(COC1)COC2	C7747355
MACCS_128	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_128	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_128	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_128	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_128	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_128	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_128	O=C1CCC(O1)CCCCCCC	C104676
MACCS_128	O=C(O)CCCCCCCCC=C	C112389
MACCS_128	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_128	CCCCCCCCN(C)C	C7378996
MACCS_128	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_128	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_128	O=C(OCC)CCC(=O)OCC	C123251
MACCS_128	O=C(CCC)OCC	C105544
MACCS_128	O=C(OCC)CCCCCC	C106309
MACCS_128	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_128	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_128	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_128	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_128	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_128	O=C(CCC)OCCC(C)C	C106274
MACCS_128	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_128	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_128	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_128	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_128	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_128	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_128	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_128	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_128	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_128	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_128	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_128	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_128	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_128	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_128	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_128	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_128	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_128	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_128	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_128	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_128	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_128	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_128	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_128	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_128	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_128	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_128	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_128	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_128	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_128	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_128	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_128	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_128	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_128	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_128	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_128	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_128	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_128	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_128	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_128	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_128	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_128	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_128	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_128	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_128	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_128	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_128	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_128	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_128	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_128	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_128	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_128	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_128	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_128	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_128	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_128	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_128	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_128	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_128	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_128	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_128	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_128	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_128	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_128	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_128	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_128	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_128	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_128	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_128	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_128	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_128	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_128	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_128	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_128	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_128	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_128	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_128	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_128	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_128	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_128	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_128	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_128	C=CCCCCCCCCCCCC	C1120361
MACCS_128	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_128	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_128	OC(C(CC)CCCC)C#C	C5877429
MACCS_128	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_128	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_128	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_128	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_128	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_128	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_128	NCCOCCOCCN	C929599
MACCS_128	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_128	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_128	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_128	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_128	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_128	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_128	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_128	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_128	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_128	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_128	O=CCC(C)CCC=C(C)C	C106230
MACCS_128	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_128	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_128	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_128	CCCCCC=O	C66251
MACCS_128	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_128	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_128	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_128	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_128	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_128	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_128	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_128	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_128	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_128	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_128	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_128	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_128	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_128	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_128	O=CC=CC=CCCCCC	C25152845
MACCS_128	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_128	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_128	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_128	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_128	ClC(=O)C(CC)CCCC	C760678
MACCS_128	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_128	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_128	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_128	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_128	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_128	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_128	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_128	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_128	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_128	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_128	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_128	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_128	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_128	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_128	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_128	O=CCCCCCCCCC=C	C112458
MACCS_128	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_128	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_128	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_128	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_128	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_128	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_128	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_128	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_128	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_128	N#CSCCCCCCCCCCCC	C765151
MACCS_128	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_128	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_128	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_128	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_128	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_128	O=CN1CCCCC1	C2591868
MACCS_128	O=C(O)CCSCCC(=O)O	C111171
MACCS_128	CCCCCCCCCCCCN.Cl	C929737
MACCS_128	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_128	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_128	BrCCCCCCCCCCCC	C143157
MACCS_128	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_128	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_128	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_128	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_128	O=C(OCCCCO)C=C	C2478106
MACCS_128	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_128	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_128	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_128	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_128	NCCCOCCCCCCCC	C15930662
MACCS_128	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_128	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_128	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_128	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_128	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_128	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_128	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_128	O=C/C=C/CCCCCCC	C3913813
MACCS_128	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_128	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_128	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_128	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_128	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_128	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_128	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_128	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_128	CC/C=C\CCOC(OCC)C	C28069741
MACCS_128	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_128	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_128	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_128	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_128	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_128	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_128	CCCCCCCCCC(C)C=O	C110418
MACCS_128	CCCCCc1ccco1	C3777693
MACCS_128	CCC(=O)C(=O)CC	C4437518
MACCS_128	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_128	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_129	c1(nc[nH]n1)N	C61825
MACCS_129	[nH]1c2c(cccc2)nn1	C95147
MACCS_129	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_129	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_129	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_129	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_129	CN(C)N	C57147
MACCS_129	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_129	O=[N+](CC)[O-]	C79243
MACCS_129	CN(C(=O)N)N=O	C684935
MACCS_129	CN(N=O)C	C62759
MACCS_129	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_129	O=NN1CCCC1	C930552
MACCS_129	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_129	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_129	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_129	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_129	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_129	O=P(OC)(OC)OC	C512561
MACCS_129	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_129	F[B-](F)(F)F.[Na+]	C13755298
MACCS_129	CS(=O)C	C67685
MACCS_129	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_129	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_129	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_129	ON=C1CCCCC1	C100641
MACCS_129	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_129	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_129	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_129	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_129	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_129	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_129	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_129	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_129	C[Si](=O)C	C9016006
MACCS_129	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_129	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_129	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_129	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_129	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_129	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_129	OP(=O)(O)O	C7664382
MACCS_129	O=C(N)N=NC(=O)N	C123773
MACCS_129	ON=CCCC	C110690
MACCS_129	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_129	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_129	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_129	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_129	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_129	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_129	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_129	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_129	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_129	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_129	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_129	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_129	Cc1cccc2nn[nH]c12	C29385431
MACCS_129	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_129	O=P(OCC)(OCC)OCC	C78400
MACCS_129	ClCCOP(OCCCl)OCCCl	C140089
MACCS_129	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_129	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_129	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_129	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_129	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_129	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_129	ClP(c1ccccc1)Cl	C644973
MACCS_129	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_129	Cl[Sn](C)(C)Cl	C753731
MACCS_129	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_129	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_129	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_129	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_129	NNC(=S)NN	C2231574
MACCS_129	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_129	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_129	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_129	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_129	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_129	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_129	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_129	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_129	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_129	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_129	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_129	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_129	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_129	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_129	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_129	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_129	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_129	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_129	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_129	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_129	OCn1nc(C)cc1C	C85264331
MACCS_129	Clc1c(Cl)ssc1=O	C1192525
MACCS_129	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_129	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_129	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_129	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_129	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_129	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_129	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_129	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_129	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_129	O=S(=O)(N)O	C5329146
MACCS_129	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_129	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_129	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_129	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_129	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_129	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_129	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_129	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_129	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_129	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_129	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_129	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_129	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_129	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_129	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_129	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_129	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_129	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_129	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_129	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_129	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_129	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_129	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_129	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_129	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_129	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_129	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_129	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_129	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_129	[Na]I	C7681825
MACCS_129	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_129	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_129	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_129	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_129	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_129	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_129	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_129	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_129	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_129	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_129	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_129	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_129	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_129	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_129	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_129	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_129	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_129	OP(OCC)OCC	C762049
MACCS_129	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_129	Cl[Dy](Cl)Cl	C10025748
MACCS_129	CCO[Si](OCC)(OCC)CC	C78079
MACCS_129	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_129	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_129	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_129	CO[Si](C)(C)OC	C1112396
MACCS_129	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_129	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_129	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_129	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_129	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_129	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_129	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_129	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_129	CCO[Si](OCC)(C)OCC	C2031676
MACCS_129	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_129	CO[Si](OC)(CCC)OC	C1067250
MACCS_129	NNC(=S)NC	C6610293
MACCS_129	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_129	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_129	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_129	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_129	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_129	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_129	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_129	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_129	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_129	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_129	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_129	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_129	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_129	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_129	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_129	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_129	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_129	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_129	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_129	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_129	OB(O)O	C10043353
MACCS_129	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_129	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_129	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_129	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_129	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_129	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_129	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_129	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_129	C[As](=O)(C)O	C75605
MACCS_129	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_129	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_129	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_129	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_129	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_129	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_129	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_129	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_129	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_129	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_129	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_129	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_129	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_129	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_129	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_129	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_129	CSC(=NOC(=O)NC)C	C16752775
MACCS_129	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_129	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_129	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_129	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_129	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_129	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_129	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_129	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_129	ClCCP(=O)(O)O	C16672870
MACCS_129	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_129	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_129	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_129	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_129	NP(=O)(OC)SC	C10265926
MACCS_129	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_129	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_129	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_129	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_129	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_129	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_129	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_129	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_129	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_129	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_129	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_129	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_129	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_129	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_129	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_129	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_129	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_129	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_129	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_129	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_129	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_129	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_129	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_129	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_129	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_129	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_129	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_129	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_129	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_129	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_129	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_129	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_129	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_129	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_129	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_129	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_129	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_129	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_129	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_129	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_129	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_129	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_129	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_129	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_129	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_129	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_129	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_129	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_129	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_129	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_129	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_129	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_129	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_129	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_129	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_129	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_129	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_129	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_129	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_129	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_129	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_129	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_129	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_129	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_129	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_129	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_129	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_129	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_129	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_129	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_129	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_129	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_129	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_129	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_129	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_129	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_129	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_129	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_129	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_129	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_129	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_129	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_129	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_129	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_129	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_129	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_129	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_129	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_129	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_129	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_129	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_129	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_129	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_129	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_129	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_129	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_129	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_129	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_129	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_129	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_129	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_129	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_129	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_129	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_129	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_129	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_129	O=C(c1ccncc1)NN	C54853
MACCS_129	CS(=O)(=O)OC	C66273
MACCS_129	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_129	O=N[O-].[Na+]	C7632000
MACCS_129	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_129	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_129	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_129	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_129	O=[N+](c1ccccc1)[O-]	C98953
MACCS_129	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_129	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_129	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_129	O=NN(CCCC)CCCC	C924163
MACCS_129	CCN(CC)N=O	C55185
MACCS_129	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_129	O=NN(CCC)CCC	C621647
MACCS_129	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_129	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_129	O=S1(=O)CCCO1	C1120714
MACCS_129	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_129	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_129	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_129	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_129	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_129	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_129	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_129	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_129	CCC(=NO)C	C96297
MACCS_129	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_129	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_129	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_129	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_129	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_129	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_129	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_129	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_129	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_129	O=N(=O)c1ccc(C)cc1	C99990
MACCS_129	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_129	[As]#[In]	C1303113
MACCS_129	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_129	O=S(=O)(OCC)OCC	C64675
MACCS_129	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_129	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_129	O=S(=O)(OC)OC	C77781
MACCS_129	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_129	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_129	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_129	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_129	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_129	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_129	ON=CC(C)(C)SC	C1646759
MACCS_129	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_129	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_129	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_129	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_129	O(O)C(c1ccccc1)(C)C	C80159
MACCS_129	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_129	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_129	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_129	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_129	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_129	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_129	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_129	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_129	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_129	C(=O)(N)NO	C127071
MACCS_129	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_129	O=c1ccsn1CCCCCCCC	C26530201
MACCS_129	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_129	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_129	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_129	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_129	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_129	[nH]1ncnc1	C288880
MACCS_129	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_129	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_129	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_129	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_129	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_129	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_129	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_129	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_129	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_129	S=P(OCC)(OCC)SCSCC	C298022
MACCS_129	O=c1[nH]sc2c1cccc2	C2634335
MACCS_129	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_129	Nn1cnnc1	C584134
MACCS_129	O=c1n(C)sc(Cl)c1	C26172554
MACCS_129	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_129	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_129	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_129	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_129	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_129	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_129	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_129	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_129	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_129	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_129	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_129	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_129	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_129	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_129	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_129	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_129	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_129	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_129	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_129	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_129	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_129	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_129	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_129	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_129	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_129	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_129	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_129	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_129	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_129	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_129	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_129	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_129	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_129	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_129	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_129	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_129	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_129	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_129	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_129	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_129	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_129	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_129	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_129	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_129	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_129	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_129	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_129	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_129	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_129	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_129	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_129	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_129	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_129	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_129	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_129	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_129	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_129	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_129	[Na+].[O-][Cl]=O	C7758192
MACCS_129	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_129	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_129	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_129	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_129	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_129	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_129	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_129	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_129	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_129	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_129	O=[Si]=O	C7631869
MACCS_129	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_129	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_129	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_129	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_129	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_129	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_129	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_129	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_129	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_129	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_129	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_129	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_129	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_129	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_129	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_129	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_129	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_129	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_129	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_129	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_129	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_129	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_129	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_129	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_129	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_129	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_129	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_129	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_129	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_129	NNc1ccccc1.Cl	C59881
MACCS_129	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_129	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_129	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_129	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_129	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_129	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_129	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_129	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_129	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_129	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_129	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_129	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_129	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_129	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_129	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_129	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_129	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_129	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_129	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_129	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_129	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_129	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_129	O=c1cc(C)o[nH]1	C10004441
MACCS_129	Cl[In](Cl)Cl	C10025828
MACCS_129	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_129	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_129	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_129	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_129	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_129	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_129	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_129	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_129	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_129	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_129	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_129	Br[Sn](CC)(CC)CC	C2767546
MACCS_129	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_129	O=P(OCCCC)(O)OCCCC	C107664
MACCS_129	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_129	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_129	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_129	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_129	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_129	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_129	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_129	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_129	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_129	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_129	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_129	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_129	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_129	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_129	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_129	Cl[Hg]c1ccccc1	C100561
MACCS_129	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_129	O=[As]c1ccccc1	C637036
MACCS_129	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_129	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_129	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_129	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_129	Cl[Sb](Cl)Cl	C10025919
MACCS_129	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_129	Cl[Au](Cl)Cl	C13453071
MACCS_129	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_129	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_129	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_129	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_129	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_129	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_129	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_129	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_129	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_129	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_129	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_129	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_129	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_129	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_129	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_129	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_129	NNC(=O)OCc1ccccc1	C5331431
MACCS_129	c1(SSc2cccs2)cccs1	C6911519
MACCS_129	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_129	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_129	Cl[In](Cl)Cl.O.O	C143983919
MACCS_129	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_129	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_130	CC(=O)N	C60355
MACCS_130	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_130	C=CCO	C107186
MACCS_130	c1(nc[nH]n1)N	C61825
MACCS_130	Nc1ccccc1.Cl	C142041
MACCS_130	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_130	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_130	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_130	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_130	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_130	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_130	[nH]1c2c(cccc2)nn1	C95147
MACCS_130	CC(CNCC(C)O)O	C110974
MACCS_130	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_130	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_130	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_130	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_130	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_130	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_130	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_130	Clc1c(ccc(c1)N)C	C95749
MACCS_130	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_130	NC(=N)NC#N	C461585
MACCS_130	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_130	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_130	S=C(NCC)NCC	C105555
MACCS_130	CN(CCO)C	C108010
MACCS_130	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_130	CN(C)N	C57147
MACCS_130	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_130	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_130	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_130	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_130	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_130	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_130	OC(CO)CCl	C96242
MACCS_130	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_130	c1cccc2[nH]ccc12	C120729
MACCS_130	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_130	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_130	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_130	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_130	COc1ccc(cc1)O	C150765
MACCS_130	NC(=O)OC	C598550
MACCS_130	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_130	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_130	NC(=O)c1cccnc1	C98920
MACCS_130	OC(=O)c1cccnc1	C59676
MACCS_130	CN(C(=O)N)N=O	C684935
MACCS_130	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_130	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_130	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_130	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_130	Nc1ccc(cc1)N	C106503
MACCS_130	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_130	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_130	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_130	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_130	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_130	NC(=S)N	C62566
MACCS_130	Nc1ccccc1C.Cl	C636215
MACCS_130	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_130	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_130	O=C(O)/C=C\C(=O)O	C110167
MACCS_130	OC(=O)/C=C/C(=O)O	C110178
MACCS_130	OCCOCCOCCOCCCC	C143226
MACCS_130	CCCCCCCCCCCC(=O)O	C143077
MACCS_130	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_130	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_130	OC(=O)CCCC	C109524
MACCS_130	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_130	c1(O)ccccc1C(=O)N	C65452
MACCS_130	OCCC	C71238
MACCS_130	OC(C)CN	C78966
MACCS_130	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_130	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_130	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_130	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_130	O=Cc1ccccc1O	C90028
MACCS_130	Oc1cccc2ccccc12	C90153
MACCS_130	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_130	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_130	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_130	ON=C1CCCCC1	C100641
MACCS_130	OCCN1CCNCC1	C103764
MACCS_130	Nc1ccc(CCCC)cc1	C104132
MACCS_130	Oc1ccc(Cl)cc1	C106489
MACCS_130	CC(O)CC(C)(C)O	C107415
MACCS_130	C1CCCCC1O	C108930
MACCS_130	C(O)C#CCO	C110656
MACCS_130	CCNCCO	C110736
MACCS_130	CCCCCCO	C111273
MACCS_130	CCCCCCCO	C111706
MACCS_130	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_130	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_130	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_130	Oc1ccc(CC)cc1	C123079
MACCS_130	CCCCCCCCCCCCN	C124221
MACCS_130	NCCN1CCNCC1	C140318
MACCS_130	CCCCCCCCCO	C143088
MACCS_130	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_130	Oc1ccc(CCC)cc1	C645567
MACCS_130	C=CC(=O)OCCO	C818611
MACCS_130	CC/C=C\CCO	C928961
MACCS_130	CCCCCCCCCCN	C2016571
MACCS_130	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_130	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_130	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_130	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_130	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_130	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_130	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_130	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_130	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_130	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_130	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_130	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_130	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_130	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_130	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_130	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_130	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_130	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_130	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_130	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_130	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_130	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_130	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_130	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_130	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_130	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_130	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_130	c1(c(CC)cccc1)O	C90006
MACCS_130	c1c(O)cccc1CC	C620177
MACCS_130	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_130	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_130	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_130	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_130	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_130	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_130	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_130	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_130	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_130	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_130	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_130	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_130	c1cccc(OC)c1O	C90051
MACCS_130	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_130	C(=O)(O)C(C)O	C50215
MACCS_130	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_130	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_130	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_130	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_130	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_130	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_130	C(=O)(O)CCC(=O)O	C110156
MACCS_130	NC(CO)(CO)CO	C77861
MACCS_130	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_130	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_130	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_130	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_130	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_130	CNC	C124403
MACCS_130	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_130	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_130	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_130	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_130	Cc1cc(O)ccc1	C108394
MACCS_130	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_130	OP(=O)(O)O	C7664382
MACCS_130	CC(O)COC	C107982
MACCS_130	O=C(N)N=NC(=O)N	C123773
MACCS_130	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_130	ON=CCCC	C110690
MACCS_130	OCCCCO	C110634
MACCS_130	C(C)(C)(C)N	C75649
MACCS_130	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_130	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_130	C(C(=O)C)C(C)(C)O	C123422
MACCS_130	C(CCN)CCCN	C124094
MACCS_130	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_130	Oc1cc(Cl)ccc1Cl	C583788
MACCS_130	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_130	N(CCN)CCN	C111400
MACCS_130	N(C)(C)c1cccc(O)c1	C99070
MACCS_130	N(CCCN)(C)C	C109557
MACCS_130	OCNC(=O)NCO	C140954
MACCS_130	Cc1c(C)cccc1O	C526750
MACCS_130	Cc1cc(C)cc(O)c1	C108689
MACCS_130	C(CCCCCC)CCCCCS	C112550
MACCS_130	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_130	O=C(OCC)c1c(N)cccc1	C87252
MACCS_130	OCC(C(O)CCC)CC	C94962
MACCS_130	c1c(CO)occ1	C98000
MACCS_130	C(=O)(O)CO	C79141
MACCS_130	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_130	C(C)(C)(O)C#N	C75865
MACCS_130	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_130	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_130	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_130	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_130	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_130	C1COCCN1	C110918
MACCS_130	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_130	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_130	C(=O)(O)C(=O)O	C144627
MACCS_130	O(c1ccc(N)cc1)CC	C156434
MACCS_130	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_130	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_130	O=C(O)CS	C68111
MACCS_130	Cc1cccc2nn[nH]c12	C29385431
MACCS_130	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_130	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_130	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_130	OCCc1ccccc1	C60128
MACCS_130	O=C(O)c1ccccc1O	C69727
MACCS_130	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_130	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_130	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_130	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_130	O=C(O)c1ccc(O)cc1	C99967
MACCS_130	Sc1ccccc1	C108985
MACCS_130	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_130	N1CCCCCC1	C111499
MACCS_130	OCCOCCOCCOC	C112356
MACCS_130	OCCOCCOCCOCCO	C112607
MACCS_130	OCC(CO)(CO)CO	C115775
MACCS_130	OC(CCCCCC)C	C123966
MACCS_130	OCC(N)(C)C	C124685
MACCS_130	OCC(C)(C)CO	C126307
MACCS_130	Oc1ccc2ccccc2c1	C135193
MACCS_130	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_130	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_130	O=C1NCCC1	C616455
MACCS_130	OC(C)COc1ccccc1	C770354
MACCS_130	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_130	O=C(N)[O-].[NH4+]	C1111780
MACCS_130	Nc1cccc(C)c1C	C1300738
MACCS_130	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_130	OCCOCCOCCOCCOCCCC	C1559348
MACCS_130	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_130	OC1CCCCCCCCCCC1	C1724396
MACCS_130	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_130	NNC(=S)NN	C2231574
MACCS_130	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_130	OCCOCCC	C2807309
MACCS_130	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_130	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_130	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_130	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_130	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_130	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_130	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_130	Nc1c(C)cccc1CC	C24549062
MACCS_130	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_130	CC(CO)O	C25322694
MACCS_130	SC(C)(C)CCCCCC	C25360105
MACCS_130	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_130	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_130	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_130	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_130	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_130	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_130	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_130	OC(CCCC(C)C)(C)CC	C78693
MACCS_130	OCC1OCCC1	C97994
MACCS_130	O=C(c1ccc(O)cc1)C	C99934
MACCS_130	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_130	[S-]C(=S)NC.[Na+]	C137428
MACCS_130	OC(C)COCCC	C1569013
MACCS_130	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_130	OCC(CCC)CCCCC	C10042598
MACCS_130	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_130	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_130	n1c[nH]cc1	C288324
MACCS_130	OC1CC(CCC1C(C)C)C	C1490046
MACCS_130	N#C[S-].[NH4+]	C1762954
MACCS_130	OCCC(C)CC(C)(C)C	C3452979
MACCS_130	OC(OCCCC)CC	C29387868
MACCS_130	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_130	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_130	O=C1NC2NC(=O)NC2N1	C496468
MACCS_130	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_130	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_130	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_130	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_130	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_130	OCn1nc(C)cc1C	C85264331
MACCS_130	OCCSCCCCCCCC	C3547339
MACCS_130	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_130	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_130	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_130	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_130	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_130	OC1CCCC1	C96413
MACCS_130	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_130	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_130	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_130	O=S(=O)(N)O	C5329146
MACCS_130	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_130	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_130	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_130	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_130	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_130	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_130	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_130	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_130	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_130	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_130	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_130	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_130	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_130	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_130	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_130	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_130	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_130	OC(CCCCC)C=C	C3391864
MACCS_130	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_130	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_130	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_130	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_130	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_130	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_130	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_130	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_130	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_130	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_130	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_130	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_130	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_130	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_130	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_130	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_130	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_130	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_130	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_130	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_130	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_130	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_130	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_130	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_130	O=C(c1ccccc1O)C	C118934
MACCS_130	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_130	Nc1ccc(CCCCC)cc1	C33228443
MACCS_130	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_130	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_130	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_130	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_130	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_130	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_130	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_130	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_130	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_130	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_130	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_130	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_130	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_130	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_130	CC(O)COCC	C1569024
MACCS_130	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_130	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_130	Oc1ccccc1CN(C)C	C120650
MACCS_130	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_130	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_130	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_130	O=C(Nc1ccccc1)CCl	C587655
MACCS_130	OC(CCCC(C)C)(C)C	C13254347
MACCS_130	OC(CC(C)C)(C)C#C	C107540
MACCS_130	OCC=Cc1ccccc1	C104541
MACCS_130	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_130	O=c1ccoc(CC)c1O	C4940118
MACCS_130	NCCCN1CCOCC1	C123002
MACCS_130	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_130	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_130	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_130	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_130	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_130	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_130	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_130	N#Cc1c(O)cccc1	C611201
MACCS_130	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_130	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_130	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_130	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_130	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_130	OC1CC(C)(C)CC(C)C1	C116029
MACCS_130	OP(OCC)OCC	C762049
MACCS_130	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_130	OCCOCC(CC)CCCC	C1559359
MACCS_130	OCCN(CC)CCO	C139877
MACCS_130	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_130	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_130	O=C(CF)O	C144490
MACCS_130	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_130	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_130	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_130	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_130	Oc1cc(C(C)C)ccc1C	C499752
MACCS_130	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_130	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_130	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_130	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_130	S=C(NC)NC	C534134
MACCS_130	OC(C)C(=O)OCCCC	C138227
MACCS_130	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_130	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_130	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_130	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_130	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_130	Oc1c(OCC)cccc1	C94713
MACCS_130	Oc1ccc(C(C)C)cc1	C99898
MACCS_130	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_130	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_130	OC(CO)c1ccccc1	C93561
MACCS_130	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_130	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_130	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_130	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_130	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_130	O=C(N)Nc1ccccc1	C64108
MACCS_130	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_130	NNC(=S)NC	C6610293
MACCS_130	Oc1c(C(C)C)cccc1	C88697
MACCS_130	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_130	NCCN.I.I	C5700492
MACCS_130	Oc1cc(C(C)C)ccc1	C618451
MACCS_130	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_130	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_130	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_130	OCC(CCCC)CCCCCC	C3913028
MACCS_130	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_130	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_130	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_130	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_130	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_130	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_130	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_130	Oc1ccc(CCCC)cc1	C1638228
MACCS_130	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_130	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_130	OCCOCC(C)OCCO	C9003116
MACCS_130	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_130	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_130	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_130	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_130	Nc1ccc(CCC)cc1	C2696846
MACCS_130	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_130	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_130	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_130	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_130	Sc1ccc(C)cc1	C106456
MACCS_130	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_130	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_130	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_130	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_130	Nc1ccc(cc1)OCCCC	C4344552
MACCS_130	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_130	OC1CCC(CCCC)CC1	C70568604
MACCS_130	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_130	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_130	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_130	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_130	OB(O)O	C10043353
MACCS_130	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_130	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_130	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_130	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_130	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_130	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_130	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_130	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_130	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_130	C[As](=O)(C)O	C75605
MACCS_130	S=C1NCCN1	C96457
MACCS_130	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_130	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_130	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_130	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_130	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_130	Oc1c(cccc1)c1ccccc1	C90437
MACCS_130	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_130	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_130	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_130	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_130	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_130	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_130	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_130	c1ccccc1Nc1ccccc1	C122394
MACCS_130	c1ccccc1OCCO	C122996
MACCS_130	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_130	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_130	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_130	CSC(=NOC(=O)NC)C	C16752775
MACCS_130	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_130	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_130	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_130	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_130	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_130	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_130	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_130	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_130	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_130	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_130	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_130	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_130	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_130	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_130	ClCCP(=O)(O)O	C16672870
MACCS_130	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_130	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_130	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_130	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_130	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_130	NP(=O)(OC)SC	C10265926
MACCS_130	OCCOC	C109864
MACCS_130	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_130	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_130	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_130	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_130	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_130	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_130	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_130	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_130	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_130	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_130	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_130	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_130	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_130	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_130	O=C(NCCCC)OCC#CI	C55406536
MACCS_130	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_130	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_130	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_130	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_130	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_130	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_130	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_130	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_130	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_130	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_130	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_130	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_130	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_130	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_130	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_130	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_130	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_130	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_130	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_130	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_130	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_130	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_130	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_130	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_130	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_130	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_130	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_130	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_130	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_130	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_130	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_130	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_130	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_130	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_130	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_130	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_130	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_130	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_130	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_130	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_130	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_130	N#CN	C420042
MACCS_130	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_130	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_130	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_130	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_130	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_130	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_130	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_130	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_130	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_130	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_130	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_130	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_130	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_130	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_130	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_130	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_130	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_130	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_130	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_130	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_130	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_130	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_130	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_130	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_130	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_130	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_130	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_130	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_130	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_130	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_130	NC(=O)C=C	C79061
MACCS_130	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_130	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_130	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_130	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_130	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_130	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_130	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_130	OC(=O)c1ccccc1	C65850
MACCS_130	OCc1ccccc1	C100516
MACCS_130	OCC(CO)(CBr)CBr	C3296900
MACCS_130	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_130	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_130	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_130	O=C1CCCCCN1	C105602
MACCS_130	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_130	Oc1c(cccc1)O	C120809
MACCS_130	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_130	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_130	Nc1c(ccc(c1)Cl)N	C95830
MACCS_130	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_130	Nc1ccc(cc1)Cl	C106478
MACCS_130	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_130	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_130	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_130	Nc1cc(ccc1OC)C	C120718
MACCS_130	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_130	Nc1c(ccc(c1)N)C	C95807
MACCS_130	OC(=O)C(Cl)Cl	C79436
MACCS_130	Clc1c(ccc(c1)Cl)O	C120832
MACCS_130	OCCOCCO	C111466
MACCS_130	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_130	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_130	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_130	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_130	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_130	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_130	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_130	C(CO)O	C107211
MACCS_130	CCC(CCCC)CO	C104767
MACCS_130	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_130	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_130	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_130	OCC(O)CO	C56815
MACCS_130	OCC1CO1	C556525
MACCS_130	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_130	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_130	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_130	Oc1ccc(cc1)O	C123319
MACCS_130	Oc1cccc2cccnc12	C148243
MACCS_130	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_130	O=C(c1ccncc1)NN	C54853
MACCS_130	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_130	Sc1nc2c(cccc2)s1	C149304
MACCS_130	[nH]1c(=S)n(cc1)C	C60560
MACCS_130	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_130	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_130	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_130	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_130	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_130	Nc1cc2c(cccc2)cc1	C91598
MACCS_130	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_130	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_130	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_130	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_130	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_130	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_130	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_130	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_130	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_130	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_130	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_130	Oc1ccccc1	C108952
MACCS_130	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_130	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_130	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_130	Nc1cc(ccc1)N	C108452
MACCS_130	C1CNCCN1	C110850
MACCS_130	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_130	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_130	CC(CO)O	C57556
MACCS_130	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_130	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_130	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_130	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_130	Oc1cc(ccc1)O	C108463
MACCS_130	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_130	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_130	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_130	OC(=O)C=CC=CC	C110441
MACCS_130	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_130	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_130	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_130	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_130	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_130	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_130	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_130	OCCN(CCO)CCO	C102716
MACCS_130	OCCOCCOCCO	C112276
MACCS_130	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_130	C(=O)(N)N	C57136
MACCS_130	NC(=O)OCC	C51796
MACCS_130	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_130	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_130	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_130	OC(=O)CCC	C107926
MACCS_130	CCCCOCCOCCO	C112345
MACCS_130	Oc1ccccc1Cl	C95578
MACCS_130	CCCCCCCCCC(=O)O	C334485
MACCS_130	CC(Cl)(Cl)C(=O)O	C75990
MACCS_130	O=C(O)CCCCCC	C111148
MACCS_130	OC(=O)CCCCC(=O)O	C124049
MACCS_130	CCCCCC(=O)O	C142621
MACCS_130	CCCCCCCCC(=O)O	C112050
MACCS_130	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_130	CCCCCCCC(=O)O	C124072
MACCS_130	Oc1cc(C)c(Cl)cc1	C59507
MACCS_130	CC1(C)NC(=O)NC1=O	C77714
MACCS_130	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_130	Oc1c(C)cccc1	C95487
MACCS_130	CCC(=NO)C	C96297
MACCS_130	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_130	CCN(CCO)CC	C100378
MACCS_130	CCNc1cc(C)ccc1	C102272
MACCS_130	Oc1c(C)cc(C)cc1	C105679
MACCS_130	Oc1ccc(C)cc1	C106445
MACCS_130	Nc1ccc(C)cc1	C106490
MACCS_130	ClCCO	C107073
MACCS_130	OCCNCCO	C111422
MACCS_130	CCCCCCCCO	C111875
MACCS_130	CCOCCOCCO	C111900
MACCS_130	CCCCCCCCCCO	C112301
MACCS_130	CCCCCCCCCCCCCO	C112709
MACCS_130	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_130	OCCN	C141435
MACCS_130	Oc1c(C)cc(C)cc1C	C527606
MACCS_130	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_130	Oc1c(C)c(C)ccc1C	C2416946
MACCS_130	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_130	c1(c(O)cccc1)C(CC)C	C89725
MACCS_130	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_130	Oc1ccc(C=CC)cc1OC	C97541
MACCS_130	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_130	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_130	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_130	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_130	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_130	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_130	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_130	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_130	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_130	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_130	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_130	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_130	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_130	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_130	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_130	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_130	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_130	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_130	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_130	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_130	C(=O)(O)C(CCC)CCC	C99661
MACCS_130	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_130	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_130	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_130	Nc1c(OC)cccc1	C90040
MACCS_130	NC1CCCCC1	C108918
MACCS_130	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_130	Oc1cc(C)c(C)cc1	C95658
MACCS_130	Oc1c(cccc1C)C	C576261
MACCS_130	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_130	CCOCCO	C110805
MACCS_130	CCCCOCCO	C111762
MACCS_130	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_130	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_130	OCCOCCOCCOCC	C112505
MACCS_130	ON=CC(C)(C)SC	C1646759
MACCS_130	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_130	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_130	O=C(O)c1ccc(N)cc1	C150130
MACCS_130	Oc1c(ccc(N)c1)C	C2835952
MACCS_130	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_130	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_130	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_130	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_130	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_130	O(O)C(c1ccccc1)(C)C	C80159
MACCS_130	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_130	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_130	Nc1cc(C)ccc1N	C496720
MACCS_130	OC(CCl)CCl	C96231
MACCS_130	O(CCOC)CCO	C111773
MACCS_130	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_130	Oc1c(ccc(C)c1)C	C95874
MACCS_130	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_130	N(c1ccccc1)CC	C103695
MACCS_130	O=C(O)C(CCCC)CC	C149575
MACCS_130	C(=O)(N)NO	C127071
MACCS_130	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_130	o1c(C)c(O)c(=O)cc1	C118718
MACCS_130	O=C(OC)c1c(N)cccc1	C134203
MACCS_130	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_130	O=C(OC)c1c(O)cccc1	C119368
MACCS_130	Nc1c(N)cccc1	C95545
MACCS_130	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_130	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_130	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_130	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_130	Nc1c(cccc1)C	C95534
MACCS_130	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_130	Nc1c(cccc1C)C	C87627
MACCS_130	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_130	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_130	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_130	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_130	OCCC(C)CCC=C(C)C	C106229
MACCS_130	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_130	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_130	OCCC(O)C	C107880
MACCS_130	OC(CC(C)C)C	C108112
MACCS_130	Nc1cccc(C)c1	C108441
MACCS_130	OCCOCCCCCC	C112254
MACCS_130	OCCCCCCCCCCC	C112425
MACCS_130	OCCCCCCCCCCCC	C112538
MACCS_130	OCCCCCCCCCCCCCC	C112721
MACCS_130	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_130	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_130	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_130	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_130	[nH]1ncnc1	C288880
MACCS_130	Nc1c(CC)cccc1CC	C579668
MACCS_130	OCCCCCCCCCCCCCCC	C629765
MACCS_130	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_130	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_130	Nc1cccc(C)c1N	C2687254
MACCS_130	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_130	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_130	O=C(O)C(O)CC(=O)O	C6915157
MACCS_130	OC(OC(O)CC)CC	C25265718
MACCS_130	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_130	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_130	OC(OCCCOC)CC	C34590948
MACCS_130	OCCCCCCCCCCCCCCCC	C36653824
MACCS_130	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_130	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_130	O=C(N)C(=C)C	C79390
MACCS_130	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_130	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_130	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_130	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_130	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_130	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_130	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_130	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_130	O=c1[nH]sc2c1cccc2	C2634335
MACCS_130	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_130	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_130	Nn1cnnc1	C584134
MACCS_130	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_130	Oc1cc(C)ccc1C(C)C	C89838
MACCS_130	O=C(O)CCCCCCCCC=C	C112389
MACCS_130	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_130	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_130	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_130	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_130	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_130	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_130	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_130	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_130	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_130	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_130	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_130	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_130	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_130	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_130	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_130	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_130	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_130	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_130	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_130	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_130	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_130	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_130	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_130	O=C(C)NC	C79163
MACCS_130	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_130	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_130	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_130	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_130	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_130	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_130	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_130	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_130	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_130	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_130	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_130	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_130	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_130	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_130	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_130	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_130	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_130	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_130	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_130	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_130	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_130	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_130	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_130	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_130	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_130	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_130	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_130	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_130	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_130	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_130	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_130	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_130	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_130	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_130	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_130	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_130	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_130	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_130	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_130	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_130	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_130	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_130	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_130	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_130	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_130	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_130	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_130	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_130	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_130	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_130	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_130	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_130	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_130	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_130	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_130	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_130	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_130	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_130	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_130	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_130	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_130	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_130	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_130	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_130	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_130	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_130	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_130	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_130	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_130	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_130	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_130	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_130	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_130	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_130	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_130	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_130	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_130	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_130	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_130	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_130	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_130	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_130	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_130	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_130	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_130	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_130	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_130	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_130	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_130	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_130	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_130	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_130	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_130	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_130	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_130	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_130	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_130	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_130	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_130	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_130	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_130	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_130	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_130	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_130	C(=O)N	C75127
MACCS_130	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_130	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_130	OC(C(CC)CCCC)C#C	C5877429
MACCS_130	OCCCBr	C627189
MACCS_130	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_130	C(=O)(C)O	C64197
MACCS_130	C(CO)C(C)C	C123513
MACCS_130	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_130	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_130	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_130	NCCOCCOCCN	C929599
MACCS_130	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_130	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_130	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_130	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_130	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_130	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_130	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_130	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_130	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_130	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_130	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_130	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_130	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_130	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_130	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_130	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_130	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_130	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_130	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_130	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_130	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_130	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_130	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_130	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_130	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_130	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_130	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_130	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_130	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_130	OCCC(OC)C	C2517433
MACCS_130	S=C(NCCCC)NCCCC	C109466
MACCS_130	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_130	NCc1cccc(CN)c1	C1477550
MACCS_130	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_130	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_130	NCCN	C107153
MACCS_130	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_130	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_130	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_130	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_130	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_130	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_130	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_130	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_130	Clc1ccc(N)cc1.Cl	C20265967
MACCS_130	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_130	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_130	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_130	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_130	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_130	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_130	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_130	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_130	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_130	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_130	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_130	NNc1ccccc1.Cl	C59881
MACCS_130	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_130	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_130	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_130	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_130	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_130	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_130	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_130	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_130	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_130	CC(c1ccc(CO)cc1)C	C536607
MACCS_130	CC(=O)C(=O)O	C127173
MACCS_130	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_130	Nc1ccc(Br)cc1	C106401
MACCS_130	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_130	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_130	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_130	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_130	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_130	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_130	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_130	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_130	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_130	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_130	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_130	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_130	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_130	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_130	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_130	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_130	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_130	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_130	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_130	Nc1ccc(OC)cc1	C104949
MACCS_130	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_130	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_130	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_130	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_130	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_130	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_130	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_130	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_130	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_130	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_130	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_130	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_130	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_130	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_130	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_130	OCC=C(C)C	C556821
MACCS_130	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_130	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_130	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_130	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_130	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_130	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_130	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_130	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_130	OCc1c[nH]c2c1cccc2	C700061
MACCS_130	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_130	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_130	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_130	O=c1cc(C)o[nH]1	C10004441
MACCS_130	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_130	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_130	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_130	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_130	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_130	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_130	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_130	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_130	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_130	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_130	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_130	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_130	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_130	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_130	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_130	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_130	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_130	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_130	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_130	O=P(OCCCC)(O)OCCCC	C107664
MACCS_130	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_130	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_130	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_130	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_130	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_130	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_130	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_130	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_130	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_130	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_130	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_130	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_130	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_130	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_130	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_130	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_130	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_130	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_130	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_130	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_130	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_130	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_130	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_130	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_130	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_130	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_130	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_130	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_130	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_130	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_130	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_130	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_130	O=C(O)CCSCCC(=O)O	C111171
MACCS_130	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_130	CCCCCCCCCCCCN.Cl	C929737
MACCS_130	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_130	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_130	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_130	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_130	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_130	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_130	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_130	O=C(OC)CCCC(=O)O	C1501275
MACCS_130	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_130	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_130	O=C(OCCCCO)C=C	C2478106
MACCS_130	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_130	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_130	NCCCOCCCCCCCC	C15930662
MACCS_130	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_130	Nc1cccc(C)n1	C1824813
MACCS_130	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_130	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_130	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_130	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_130	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_130	CC1COc2ccccc2N1	C32329207
MACCS_130	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_130	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_130	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_130	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_130	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_130	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_130	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_130	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_130	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_130	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_130	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_130	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_130	SC1CCCC1	C1679078
MACCS_130	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_130	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_130	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_130	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_130	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_130	NNC(=O)OCc1ccccc1	C5331431
MACCS_130	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_130	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_130	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_130	Cl[In](Cl)Cl.O.O	C143983919
MACCS_130	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_130	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_130	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_130	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_130	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_130	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_131	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_131	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_131	CC(CNCC(C)O)O	C110974
MACCS_131	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_131	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_131	O=CCCl	C107200
MACCS_131	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_131	O=C1CCCCC1	C108941
MACCS_131	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_131	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_131	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_131	CN(CCO)C	C108010
MACCS_131	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_131	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_131	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_131	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_131	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_131	OC(CO)CCl	C96242
MACCS_131	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_131	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_131	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_131	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_131	O=[N+](CC)[O-]	C79243
MACCS_131	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_131	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_131	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_131	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_131	O=CCc1ccccc1	C122781
MACCS_131	OCCOCCOCCOCCCC	C143226
MACCS_131	CCCCCCCCCC=O	C112312
MACCS_131	CCCCCCCCCCCC(=O)O	C143077
MACCS_131	O=CCCCCCC	C111717
MACCS_131	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_131	CCCCCCCCC=O	C124196
MACCS_131	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_131	OC(=O)CCCC	C109524
MACCS_131	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_131	OCCC	C71238
MACCS_131	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_131	OC(C)CN	C78966
MACCS_131	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_131	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_131	OCCN1CCNCC1	C103764
MACCS_131	CCOC(=O)CC(=O)OCC	C105533
MACCS_131	CC(O)CC(C)(C)O	C107415
MACCS_131	CCCC(=O)C	C107879
MACCS_131	C1CCCCC1O	C108930
MACCS_131	CCCCCC(=O)C	C110430
MACCS_131	CCNCCO	C110736
MACCS_131	CCCCCCO	C111273
MACCS_131	CCCCCCCO	C111706
MACCS_131	CCCCCCCCCC(=O)C	C112129
MACCS_131	CCCCCC(=O)OCC	C123660
MACCS_131	CCCCCCCCCO	C143088
MACCS_131	CCCCCCC1OC(=O)CC1	C706149
MACCS_131	C=CC(=O)OCCO	C818611
MACCS_131	CC/C=C\CCO	C928961
MACCS_131	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_131	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_131	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_131	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_131	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_131	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_131	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_131	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_131	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_131	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_131	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_131	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_131	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_131	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_131	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_131	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_131	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_131	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_131	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_131	C(=O)(O)CCC(=O)O	C110156
MACCS_131	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_131	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_131	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_131	CC(O)COC	C107982
MACCS_131	[Na+].[O-]C(=O)CF	C62748
MACCS_131	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_131	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_131	OCCCCO	C110634
MACCS_131	O=C(OCCCC)C=C	C141322
MACCS_131	C(OCCCC)C1CO1	C2426086
MACCS_131	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_131	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_131	C(C(=O)C)C(C)(C)O	C123422
MACCS_131	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_131	O=C(CC(C)C)CC(C)C	C108838
MACCS_131	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_131	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_131	OCC(C(O)CCC)CC	C94962
MACCS_131	c1c(CO)occ1	C98000
MACCS_131	O=CCCCC=O	C111308
MACCS_131	C(=O)(O)CO	C79141
MACCS_131	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_131	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_131	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_131	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_131	C1COCCN1	C110918
MACCS_131	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_131	O=C(O)CS	C68111
MACCS_131	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_131	ClCCOP(OCCCl)OCCCl	C140089
MACCS_131	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_131	OCCc1ccccc1	C60128
MACCS_131	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_131	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_131	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_131	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_131	O=C1OCC(C)O1	C108327
MACCS_131	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_131	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_131	O=C(OC)CCCCCCCCC	C110429
MACCS_131	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_131	O=C(C)OCCOC(=O)C	C111557
MACCS_131	O=C(C)OCCOCCCC	C112072
MACCS_131	OCCOCCOCCOC	C112356
MACCS_131	OCCOCCOCCOCCO	C112607
MACCS_131	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_131	OC(CCCCCC)C	C123966
MACCS_131	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_131	O=C1NCCC1	C616455
MACCS_131	OC(C)COc1ccccc1	C770354
MACCS_131	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_131	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_131	O=C(N(C)C)CCCCCCC	C1118929
MACCS_131	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_131	OCCOCCOCCOCCOCCCC	C1559348
MACCS_131	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_131	OC1CCCCCCCCCCC1	C1724396
MACCS_131	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_131	O=C(N(C)C)CC(=O)C	C2044646
MACCS_131	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_131	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_131	OCCOCCC	C2807309
MACCS_131	O=C(CCl)[O-].[Na+]	C3926623
MACCS_131	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_131	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_131	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_131	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_131	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_131	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_131	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_131	CC(CO)O	C25322694
MACCS_131	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_131	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_131	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_131	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_131	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_131	OC(CCCC(C)C)(C)CC	C78693
MACCS_131	OCC1OCCC1	C97994
MACCS_131	CN1CCOCC1	C109024
MACCS_131	O=C1CCCC1	C120923
MACCS_131	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_131	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_131	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_131	OC(C)COCCC	C1569013
MACCS_131	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_131	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_131	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_131	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_131	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_131	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_131	OC1CC(CCC1C(C)C)C	C1490046
MACCS_131	OCCC(C)CC(C)(C)C	C3452979
MACCS_131	OC(OCCCC)CC	C29387868
MACCS_131	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_131	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_131	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_131	OCCSCCCCCCCC	C3547339
MACCS_131	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_131	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_131	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_131	OC1CCCC1	C96413
MACCS_131	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_131	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_131	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_131	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_131	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_131	O=C1OC(CCCCC)CC1	C104610
MACCS_131	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_131	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_131	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_131	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_131	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_131	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_131	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_131	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_131	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_131	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_131	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_131	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_131	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_131	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_131	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_131	OC(CCCCC)C=C	C3391864
MACCS_131	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_131	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_131	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_131	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_131	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_131	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_131	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_131	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_131	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_131	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_131	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_131	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_131	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_131	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_131	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_131	O=C(CC)OCC	C105373
MACCS_131	O=C1OCC(CC)O1	C4437858
MACCS_131	O=C(CBr)OCc1ccccc1	C5437456
MACCS_131	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_131	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_131	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_131	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_131	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_131	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_131	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_131	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_131	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_131	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_131	CC(O)COCC	C1569024
MACCS_131	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_131	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_131	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_131	O=C1CCC(O1)CC	C695067
MACCS_131	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_131	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_131	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_131	O=C(Nc1ccccc1)CCl	C587655
MACCS_131	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_131	OC(CCCC(C)C)(C)C	C13254347
MACCS_131	O1C=CCCC1	C110872
MACCS_131	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_131	OC(CC(C)C)(C)C#C	C107540
MACCS_131	O=C(C)OCC/C=C\CC	C3681718
MACCS_131	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_131	O=CCC/C=C\CCCCC	C21662099
MACCS_131	O=c1ccoc(CC)c1O	C4940118
MACCS_131	NCCCN1CCOCC1	C123002
MACCS_131	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_131	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_131	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_131	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_131	O=C(CCC)OCCCCC	C540181
MACCS_131	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_131	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_131	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_131	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_131	OC1CC(C)(C)CC(C)C1	C116029
MACCS_131	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_131	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_131	OCCOCC(CC)CCCC	C1559359
MACCS_131	O=C(CC)CCCCC	C106683
MACCS_131	OCCN(CC)CCO	C139877
MACCS_131	CCO[Si](OCC)(OCC)CC	C78079
MACCS_131	O=C(CF)O	C144490
MACCS_131	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_131	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_131	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_131	O=C(CCC)OCCCCCCC	C5870939
MACCS_131	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_131	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_131	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_131	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_131	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_131	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_131	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_131	OC(C)C(=O)OCCCC	C138227
MACCS_131	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_131	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_131	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_131	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_131	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_131	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_131	OC(CO)c1ccccc1	C93561
MACCS_131	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_131	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_131	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_131	CO[Si](OC)(CCC)OC	C1067250
MACCS_131	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_131	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_131	O=C(C)OCCCCCCCC	C112141
MACCS_131	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_131	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_131	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_131	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_131	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_131	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_131	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_131	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_131	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_131	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_131	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_131	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_131	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_131	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_131	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_131	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_131	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_131	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_131	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_131	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_131	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_131	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_131	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_131	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_131	OCCOCC(C)OCCO	C9003116
MACCS_131	O=C1OC(CCC)CC1	C105215
MACCS_131	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_131	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_131	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_131	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_131	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_131	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_131	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_131	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_131	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_131	O=C1CCC(CCC)CC1	C40649363
MACCS_131	Nc1ccc(cc1)OCCCC	C4344552
MACCS_131	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_131	OC1CCC(CCCC)CC1	C70568604
MACCS_131	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_131	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_131	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_131	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_131	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_131	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_131	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_131	c1ccccc1OCCO	C122996
MACCS_131	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_131	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_131	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_131	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_131	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_131	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_131	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_131	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_131	ClCCP(=O)(O)O	C16672870
MACCS_131	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_131	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_131	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_131	OCCOC	C109864
MACCS_131	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_131	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_131	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_131	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_131	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_131	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_131	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_131	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_131	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_131	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_131	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_131	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_131	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_131	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_131	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_131	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_131	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_131	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_131	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_131	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_131	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_131	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_131	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_131	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_131	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_131	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_131	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_131	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_131	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_131	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_131	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_131	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_131	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_131	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_131	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_131	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_131	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_131	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_131	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_131	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_131	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_131	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_131	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_131	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_131	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_131	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_131	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_131	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_131	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_131	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_131	ClCCOCCCl	C111444
MACCS_131	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_131	O=C1CCCO1	C96480
MACCS_131	O=C1CCCCCN1	C105602
MACCS_131	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_131	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_131	O=C(c1ccccc1)CCl	C532274
MACCS_131	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_131	OCCOCCO	C111466
MACCS_131	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_131	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_131	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_131	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_131	C(CO)O	C107211
MACCS_131	O1C2C1CCC(C2)C1CO1	C106876
MACCS_131	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_131	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_131	OCC(O)CO	C56815
MACCS_131	OCC1CO1	C556525
MACCS_131	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_131	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_131	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_131	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_131	O=C1N(CCC1)C	C872504
MACCS_131	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_131	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_131	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_131	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_131	O=S1(=O)CCCO1	C1120714
MACCS_131	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_131	CC(CO)O	C57556
MACCS_131	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_131	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_131	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_131	OCCN(CCO)CCO	C102716
MACCS_131	OCCOCCOCCO	C112276
MACCS_131	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_131	O=C1N(C=C)CCC1	C88120
MACCS_131	OC(=O)CCC	C107926
MACCS_131	CCCCOCCOCCO	C112345
MACCS_131	CCCCCCCCCC(=O)O	C334485
MACCS_131	O=C(O)CCCCCC	C111148
MACCS_131	OC(=O)CCCCC(=O)O	C124049
MACCS_131	CCCCCC(=O)O	C142621
MACCS_131	CCCCCCCCC(=O)O	C112050
MACCS_131	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_131	CCCCCCCC=O	C124130
MACCS_131	CCCCCCCC(=O)O	C124072
MACCS_131	CCCCC=O	C110623
MACCS_131	CCN(CCO)CC	C100378
MACCS_131	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_131	ClCCO	C107073
MACCS_131	CC(=O)OCCOCC	C111159
MACCS_131	OCCNCCO	C111422
MACCS_131	CCCCCCCCO	C111875
MACCS_131	CCOCCOCCO	C111900
MACCS_131	CCCCCCCCCCO	C112301
MACCS_131	CCCCCCCCCCCCCO	C112709
MACCS_131	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_131	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_131	OCCN	C141435
MACCS_131	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_131	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_131	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_131	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_131	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_131	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_131	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_131	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_131	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_131	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_131	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_131	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_131	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_131	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_131	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_131	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_131	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_131	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_131	CCOCCO	C110805
MACCS_131	CCCCOCCO	C111762
MACCS_131	OCCOCCOCCOCC	C112505
MACCS_131	O(CCOC)CCOC	C111966
MACCS_131	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_131	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_131	OC(CCl)CCl	C96231
MACCS_131	O(CCOC)CCO	C111773
MACCS_131	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_131	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_131	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_131	COC(=O)CCCC(=O)OC	C1119400
MACCS_131	C(=O)(OC)CCC(=O)OC	C106650
MACCS_131	C(CC(C)C)OC(=O)C	C123922
MACCS_131	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_131	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_131	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_131	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_131	C(OCCOC)COCCOC	C112492
MACCS_131	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_131	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_131	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_131	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_131	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_131	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_131	OCCC(C)CCC=C(C)C	C106229
MACCS_131	OCCC(O)C	C107880
MACCS_131	OC(CC(C)C)C	C108112
MACCS_131	O=C(OC)CCCCCCC	C111115
MACCS_131	O=C(OC)CCCCCCCCCCC	C111820
MACCS_131	OCCOCCCCCC	C112254
MACCS_131	OCCCCCCCCCCC	C112425
MACCS_131	OCCCCCCCCCCCC	C112538
MACCS_131	OCCCCCCCCCCCCCC	C112721
MACCS_131	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_131	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_131	O=C(C)OCCCCC	C628637
MACCS_131	OCCCCCCCCCCCCCCC	C629765
MACCS_131	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_131	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_131	O=C(O)C(O)CC(=O)O	C6915157
MACCS_131	OC(OC(O)CC)CC	C25265718
MACCS_131	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_131	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_131	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_131	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_131	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_131	OC(OCCCOC)CC	C34590948
MACCS_131	OCCCCCCCCCCCCCCCC	C36653824
MACCS_131	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_131	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_131	O=C(OC)CC(=O)OC	C108598
MACCS_131	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_131	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_131	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_131	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_131	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_131	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_131	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_131	O=C1CCC(O1)CCCCCCC	C104676
MACCS_131	O=C(O)CCCCCCCCC=C	C112389
MACCS_131	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_131	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_131	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_131	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_131	O=C(OCC)CCC(=O)OCC	C123251
MACCS_131	O=C(CCC)OCC	C105544
MACCS_131	O=C(OCC)CCCCCC	C106309
MACCS_131	O=C(OCCCC)c1ccccc1	C136607
MACCS_131	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_131	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_131	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_131	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_131	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_131	O=C(CCC)OCCC(C)C	C106274
MACCS_131	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_131	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_131	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_131	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_131	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_131	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_131	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_131	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_131	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_131	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_131	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_131	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_131	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_131	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_131	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_131	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_131	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_131	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_131	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_131	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_131	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_131	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_131	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_131	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_131	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_131	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_131	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_131	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_131	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_131	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_131	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_131	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_131	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_131	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_131	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_131	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_131	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_131	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_131	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_131	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_131	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_131	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_131	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_131	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_131	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_131	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_131	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_131	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_131	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_131	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_131	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_131	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_131	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_131	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_131	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_131	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_131	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_131	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_131	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_131	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_131	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_131	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_131	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_131	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_131	OCCCBr	C627189
MACCS_131	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_131	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_131	C(CO)C(C)C	C123513
MACCS_131	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_131	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_131	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_131	NCCOCCOCCN	C929599
MACCS_131	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_131	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_131	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_131	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_131	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_131	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_131	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_131	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_131	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_131	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_131	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_131	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_131	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_131	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_131	OCCC(OC)C	C2517433
MACCS_131	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_131	O=CCC(C)CCC=C(C)C	C106230
MACCS_131	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_131	O=CCCSC	C3268493
MACCS_131	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_131	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_131	CC(=O)OCCCC	C123864
MACCS_131	CC(=O)CCC(C)C	C110123
MACCS_131	CC(=O)CC(C)C	C108101
MACCS_131	CCCCCC=O	C66251
MACCS_131	CCCC=O	C123728
MACCS_131	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_131	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_131	CCC1CO1	C106887
MACCS_131	CC1CC(=O)O1	C3068880
MACCS_131	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_131	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_131	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_131	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_131	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_131	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_131	O=C(CCl)CCl	C534076
MACCS_131	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_131	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_131	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_131	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_131	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_131	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_131	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_131	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_131	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_131	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_131	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_131	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_131	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_131	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_131	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_131	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_131	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_131	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_131	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_131	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_131	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_131	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_131	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_131	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_131	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_131	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_131	O=CCCCCCCCCC=C	C112458
MACCS_131	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_131	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_131	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_131	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_131	O=P(OCCCC)(O)OCCCC	C107664
MACCS_131	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_131	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_131	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_131	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_131	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_131	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_131	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_131	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_131	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_131	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_131	O=C(O)CCSCCC(=O)O	C111171
MACCS_131	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_131	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_131	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_131	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_131	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_131	O=C(OC)CCCC(=O)O	C1501275
MACCS_131	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_131	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_131	O=C(OCCCCO)C=C	C2478106
MACCS_131	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_131	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_131	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_131	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_131	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_131	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_131	NCCCOCCCCCCCC	C15930662
MACCS_131	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_131	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_131	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_131	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_131	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_131	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_131	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_131	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_131	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_131	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_131	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_131	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_131	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_131	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_131	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_131	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_131	CC/C=C\CCOC(OCC)C	C28069741
MACCS_131	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_131	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_131	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_131	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_131	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_131	CCCCCc1ccco1	C3777693
MACCS_131	CCC(=O)C(=O)CC	C4437518
MACCS_131	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_131	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_132	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_132	c1(nc[nH]n1)N	C61825
MACCS_132	Nc1ccccc1.Cl	C142041
MACCS_132	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_132	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_132	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_132	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_132	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_132	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_132	Clc1c(ccc(c1)N)C	C95749
MACCS_132	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_132	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_132	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_132	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_132	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_132	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_132	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_132	O=NN1CCCC1	C930552
MACCS_132	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_132	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_132	Nc1ccc(cc1)N	C106503
MACCS_132	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_132	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_132	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_132	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_132	Nc1ccccc1C.Cl	C636215
MACCS_132	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_132	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_132	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_132	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_132	ON=C1CCCCC1	C100641
MACCS_132	OCCN1CCNCC1	C103764
MACCS_132	Nc1ccc(CCCC)cc1	C104132
MACCS_132	NCCN1CCNCC1	C140318
MACCS_132	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_132	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_132	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_132	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_132	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_132	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_132	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_132	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_132	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_132	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_132	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_132	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_132	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_132	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_132	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_132	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_132	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_132	N(C)(C)c1cccc(O)c1	C99070
MACCS_132	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_132	O=C(OCC)c1c(N)cccc1	C87252
MACCS_132	C1COCCN1	C110918
MACCS_132	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_132	O(c1ccc(N)cc1)CC	C156434
MACCS_132	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_132	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_132	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_132	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_132	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_132	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_132	N1CCCCCC1	C111499
MACCS_132	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_132	O=C1NCCC1	C616455
MACCS_132	Nc1cccc(C)c1C	C1300738
MACCS_132	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_132	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_132	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_132	Nc1c(C)cccc1CC	C24549062
MACCS_132	CN1CCOCC1	C109024
MACCS_132	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_132	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_132	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_132	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_132	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_132	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_132	O=C1NC2NC(=O)NC2N1	C496468
MACCS_132	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_132	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_132	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_132	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_132	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_132	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_132	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_132	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_132	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_132	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_132	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_132	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_132	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_132	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_132	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_132	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_132	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_132	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_132	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_132	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_132	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_132	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_132	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_132	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_132	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_132	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_132	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_132	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_132	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_132	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_132	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_132	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_132	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_132	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_132	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_132	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_132	Nc1ccc(CCCCC)cc1	C33228443
MACCS_132	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_132	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_132	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_132	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_132	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_132	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_132	O=C(Nc1ccccc1)CCl	C587655
MACCS_132	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_132	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_132	NCCCN1CCOCC1	C123002
MACCS_132	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_132	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_132	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_132	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_132	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_132	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_132	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_132	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_132	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_132	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_132	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_132	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_132	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_132	O=C(N)Nc1ccccc1	C64108
MACCS_132	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_132	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_132	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_132	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_132	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_132	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_132	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_132	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_132	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_132	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_132	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_132	Nc1ccc(CCC)cc1	C2696846
MACCS_132	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_132	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_132	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_132	Nc1ccc(cc1)OCCCC	C4344552
MACCS_132	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_132	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_132	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_132	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_132	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_132	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_132	S=C1NCCN1	C96457
MACCS_132	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_132	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_132	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_132	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_132	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_132	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_132	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_132	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_132	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_132	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_132	c1ccccc1Nc1ccccc1	C122394
MACCS_132	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_132	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_132	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_132	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_132	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_132	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_132	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_132	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_132	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_132	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_132	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_132	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_132	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_132	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_132	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_132	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_132	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_132	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_132	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_132	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_132	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_132	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_132	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_132	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_132	O=C(SCC)N1CCCCCC1	C2212671
MACCS_132	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_132	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_132	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_132	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_132	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_132	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_132	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_132	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_132	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_132	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_132	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_132	CN1CN(C)CSC1=S	C533744
MACCS_132	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_132	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_132	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_132	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_132	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_132	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_132	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_132	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_132	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_132	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_132	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_132	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_132	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_132	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_132	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_132	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_132	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_132	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_132	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_132	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_132	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_132	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_132	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_132	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_132	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_132	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_132	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_132	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_132	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_132	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_132	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_132	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_132	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_132	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_132	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_132	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_132	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_132	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_132	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_132	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_132	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_132	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_132	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_132	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_132	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_132	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_132	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_132	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_132	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_132	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_132	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_132	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_132	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_132	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_132	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_132	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_132	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_132	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_132	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_132	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_132	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_132	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_132	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_132	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_132	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_132	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_132	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_132	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_132	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_132	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_132	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_132	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_132	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_132	O=C1CCCCCN1	C105602
MACCS_132	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_132	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_132	Nc1c(ccc(c1)Cl)N	C95830
MACCS_132	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_132	Nc1ccc(cc1)Cl	C106478
MACCS_132	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_132	Nc1cc(ccc1OC)C	C120718
MACCS_132	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_132	Nc1c(ccc(c1)N)C	C95807
MACCS_132	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_132	CN(c1ccccc1)C	C121697
MACCS_132	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_132	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_132	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_132	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_132	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_132	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_132	C1N2CN3CN(C2)CN1C3	C100970
MACCS_132	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_132	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_132	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_132	O=C1N(CCC1)C	C872504
MACCS_132	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_132	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_132	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_132	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_132	Nc1cc2c(cccc2)cc1	C91598
MACCS_132	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_132	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_132	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_132	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_132	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_132	O=[N+](c1ccccc1)[O-]	C98953
MACCS_132	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_132	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_132	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_132	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_132	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_132	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_132	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_132	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_132	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_132	Nc1cc(ccc1)N	C108452
MACCS_132	C1CNCCN1	C110850
MACCS_132	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_132	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_132	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_132	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_132	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_132	O=C1N(C=C)CCC1	C88120
MACCS_132	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_132	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_132	CC1(C)NC(=O)NC1=O	C77714
MACCS_132	CCN(CC)c1ccccc1	C91667
MACCS_132	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_132	CN(C)c1ccc(C)cc1	C99978
MACCS_132	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_132	CCNc1cc(C)ccc1	C102272
MACCS_132	Nc1ccc(C)cc1	C106490
MACCS_132	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_132	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_132	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_132	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_132	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_132	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_132	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_132	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_132	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_132	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_132	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_132	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_132	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_132	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_132	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_132	O=N(=O)c1ccc(C)cc1	C99990
MACCS_132	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_132	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_132	Nc1c(OC)cccc1	C90040
MACCS_132	NC1CCCCC1	C108918
MACCS_132	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_132	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_132	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_132	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_132	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_132	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_132	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_132	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_132	O=C(O)c1ccc(N)cc1	C150130
MACCS_132	Oc1c(ccc(N)c1)C	C2835952
MACCS_132	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_132	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_132	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_132	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_132	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_132	Nc1cc(C)ccc1N	C496720
MACCS_132	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_132	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_132	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_132	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_132	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_132	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_132	N(c1ccccc1)CC	C103695
MACCS_132	O=C(OC)c1c(N)cccc1	C134203
MACCS_132	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_132	Nc1c(N)cccc1	C95545
MACCS_132	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_132	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_132	Nc1c(cccc1)C	C95534
MACCS_132	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_132	Nc1c(cccc1C)C	C87627
MACCS_132	Nc1cccc(C)c1	C108441
MACCS_132	Nc1c(CC)cccc1CC	C579668
MACCS_132	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_132	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_132	Nc1cccc(C)c1N	C2687254
MACCS_132	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_132	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_132	CCC12N(COC1)COC2	C7747355
MACCS_132	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_132	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_132	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_132	Nn1cnnc1	C584134
MACCS_132	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_132	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_132	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_132	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_132	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_132	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_132	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_132	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_132	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_132	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_132	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_132	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_132	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_132	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_132	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_132	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_132	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_132	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_132	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_132	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_132	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_132	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_132	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_132	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_132	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_132	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_132	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_132	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_132	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_132	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_132	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_132	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_132	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_132	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_132	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_132	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_132	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_132	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_132	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_132	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_132	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_132	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_132	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_132	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_132	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_132	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_132	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_132	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_132	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_132	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_132	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_132	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_132	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_132	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_132	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_132	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_132	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_132	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_132	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_132	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_132	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_132	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_132	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_132	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_132	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_132	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_132	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_132	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_132	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_132	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_132	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_132	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_132	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_132	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_132	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_132	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_132	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_132	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_132	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_132	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_132	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_132	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_132	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_132	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_132	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_132	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_132	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_132	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_132	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_132	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_132	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_132	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_132	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_132	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_132	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_132	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_132	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_132	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_132	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_132	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_132	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_132	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_132	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_132	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_132	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_132	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_132	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_132	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_132	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_132	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_132	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_132	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_132	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_132	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_132	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_132	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_132	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_132	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_132	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_132	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_132	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_132	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_132	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_132	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_132	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_132	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_132	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_132	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_132	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_132	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_132	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_132	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_132	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_132	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_132	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_132	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_132	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_132	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_132	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_132	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_132	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_132	Clc1ccc(N)cc1.Cl	C20265967
MACCS_132	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_132	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_132	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_132	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_132	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_132	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_132	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_132	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_132	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_132	NNc1ccccc1.Cl	C59881
MACCS_132	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_132	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_132	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_132	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_132	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_132	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_132	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_132	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_132	CN(C)c1ccc(C=O)cc1	C100107
MACCS_132	Nc1ccc(Br)cc1	C106401
MACCS_132	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_132	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_132	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_132	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_132	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_132	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_132	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_132	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_132	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_132	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_132	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_132	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_132	Nc1ccc(OC)cc1	C104949
MACCS_132	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_132	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_132	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_132	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_132	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_132	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_132	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_132	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_132	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_132	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_132	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_132	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_132	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_132	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_132	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_132	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_132	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_132	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_132	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_132	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_132	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_132	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_132	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_132	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_132	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_132	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_132	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_132	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_132	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_132	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_132	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_132	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_132	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_132	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_132	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_132	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_132	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_132	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_132	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_132	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_132	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_132	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_132	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_132	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_132	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_132	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_132	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_132	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_132	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_132	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_132	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_132	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_132	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_132	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_132	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_132	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_132	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_132	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_132	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_132	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_132	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_132	O=CN1CCCCC1	C2591868
MACCS_132	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_132	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_132	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_132	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_132	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_132	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_132	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_132	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_132	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_132	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_132	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_132	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_132	Nc1cccc(C)n1	C1824813
MACCS_132	CC1COc2ccccc2N1	C32329207
MACCS_132	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_132	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_132	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_132	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_132	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_132	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_132	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_132	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_132	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_132	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_132	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_132	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_132	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_132	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_133	Nc1ccccc1.Cl	C142041
MACCS_133	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_133	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_133	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_133	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_133	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_133	Clc1c(ccc(c1)N)C	C95749
MACCS_133	O=CCCl	C107200
MACCS_133	ClCOC	C107302
MACCS_133	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_133	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_133	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_133	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_133	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_133	BrCCBr	C106934
MACCS_133	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_133	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_133	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_133	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_133	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_133	OC(CO)CCl	C96242
MACCS_133	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
MACCS_133	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_133	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_133	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_133	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_133	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_133	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_133	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_133	Nc1ccccc1C.Cl	C636215
MACCS_133	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_133	ClCC(Cl)CCl	C96184
MACCS_133	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_133	F[B-](F)(F)F.[Na+]	C13755298
MACCS_133	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_133	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_133	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_133	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_133	Oc1ccc(Cl)cc1	C106489
MACCS_133	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_133	C=CC(Cl)CCl	C760236
MACCS_133	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_133	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_133	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_133	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_133	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_133	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_133	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_133	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_133	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_133	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_133	Cl/C=C/Cl	C156605
MACCS_133	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_133	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_133	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_133	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_133	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_133	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_133	[Na+].[O-]C(=O)CF	C62748
MACCS_133	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_133	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_133	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_133	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_133	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_133	Oc1cc(Cl)ccc1Cl	C583788
MACCS_133	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_133	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_133	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_133	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_133	ClCCOP(OCCCl)OCCCl	C140089
MACCS_133	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_133	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_133	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_133	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_133	Brc1ccc(F)cc1	C460004
MACCS_133	ClP(c1ccccc1)Cl	C644973
MACCS_133	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_133	Cl[Sn](C)(C)Cl	C753731
MACCS_133	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_133	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_133	O=C(CCl)[O-].[Na+]	C3926623
MACCS_133	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_133	Clc1cccc(C)c1	C25168052
MACCS_133	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_133	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_133	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_133	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_133	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_133	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_133	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_133	ClC(Cl)(C)C	C594207
MACCS_133	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_133	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_133	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_133	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_133	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_133	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_133	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_133	Clc1c(Cl)ssc1=O	C1192525
MACCS_133	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_133	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_133	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_133	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_133	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_133	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_133	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_133	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_133	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_133	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_133	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_133	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_133	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_133	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_133	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_133	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_133	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_133	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_133	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_133	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_133	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_133	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_133	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_133	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_133	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_133	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_133	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_133	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_133	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_133	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_133	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_133	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_133	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_133	O=C(CBr)OCc1ccccc1	C5437456
MACCS_133	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_133	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_133	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_133	[Na]I	C7681825
MACCS_133	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_133	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_133	O=C(Nc1ccccc1)CCl	C587655
MACCS_133	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_133	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_133	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_133	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_133	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_133	Cl[Dy](Cl)Cl	C10025748
MACCS_133	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_133	O=C(CF)O	C144490
MACCS_133	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_133	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_133	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_133	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_133	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_133	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_133	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_133	NCCN.I.I	C5700492
MACCS_133	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_133	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_133	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_133	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_133	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_133	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_133	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_133	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_133	Clc1ccc(CCCC)cc1	C15499271
MACCS_133	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_133	Clc1ccc(CCCCC)cc1	C79098207
MACCS_133	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_133	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_133	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_133	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_133	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_133	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_133	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_133	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_133	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_133	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_133	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_133	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_133	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_133	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_133	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_133	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_133	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_133	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_133	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_133	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_133	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_133	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_133	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_133	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_133	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_133	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_133	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_133	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_133	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_133	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_133	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_133	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_133	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_133	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_133	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_133	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_133	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_133	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_133	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_133	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_133	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_133	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_133	ClCCP(=O)(O)O	C16672870
MACCS_133	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_133	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_133	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_133	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_133	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_133	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_133	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_133	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_133	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_133	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_133	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_133	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_133	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_133	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_133	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_133	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_133	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_133	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_133	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_133	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_133	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_133	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_133	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_133	O=C(NCCCC)OCC#CI	C55406536
MACCS_133	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_133	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_133	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_133	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_133	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_133	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_133	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_133	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_133	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_133	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_133	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_133	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_133	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_133	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_133	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_133	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_133	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_133	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_133	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_133	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_133	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_133	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_133	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_133	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_133	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_133	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_133	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_133	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_133	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_133	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_133	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_133	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_133	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_133	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_133	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_133	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_133	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_133	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_133	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_133	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_133	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_133	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_133	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_133	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_133	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_133	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_133	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_133	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_133	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_133	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_133	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_133	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_133	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_133	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_133	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_133	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_133	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_133	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_133	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_133	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_133	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_133	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_133	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_133	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_133	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_133	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_133	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_133	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_133	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_133	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_133	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_133	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_133	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_133	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_133	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_133	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_133	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_133	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_133	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_133	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_133	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_133	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_133	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_133	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_133	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_133	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_133	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_133	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_133	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_133	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_133	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_133	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_133	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_133	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_133	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_133	OCC(CO)(CBr)CBr	C3296900
MACCS_133	ClCCOCCCl	C111444
MACCS_133	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_133	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_133	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_133	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_133	Nc1c(ccc(c1)Cl)N	C95830
MACCS_133	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_133	O=C(c1ccccc1)CCl	C532274
MACCS_133	Nc1ccc(cc1)Cl	C106478
MACCS_133	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_133	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_133	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_133	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
MACCS_133	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_133	OC(=O)C(Cl)Cl	C79436
MACCS_133	Clc1c(cccc1)Cl	C95501
MACCS_133	Clc1ccc(cc1)Cl	C106467
MACCS_133	Clc1c(ccc(c1)Cl)O	C120832
MACCS_133	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_133	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_133	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_133	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_133	O=C(N(C)C)Cl	C79447
MACCS_133	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_133	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_133	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_133	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_133	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_133	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_133	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_133	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_133	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_133	[Hg+2].[Cl-].[Cl-]	C7487947
MACCS_133	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_133	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_133	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_133	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_133	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_133	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_133	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_133	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_133	Oc1ccccc1Cl	C95578
MACCS_133	CC(Cl)(Cl)C(=O)O	C75990
MACCS_133	Oc1cc(C)c(Cl)cc1	C59507
MACCS_133	ClCCO	C107073
MACCS_133	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_133	Clc1cc(Cl)ccc1	C541731
MACCS_133	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_133	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_133	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_133	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_133	Cc1ccccc1Cl	C95498
MACCS_133	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_133	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_133	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_133	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_133	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_133	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_133	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_133	Cc1ccc(Cl)cc1	C106434
MACCS_133	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_133	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_133	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_133	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_133	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_133	OC(CCl)CCl	C96231
MACCS_133	c1(ccccc1)C(Cl)Cl	C98873
MACCS_133	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_133	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_133	Clc1c(Cl)cccc1Cl	C87616
MACCS_133	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_133	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_133	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_133	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_133	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_133	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_133	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_133	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_133	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_133	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_133	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_133	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_133	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_133	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_133	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_133	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_133	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_133	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_133	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_133	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_133	O=c1n(C)sc(Cl)c1	C26172554
MACCS_133	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_133	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_133	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_133	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_133	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_133	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_133	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_133	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_133	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_133	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_133	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_133	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_133	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_133	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_133	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_133	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_133	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_133	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_133	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_133	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_133	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_133	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_133	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_133	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_133	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_133	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_133	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_133	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_133	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_133	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_133	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_133	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_133	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_133	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_133	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_133	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_133	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_133	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_133	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_133	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_133	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_133	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_133	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_133	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_133	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_133	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_133	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_133	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_133	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_133	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_133	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_133	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_133	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_133	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_133	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_133	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_133	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_133	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_133	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_133	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_133	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_133	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_133	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_133	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_133	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_133	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_133	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_133	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_133	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_133	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_133	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_133	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_133	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_133	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_133	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_133	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_133	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_133	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_133	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_133	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_133	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_133	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_133	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_133	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_133	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_133	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_133	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_133	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_133	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_133	[Na+].[O-][Cl]=O	C7758192
MACCS_133	N#CC(Br)Br	C3252435
MACCS_133	OCCCBr	C627189
MACCS_133	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_133	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_133	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_133	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_133	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_133	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_133	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_133	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_133	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_133	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_133	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_133	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_133	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_133	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_133	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_133	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_133	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_133	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_133	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_133	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_133	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_133	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_133	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_133	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_133	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_133	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_133	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_133	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_133	[Cl-].[Cd+2].[Cl-]	C10108642
MACCS_133	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_133	Clc1ccc(N)cc1.Cl	C20265967
MACCS_133	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_133	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_133	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_133	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_133	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_133	NNc1ccccc1.Cl	C59881
MACCS_133	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_133	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_133	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_133	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_133	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_133	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_133	O=C(CCl)CCl	C534076
MACCS_133	Nc1ccc(Br)cc1	C106401
MACCS_133	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_133	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_133	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_133	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_133	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_133	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_133	Brc1ccccc1c1ccccc1	C2052075
MACCS_133	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_133	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_133	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_133	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_133	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_133	ClC(=O)C(CC)CCCC	C760678
MACCS_133	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_133	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_133	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_133	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_133	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_133	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_133	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_133	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_133	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_133	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_133	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_133	Cl[In](Cl)Cl	C10025828
MACCS_133	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_133	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_133	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_133	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_133	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_133	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_133	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_133	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_133	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_133	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_133	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_133	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_133	Br[Sn](CC)(CC)CC	C2767546
MACCS_133	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_133	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_133	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_133	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_133	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_133	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_133	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_133	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_133	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_133	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_133	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_133	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_133	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_133	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_133	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_133	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_133	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_133	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_133	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_133	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_133	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_133	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_133	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_133	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_133	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_133	[Hg+2].[I-].[I-]	C7774290
MACCS_133	Cl[Hg]c1ccccc1	C100561
MACCS_133	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_133	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_133	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_133	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_133	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_133	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_133	IC(=C(I)I)I	C513928
MACCS_133	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_133	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_133	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_133	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_133	Cl[Sb](Cl)Cl	C10025919
MACCS_133	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_133	CCCCCCCCCCCCN.Cl	C929737
MACCS_133	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_133	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_133	Cl[Au](Cl)Cl	C13453071
MACCS_133	BrCCCCCCCCCCCC	C143157
MACCS_133	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_133	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_133	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_133	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_133	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_133	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_133	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_133	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_133	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_133	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_133	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_133	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_133	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_133	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_133	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_133	Cl[In](Cl)Cl.O.O	C143983919
MACCS_133	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_133	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_134	c1(nc[nH]n1)N	C61825
MACCS_134	Nc1ccccc1.Cl	C142041
MACCS_134	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_134	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_134	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_134	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_134	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_134	Clc1c(ccc(c1)N)C	C95749
MACCS_134	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_134	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_134	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_134	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_134	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_134	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_134	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_134	Nc1ccc(cc1)N	C106503
MACCS_134	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_134	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_134	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_134	Nc1ccccc1C.Cl	C636215
MACCS_134	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_134	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_134	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_134	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_134	Nc1ccc(CCCC)cc1	C104132
MACCS_134	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_134	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_134	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_134	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_134	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_134	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_134	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_134	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_134	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_134	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_134	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_134	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_134	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_134	N(C)(C)c1cccc(O)c1	C99070
MACCS_134	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_134	O=C(OCC)c1c(N)cccc1	C87252
MACCS_134	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_134	O(c1ccc(N)cc1)CC	C156434
MACCS_134	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_134	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_134	Nc1cccc(C)c1C	C1300738
MACCS_134	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_134	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_134	Nc1c(C)cccc1CC	C24549062
MACCS_134	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_134	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_134	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_134	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_134	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_134	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_134	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_134	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_134	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_134	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_134	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_134	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_134	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_134	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_134	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_134	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_134	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_134	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_134	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_134	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_134	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_134	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_134	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_134	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_134	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_134	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_134	Nc1ccc(CCCCC)cc1	C33228443
MACCS_134	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_134	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_134	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_134	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_134	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_134	O=C(Nc1ccccc1)CCl	C587655
MACCS_134	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_134	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_134	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_134	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_134	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_134	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_134	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_134	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_134	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_134	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_134	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_134	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_134	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_134	O=C(N)Nc1ccccc1	C64108
MACCS_134	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_134	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_134	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_134	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_134	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_134	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_134	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_134	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_134	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_134	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_134	Nc1ccc(CCC)cc1	C2696846
MACCS_134	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_134	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_134	Nc1ccc(cc1)OCCCC	C4344552
MACCS_134	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_134	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_134	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_134	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_134	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_134	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_134	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_134	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_134	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_134	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_134	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_134	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_134	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_134	c1ccccc1Nc1ccccc1	C122394
MACCS_134	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_134	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_134	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_134	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_134	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_134	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_134	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_134	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_134	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_134	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_134	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_134	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_134	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_134	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_134	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_134	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_134	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_134	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_134	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_134	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_134	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_134	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_134	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_134	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_134	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_134	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_134	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_134	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_134	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_134	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_134	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_134	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_134	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_134	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_134	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_134	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_134	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_134	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_134	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_134	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_134	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_134	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_134	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_134	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_134	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_134	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_134	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_134	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_134	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_134	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_134	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_134	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_134	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_134	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_134	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_134	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_134	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_134	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_134	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_134	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_134	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_134	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_134	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_134	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_134	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_134	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_134	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_134	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_134	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_134	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_134	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_134	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_134	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_134	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_134	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_134	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_134	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_134	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_134	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_134	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_134	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_134	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_134	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_134	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_134	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_134	Nc1c(ccc(c1)Cl)N	C95830
MACCS_134	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_134	Nc1ccc(cc1)Cl	C106478
MACCS_134	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_134	Nc1cc(ccc1OC)C	C120718
MACCS_134	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_134	Nc1c(ccc(c1)N)C	C95807
MACCS_134	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_134	CN(c1ccccc1)C	C121697
MACCS_134	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_134	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_134	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_134	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_134	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_134	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_134	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_134	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_134	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_134	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_134	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_134	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_134	Nc1cc2c(cccc2)cc1	C91598
MACCS_134	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_134	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_134	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_134	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_134	O=[N+](c1ccccc1)[O-]	C98953
MACCS_134	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_134	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_134	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_134	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_134	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_134	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_134	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_134	Nc1cc(ccc1)N	C108452
MACCS_134	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_134	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_134	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_134	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_134	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_134	CCN(CC)c1ccccc1	C91667
MACCS_134	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_134	CN(C)c1ccc(C)cc1	C99978
MACCS_134	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_134	CCNc1cc(C)ccc1	C102272
MACCS_134	Nc1ccc(C)cc1	C106490
MACCS_134	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_134	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_134	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_134	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_134	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_134	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_134	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_134	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_134	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_134	O=N(=O)c1ccc(C)cc1	C99990
MACCS_134	Nc1c(OC)cccc1	C90040
MACCS_134	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_134	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_134	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_134	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_134	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_134	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_134	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_134	O=C(O)c1ccc(N)cc1	C150130
MACCS_134	Oc1c(ccc(N)c1)C	C2835952
MACCS_134	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_134	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_134	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_134	Nc1cc(C)ccc1N	C496720
MACCS_134	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_134	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_134	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_134	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_134	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_134	N(c1ccccc1)CC	C103695
MACCS_134	O=C(OC)c1c(N)cccc1	C134203
MACCS_134	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_134	Nc1c(N)cccc1	C95545
MACCS_134	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_134	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_134	Nc1c(cccc1)C	C95534
MACCS_134	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_134	Nc1c(cccc1C)C	C87627
MACCS_134	Nc1cccc(C)c1	C108441
MACCS_134	Nc1c(CC)cccc1CC	C579668
MACCS_134	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_134	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_134	Nc1cccc(C)c1N	C2687254
MACCS_134	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_134	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_134	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_134	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_134	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_134	Nn1cnnc1	C584134
MACCS_134	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_134	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_134	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_134	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_134	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_134	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_134	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_134	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_134	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_134	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_134	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_134	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_134	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_134	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_134	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_134	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_134	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_134	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_134	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_134	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_134	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_134	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_134	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_134	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_134	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_134	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_134	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_134	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_134	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_134	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_134	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_134	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_134	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_134	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_134	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_134	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_134	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_134	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_134	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_134	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_134	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_134	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_134	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_134	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_134	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_134	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_134	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_134	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_134	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_134	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_134	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_134	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_134	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_134	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_134	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_134	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_134	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_134	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_134	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_134	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_134	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_134	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_134	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_134	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_134	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_134	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_134	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_134	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_134	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_134	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_134	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_134	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_134	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_134	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_134	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_134	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_134	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_134	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_134	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_134	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_134	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_134	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_134	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_134	Clc1ccc(N)cc1.Cl	C20265967
MACCS_134	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_134	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_134	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_134	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_134	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_134	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_134	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_134	NNc1ccccc1.Cl	C59881
MACCS_134	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_134	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_134	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_134	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_134	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_134	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_134	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_134	CN(C)c1ccc(C=O)cc1	C100107
MACCS_134	Nc1ccc(Br)cc1	C106401
MACCS_134	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_134	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_134	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_134	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_134	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_134	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_134	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_134	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_134	Nc1ccc(OC)cc1	C104949
MACCS_134	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_134	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_134	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_134	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_134	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_134	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_134	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_134	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_134	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_134	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_134	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_134	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_134	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_134	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_134	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_134	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_134	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_134	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_134	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_134	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_134	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_134	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_134	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_134	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_134	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_134	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_134	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_134	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_134	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_134	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_134	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_134	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_134	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_134	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_134	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_134	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_134	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_134	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_134	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_134	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_134	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_134	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_134	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_134	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_134	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_134	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_134	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_134	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_134	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_134	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_134	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_134	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_134	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_134	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_134	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_134	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_134	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_134	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_134	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_134	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_134	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_134	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_134	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_134	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_134	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_134	Nc1cccc(C)n1	C1824813
MACCS_134	CC1COc2ccccc2N1	C32329207
MACCS_134	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_134	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_134	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_134	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_134	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_134	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_134	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_134	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_134	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_134	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_135	CC(=O)N	C60355
MACCS_135	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_135	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_135	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_135	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_135	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_135	CC(=O)OCc1ccccc1	C140114
MACCS_135	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_135	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_135	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_135	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_135	O=CCCl	C107200
MACCS_135	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_135	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_135	O=C1CCCCC1	C108941
MACCS_135	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_135	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_135	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_135	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_135	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_135	CN(C)C(=O)C	C127195
MACCS_135	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_135	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_135	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_135	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_135	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_135	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_135	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_135	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_135	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_135	NC(=O)OC	C598550
MACCS_135	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_135	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_135	NC(=O)c1cccnc1	C98920
MACCS_135	OC(=O)c1cccnc1	C59676
MACCS_135	O=[N+](CC)[O-]	C79243
MACCS_135	CN(C(=O)N)N=O	C684935
MACCS_135	CN(N=O)C	C62759
MACCS_135	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_135	O=NN1CCCC1	C930552
MACCS_135	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_135	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_135	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_135	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_135	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_135	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_135	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_135	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_135	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_135	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_135	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_135	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_135	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_135	O=P(OC)(OC)OC	C512561
MACCS_135	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_135	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_135	O=CCc1ccccc1	C122781
MACCS_135	O=C(O)/C=C\C(=O)O	C110167
MACCS_135	OC(=O)/C=C/C(=O)O	C110178
MACCS_135	CCCCCCCCCC=O	C112312
MACCS_135	CCCCCCCCCCCC(=O)O	C143077
MACCS_135	O=CCCCCCC	C111717
MACCS_135	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_135	CCCCCCCCC=O	C124196
MACCS_135	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_135	OC(=O)CCCC	C109524
MACCS_135	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_135	c1(O)ccccc1C(=O)N	C65452
MACCS_135	CS(=O)C	C67685
MACCS_135	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_135	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_135	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_135	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_135	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_135	O=Cc1ccccc1O	C90028
MACCS_135	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_135	CCOC(=O)CC(=O)OCC	C105533
MACCS_135	CCCC(=O)C	C107879
MACCS_135	CCCCCC(=O)C	C110430
MACCS_135	CCCCCCCCCC(=O)C	C112129
MACCS_135	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_135	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_135	CCCCCC(=O)OCC	C123660
MACCS_135	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_135	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_135	O=C(OC(C)(C)C)C	C540885
MACCS_135	CCCCCCC1OC(=O)CC1	C706149
MACCS_135	C=CC(=O)OCCO	C818611
MACCS_135	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_135	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_135	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_135	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_135	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_135	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_135	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_135	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_135	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_135	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_135	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_135	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_135	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_135	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_135	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_135	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_135	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_135	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_135	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_135	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_135	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_135	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_135	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_135	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_135	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_135	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_135	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_135	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_135	C(=O)(O)C(C)O	C50215
MACCS_135	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_135	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_135	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_135	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_135	C(=O)(O)CCC(=O)O	C110156
MACCS_135	C[Si](=O)C	C9016006
MACCS_135	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_135	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_135	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_135	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_135	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_135	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_135	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_135	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_135	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_135	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_135	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_135	OP(=O)(O)O	C7664382
MACCS_135	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_135	[Na+].[O-]C(=O)CF	C62748
MACCS_135	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_135	O=C(N)N=NC(=O)N	C123773
MACCS_135	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_135	O=C(OCCCC)C=C	C141322
MACCS_135	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_135	O=C/C=C/c1ccccc1	C14371109
MACCS_135	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_135	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_135	C(C(=O)C)C(C)(C)O	C123422
MACCS_135	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_135	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_135	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_135	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_135	O=C(CC(C)C)CC(C)C	C108838
MACCS_135	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_135	OCNC(=O)NCO	C140954
MACCS_135	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_135	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_135	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_135	O=C(OCC)c1c(N)cccc1	C87252
MACCS_135	C(CC)(C=O)CCCC	C123057
MACCS_135	CCC(=CCCC)C=O	C645625
MACCS_135	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_135	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_135	O=CCCCC=O	C111308
MACCS_135	C(=O)(O)CO	C79141
MACCS_135	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_135	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_135	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_135	O(C(C)C)C(=O)C	C108214
MACCS_135	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_135	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_135	O=C(C)C=Cc1ccccc1	C122576
MACCS_135	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_135	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_135	C(=O)(O)C(=O)O	C144627
MACCS_135	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_135	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_135	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_135	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_135	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_135	O=C(O)CS	C68111
MACCS_135	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_135	O=P(OCC)(OCC)OCC	C78400
MACCS_135	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_135	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_135	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_135	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_135	O=C(O)c1ccccc1O	C69727
MACCS_135	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_135	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_135	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_135	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_135	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_135	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_135	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_135	O=C(O)c1ccc(O)cc1	C99967
MACCS_135	O=C(C)OCC(CC)CCCC	C103093
MACCS_135	O=C1OCC(C)O1	C108327
MACCS_135	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_135	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_135	O=C(OC)CCCCCCCCC	C110429
MACCS_135	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_135	O=C(C)OCCOC(=O)C	C111557
MACCS_135	O=C(C)OCCOCCCC	C112072
MACCS_135	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_135	O=Cc1ccc(OC)cc1	C123115
MACCS_135	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_135	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_135	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_135	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_135	O=C1NCCC1	C616455
MACCS_135	O=COC(C)C	C625558
MACCS_135	O=C(N)[O-].[NH4+]	C1111780
MACCS_135	O=C(N(C)C)CCCCCCC	C1118929
MACCS_135	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_135	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_135	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_135	O=C(N(C)C)CC(=O)C	C2044646
MACCS_135	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_135	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_135	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_135	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_135	O=C(CCl)[O-].[Na+]	C3926623
MACCS_135	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_135	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_135	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_135	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_135	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_135	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_135	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_135	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_135	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_135	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_135	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_135	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_135	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_135	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_135	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_135	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_135	O=C(c1ccc(O)cc1)C	C99934
MACCS_135	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_135	O=C1CCCC1	C120923
MACCS_135	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_135	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_135	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_135	O=C(C=C(C)C)C	C141797
MACCS_135	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_135	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_135	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_135	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_135	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_135	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_135	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_135	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_135	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_135	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_135	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_135	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_135	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_135	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_135	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_135	O=C1NC2NC(=O)NC2N1	C496468
MACCS_135	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_135	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_135	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_135	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_135	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_135	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_135	Clc1c(Cl)ssc1=O	C1192525
MACCS_135	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_135	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_135	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_135	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_135	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_135	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_135	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_135	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_135	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_135	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_135	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_135	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_135	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_135	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_135	O=S(=O)(N)O	C5329146
MACCS_135	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_135	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_135	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_135	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_135	O=C1OC(CCCCC)CC1	C104610
MACCS_135	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_135	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_135	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_135	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_135	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_135	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_135	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_135	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_135	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_135	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_135	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_135	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_135	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_135	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_135	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_135	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_135	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_135	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_135	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_135	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_135	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_135	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_135	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_135	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_135	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_135	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_135	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_135	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_135	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_135	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_135	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_135	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_135	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_135	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_135	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_135	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_135	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_135	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_135	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_135	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_135	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_135	O=C(CC)OCC	C105373
MACCS_135	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_135	O=C(c1ccccc1O)C	C118934
MACCS_135	O=C1OCC(CC)O1	C4437858
MACCS_135	O=C(CBr)OCc1ccccc1	C5437456
MACCS_135	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_135	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_135	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_135	O=C(OCC)c1c(C)cccc1	C87241
MACCS_135	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_135	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_135	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_135	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_135	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_135	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_135	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_135	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_135	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_135	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_135	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_135	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_135	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_135	O=C1CCC(O1)CC	C695067
MACCS_135	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_135	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_135	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_135	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_135	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_135	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_135	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_135	O=C(Nc1ccccc1)CCl	C587655
MACCS_135	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_135	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_135	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_135	O=C/C=C/CCC	C6728263
MACCS_135	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_135	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_135	O=C(C)OCC/C=C\CC	C3681718
MACCS_135	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_135	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_135	O=CCC/C=C\CCCCC	C21662099
MACCS_135	O=c1ccoc(CC)c1O	C4940118
MACCS_135	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_135	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_135	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_135	O=C(CCC)OCCCCC	C540181
MACCS_135	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_135	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_135	O=C(C)OC(C)c1ccccc1	C93925
MACCS_135	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_135	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_135	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_135	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_135	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_135	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_135	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_135	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_135	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_135	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_135	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_135	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_135	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_135	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_135	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_135	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_135	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_135	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_135	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_135	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_135	O=C(CC)CCCCC	C106683
MACCS_135	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_135	O=C(CF)O	C144490
MACCS_135	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_135	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_135	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_135	O=C(CCC)OCCCCCCC	C5870939
MACCS_135	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_135	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_135	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_135	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_135	OC(C)C(=O)OCCCC	C138227
MACCS_135	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_135	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_135	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_135	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_135	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_135	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_135	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_135	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_135	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_135	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_135	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_135	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_135	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_135	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_135	O=C(N)Nc1ccccc1	C64108
MACCS_135	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_135	O=C(C)OCCCCCCCC	C112141
MACCS_135	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_135	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_135	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_135	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_135	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_135	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_135	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_135	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_135	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_135	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_135	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_135	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_135	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_135	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_135	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_135	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_135	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_135	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_135	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_135	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_135	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_135	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_135	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_135	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_135	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_135	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_135	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_135	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_135	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_135	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_135	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_135	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_135	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_135	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_135	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_135	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_135	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_135	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_135	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_135	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_135	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_135	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_135	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_135	O=C1OC(CCC)CC1	C105215
MACCS_135	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_135	C=O	C50000
MACCS_135	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_135	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_135	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_135	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_135	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_135	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_135	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_135	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_135	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_135	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_135	O=C1CCC(CCC)CC1	C40649363
MACCS_135	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_135	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_135	O=C(c1ccccc1)C(C)C	C611701
MACCS_135	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_135	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_135	O=C(OC)c1c(C)cccc1	C89714
MACCS_135	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_135	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_135	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_135	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_135	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_135	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_135	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_135	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_135	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_135	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_135	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_135	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_135	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_135	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_135	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_135	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_135	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_135	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_135	C[As](=O)(C)O	C75605
MACCS_135	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_135	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_135	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_135	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_135	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_135	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_135	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_135	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_135	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_135	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_135	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_135	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_135	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_135	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_135	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_135	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_135	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_135	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_135	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_135	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_135	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_135	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_135	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_135	CSC(=NOC(=O)NC)C	C16752775
MACCS_135	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_135	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_135	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_135	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_135	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_135	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_135	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_135	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_135	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_135	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_135	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_135	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_135	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_135	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_135	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_135	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_135	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_135	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_135	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_135	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_135	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_135	ClCCP(=O)(O)O	C16672870
MACCS_135	CCCN(CCC)C(=O)SCC	C759944
MACCS_135	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_135	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_135	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_135	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_135	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_135	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_135	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_135	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_135	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_135	NP(=O)(OC)SC	C10265926
MACCS_135	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_135	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_135	O=C(SCC)N1CCCCCC1	C2212671
MACCS_135	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_135	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_135	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_135	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_135	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_135	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_135	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_135	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_135	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_135	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_135	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_135	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_135	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_135	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_135	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_135	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_135	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_135	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_135	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_135	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_135	O=C(NCCCC)OCC#CI	C55406536
MACCS_135	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_135	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_135	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_135	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_135	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_135	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_135	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_135	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_135	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_135	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_135	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_135	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_135	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_135	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_135	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_135	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_135	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_135	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_135	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_135	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_135	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_135	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_135	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_135	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_135	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_135	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_135	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_135	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_135	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_135	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_135	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_135	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_135	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_135	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_135	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_135	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_135	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_135	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_135	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_135	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_135	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_135	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_135	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_135	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_135	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_135	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_135	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_135	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_135	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_135	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_135	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_135	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_135	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_135	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_135	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_135	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_135	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_135	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_135	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_135	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_135	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_135	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_135	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_135	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_135	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_135	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_135	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_135	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_135	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_135	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_135	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_135	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_135	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_135	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_135	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_135	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_135	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_135	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_135	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_135	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_135	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_135	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_135	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_135	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_135	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_135	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_135	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_135	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_135	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_135	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_135	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_135	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_135	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_135	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_135	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_135	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_135	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_135	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_135	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_135	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_135	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_135	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_135	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_135	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_135	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_135	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_135	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_135	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_135	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_135	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_135	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_135	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_135	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_135	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_135	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_135	NC(=O)C=C	C79061
MACCS_135	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_135	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_135	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_135	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_135	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_135	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_135	OC(=O)c1ccccc1	C65850
MACCS_135	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_135	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_135	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_135	O=C1CCCO1	C96480
MACCS_135	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_135	O=C1CCCCCN1	C105602
MACCS_135	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_135	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_135	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_135	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_135	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_135	O=C(c1ccccc1)CCl	C532274
MACCS_135	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_135	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_135	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_135	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_135	O=c1oc2c(cccc2)cc1	C91645
MACCS_135	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_135	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_135	OC(=O)C(Cl)Cl	C79436
MACCS_135	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_135	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_135	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_135	O=C(N(C)C)Cl	C79447
MACCS_135	CN(C=O)C	C68122
MACCS_135	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_135	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_135	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_135	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_135	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_135	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_135	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_135	O=Cc1ccco1	C98011
MACCS_135	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_135	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_135	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_135	O=C(c1ccncc1)NN	C54853
MACCS_135	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_135	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_135	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_135	CS(=O)(=O)OC	C66273
MACCS_135	O=C1N(CCC1)C	C872504
MACCS_135	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_135	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_135	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_135	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_135	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_135	O=N[O-].[Na+]	C7632000
MACCS_135	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_135	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_135	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_135	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_135	O=[N+](c1ccccc1)[O-]	C98953
MACCS_135	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_135	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_135	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_135	O=NN(CCCC)CCCC	C924163
MACCS_135	CCN(CC)N=O	C55185
MACCS_135	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_135	O=NN(CCC)CCC	C621647
MACCS_135	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_135	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_135	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_135	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_135	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_135	O=S1(=O)CCCO1	C1120714
MACCS_135	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_135	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_135	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_135	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_135	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_135	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_135	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_135	OC(=O)C=CC=CC	C110441
MACCS_135	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_135	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_135	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_135	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_135	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_135	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_135	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_135	C(=O)(N)N	C57136
MACCS_135	NC(=O)OCC	C51796
MACCS_135	O=C1N(C=C)CCC1	C88120
MACCS_135	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_135	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_135	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_135	OC(=O)CCC	C107926
MACCS_135	CCCCCCCCCC(=O)O	C334485
MACCS_135	CC(Cl)(Cl)C(=O)O	C75990
MACCS_135	O=C(O)CCCCCC	C111148
MACCS_135	OC(=O)CCCCC(=O)O	C124049
MACCS_135	CCCCCC(=O)O	C142621
MACCS_135	CCCCCCCCC(=O)O	C112050
MACCS_135	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_135	CCCCCCCC=O	C124130
MACCS_135	CCCCCCCC(=O)O	C124072
MACCS_135	CCCCC=O	C110623
MACCS_135	CC1(C)NC(=O)NC1=O	C77714
MACCS_135	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_135	c1ccccc1C(=O)C	C98862
MACCS_135	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_135	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_135	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_135	CC(=O)OCCOCC	C111159
MACCS_135	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_135	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_135	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_135	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_135	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_135	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_135	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_135	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_135	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_135	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_135	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_135	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_135	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_135	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_135	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_135	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_135	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_135	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_135	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_135	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_135	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_135	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_135	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_135	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_135	C(=O)(O)C(CCC)CCC	C99661
MACCS_135	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_135	O=N(=O)c1ccc(C)cc1	C99990
MACCS_135	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_135	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_135	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_135	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_135	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_135	O=S(=O)(OCC)OCC	C64675
MACCS_135	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_135	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_135	O=S(=O)(OC)OC	C77781
MACCS_135	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_135	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_135	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_135	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_135	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_135	O=C=NCCCCCCN=C=O	C822060
MACCS_135	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_135	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_135	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_135	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_135	O=C(O)c1ccc(N)cc1	C150130
MACCS_135	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_135	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_135	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_135	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_135	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_135	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_135	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_135	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_135	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_135	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_135	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_135	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_135	COC(=O)CCCC(=O)OC	C1119400
MACCS_135	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_135	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_135	C(=O)(OC)CCC(=O)OC	C106650
MACCS_135	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_135	O=C(O)C(CCCC)CC	C149575
MACCS_135	C(=O)(N)NO	C127071
MACCS_135	C(CC(C)C)OC(=O)C	C123922
MACCS_135	o1c(C)c(O)c(=O)cc1	C118718
MACCS_135	O=C(OC)c1c(N)cccc1	C134203
MACCS_135	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_135	O=C(OC)c1c(O)cccc1	C119368
MACCS_135	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_135	O=c1ccsn1CCCCCCCC	C26530201
MACCS_135	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_135	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_135	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_135	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_135	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_135	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_135	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_135	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_135	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_135	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_135	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_135	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_135	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_135	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_135	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_135	O=C(OC)CCCCCCC	C111115
MACCS_135	O=C(OC)CCCCCCCCCCC	C111820
MACCS_135	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_135	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_135	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_135	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_135	O=C(C)OCCCCC	C628637
MACCS_135	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_135	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_135	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_135	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_135	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_135	O=C(O)C(O)CC(=O)O	C6915157
MACCS_135	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_135	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_135	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_135	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_135	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_135	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_135	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_135	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_135	O=C(OC)CC(=O)OC	C108598
MACCS_135	O=C(N)C(=C)C	C79390
MACCS_135	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_135	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_135	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_135	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_135	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_135	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_135	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_135	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_135	O=Cc1ccccc1C=O	C643798
MACCS_135	O=c1[nH]sc2c1cccc2	C2634335
MACCS_135	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_135	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_135	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_135	O=c1n(C)sc(Cl)c1	C26172554
MACCS_135	O=C1CCC(O1)CCCCCCC	C104676
MACCS_135	O=C(O)CCCCCCCCC=C	C112389
MACCS_135	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_135	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_135	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_135	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_135	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_135	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_135	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_135	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_135	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_135	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_135	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_135	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_135	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_135	O=C(OCC)CCC(=O)OCC	C123251
MACCS_135	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_135	O=C(CCC)OCC	C105544
MACCS_135	O=C(OCC)CCCCCC	C106309
MACCS_135	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_135	O=C(OCCCC)c1ccccc1	C136607
MACCS_135	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_135	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_135	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_135	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_135	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_135	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_135	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_135	O=C(CCC)OCCC(C)C	C106274
MACCS_135	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_135	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_135	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_135	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_135	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_135	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_135	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_135	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_135	O=C(C)NC	C79163
MACCS_135	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_135	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_135	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_135	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_135	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_135	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_135	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_135	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_135	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_135	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_135	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_135	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_135	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_135	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_135	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_135	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_135	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_135	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_135	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_135	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_135	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_135	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_135	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_135	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_135	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_135	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_135	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_135	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_135	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_135	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_135	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_135	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_135	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_135	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_135	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_135	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_135	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_135	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_135	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_135	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_135	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_135	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_135	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_135	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_135	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_135	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_135	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_135	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_135	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_135	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_135	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_135	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_135	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_135	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_135	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_135	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_135	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_135	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_135	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_135	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_135	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_135	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_135	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_135	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_135	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_135	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_135	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_135	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_135	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_135	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_135	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_135	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_135	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_135	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_135	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_135	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_135	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_135	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_135	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_135	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_135	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_135	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_135	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_135	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_135	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_135	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_135	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_135	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_135	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_135	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_135	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_135	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_135	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_135	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_135	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_135	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_135	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_135	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_135	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_135	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_135	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_135	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_135	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_135	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_135	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_135	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_135	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_135	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_135	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_135	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_135	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_135	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_135	C(=O)N	C75127
MACCS_135	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_135	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_135	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_135	[Na+].[O-][Cl]=O	C7758192
MACCS_135	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_135	C(=O)(C)O	C64197
MACCS_135	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_135	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_135	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_135	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_135	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_135	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_135	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_135	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_135	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_135	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_135	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_135	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_135	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_135	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_135	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_135	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_135	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_135	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_135	O=[Si]=O	C7631869
MACCS_135	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_135	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_135	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_135	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_135	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_135	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_135	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_135	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_135	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_135	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_135	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_135	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_135	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_135	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_135	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_135	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_135	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_135	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_135	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_135	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_135	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_135	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_135	O=CCC(C)CCC=C(C)C	C106230
MACCS_135	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_135	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_135	O=COCC	C109944
MACCS_135	O=C(OCC)c1ccccc1	C93890
MACCS_135	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_135	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_135	O=CCCSC	C3268493
MACCS_135	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_135	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_135	CC(=O)OCC	C141786
MACCS_135	CC(=O)OCCCC	C123864
MACCS_135	CC(=O)CCC(C)C	C110123
MACCS_135	CC(=O)CC(C)C	C108101
MACCS_135	CC(C)C=O	C78842
MACCS_135	CCCCCC=O	C66251
MACCS_135	CCCC=O	C123728
MACCS_135	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_135	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_135	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_135	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_135	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_135	CC1CC(=O)O1	C3068880
MACCS_135	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_135	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_135	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_135	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_135	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_135	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_135	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_135	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_135	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_135	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_135	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_135	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_135	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_135	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_135	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_135	O=C(CCl)CCl	C534076
MACCS_135	CC(=O)C(=O)O	C127173
MACCS_135	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_135	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_135	CN(C)c1ccc(C=O)cc1	C100107
MACCS_135	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_135	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_135	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_135	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_135	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_135	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_135	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_135	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_135	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_135	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_135	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_135	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_135	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_135	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_135	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_135	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_135	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_135	O=CC=CC=CCCCCC	C25152845
MACCS_135	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_135	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_135	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_135	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_135	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_135	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_135	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_135	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_135	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_135	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_135	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_135	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_135	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_135	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_135	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_135	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_135	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_135	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_135	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_135	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_135	ClC(=O)C(CC)CCCC	C760678
MACCS_135	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_135	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_135	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_135	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_135	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_135	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_135	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_135	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_135	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_135	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_135	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_135	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_135	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_135	O=c1cc(C)o[nH]1	C10004441
MACCS_135	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_135	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_135	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_135	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_135	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_135	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_135	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_135	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_135	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_135	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_135	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_135	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_135	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_135	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_135	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_135	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_135	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_135	O=CCCCCCCCCC=C	C112458
MACCS_135	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_135	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_135	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_135	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_135	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_135	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_135	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_135	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_135	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_135	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_135	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_135	O=P(OCCCC)(O)OCCCC	C107664
MACCS_135	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_135	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_135	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_135	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_135	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_135	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_135	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_135	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_135	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_135	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_135	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_135	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_135	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_135	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_135	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_135	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_135	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_135	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_135	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_135	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_135	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_135	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_135	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_135	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_135	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_135	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_135	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_135	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_135	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_135	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_135	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_135	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_135	O=[As]c1ccccc1	C637036
MACCS_135	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_135	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_135	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_135	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_135	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_135	O=CN1CCCCC1	C2591868
MACCS_135	O=C(O)CCSCCC(=O)O	C111171
MACCS_135	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_135	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_135	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_135	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_135	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_135	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_135	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_135	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_135	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_135	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_135	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_135	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_135	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_135	O=C(OC)CCCC(=O)O	C1501275
MACCS_135	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_135	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_135	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_135	O=C(OCCCCO)C=C	C2478106
MACCS_135	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_135	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_135	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_135	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_135	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_135	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_135	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_135	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_135	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_135	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_135	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_135	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_135	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_135	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_135	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_135	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_135	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_135	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_135	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_135	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_135	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_135	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_135	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_135	O=C/C=C/CCCCCCC	C3913813
MACCS_135	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_135	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_135	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_135	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_135	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_135	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_135	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_135	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_135	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_135	NNC(=O)OCc1ccccc1	C5331431
MACCS_135	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_135	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_135	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_135	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_135	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_135	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_135	CCCCCCCCCC(C)C=O	C110418
MACCS_135	O=COCc1ccc(OC)cc1	C122918
MACCS_135	CCC(=O)C(=O)CC	C4437518
MACCS_135	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_136	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_136	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_136	c1(nc[nH]n1)N	C61825
MACCS_136	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_136	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_136	[nH]1c2c(cccc2)nn1	C95147
MACCS_136	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_136	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_136	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_136	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_136	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_136	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_136	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_136	c1cccc2[nH]ccc12	C120729
MACCS_136	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_136	NC(=O)c1cccnc1	C98920
MACCS_136	OC(=O)c1cccnc1	C59676
MACCS_136	O=NN1CCCC1	C930552
MACCS_136	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_136	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_136	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_136	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_136	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_136	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_136	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_136	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_136	OCCN1CCNCC1	C103764
MACCS_136	NCCN1CCNCC1	C140318
MACCS_136	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_136	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_136	CCCCCCC1OC(=O)CC1	C706149
MACCS_136	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_136	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_136	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_136	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_136	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_136	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_136	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_136	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_136	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_136	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_136	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_136	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_136	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_136	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_136	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_136	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_136	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_136	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_136	c1ccc2ncsc2c1	C95169
MACCS_136	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_136	C(OCCCC)C1CO1	C2426086
MACCS_136	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_136	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_136	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_136	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_136	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_136	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_136	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_136	c1c(CO)occ1	C98000
MACCS_136	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_136	C1COCCN1	C110918
MACCS_136	c12ncccc1ccc1c2nccc1	C66717
MACCS_136	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_136	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_136	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_136	Cc1cccc2nn[nH]c12	C29385431
MACCS_136	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_136	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_136	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_136	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_136	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_136	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_136	O=C1OCC(C)O1	C108327
MACCS_136	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_136	N1CCCCCC1	C111499
MACCS_136	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_136	O=C1NCCC1	C616455
MACCS_136	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_136	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_136	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_136	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_136	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_136	OCC1OCCC1	C97994
MACCS_136	CN1CCOCC1	C109024
MACCS_136	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_136	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_136	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_136	n1c[nH]cc1	C288324
MACCS_136	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_136	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_136	O=C1NC2NC(=O)NC2N1	C496468
MACCS_136	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_136	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_136	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_136	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_136	OCn1nc(C)cc1C	C85264331
MACCS_136	Clc1c(Cl)ssc1=O	C1192525
MACCS_136	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_136	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_136	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_136	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_136	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_136	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_136	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_136	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_136	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_136	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_136	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_136	O=C1OC(CCCCC)CC1	C104610
MACCS_136	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_136	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_136	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_136	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_136	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_136	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_136	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_136	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_136	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_136	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_136	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_136	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_136	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_136	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_136	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_136	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_136	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_136	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_136	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_136	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_136	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_136	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_136	O=C1OCC(CC)O1	C4437858
MACCS_136	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_136	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_136	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_136	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_136	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_136	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_136	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_136	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_136	O=C1CCC(O1)CC	C695067
MACCS_136	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_136	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_136	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_136	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_136	O1C=CCCC1	C110872
MACCS_136	O=c1ccoc(CC)c1O	C4940118
MACCS_136	NCCCN1CCOCC1	C123002
MACCS_136	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_136	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_136	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_136	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_136	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_136	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_136	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_136	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_136	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_136	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_136	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_136	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_136	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_136	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_136	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_136	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_136	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_136	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_136	O=C1OC(CCC)CC1	C105215
MACCS_136	c12ccccc1c1c(cccc1)s2	C132650
MACCS_136	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_136	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_136	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_136	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_136	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_136	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_136	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_136	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_136	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_136	S=C1NCCN1	C96457
MACCS_136	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_136	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_136	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_136	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_136	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_136	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_136	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_136	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_136	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_136	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_136	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_136	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_136	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_136	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_136	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_136	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_136	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_136	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_136	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_136	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_136	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_136	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_136	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_136	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_136	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_136	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_136	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_136	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_136	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_136	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_136	O=C(SCC)N1CCCCCC1	C2212671
MACCS_136	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_136	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_136	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_136	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_136	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_136	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_136	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_136	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_136	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_136	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_136	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_136	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_136	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_136	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_136	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_136	CN1CN(C)CSC1=S	C533744
MACCS_136	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_136	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_136	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_136	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_136	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_136	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_136	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_136	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_136	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_136	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_136	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_136	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_136	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_136	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_136	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_136	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_136	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_136	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_136	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_136	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_136	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_136	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_136	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_136	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_136	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_136	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_136	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_136	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_136	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_136	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_136	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_136	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_136	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_136	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_136	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_136	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_136	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_136	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_136	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_136	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_136	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_136	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_136	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_136	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_136	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_136	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_136	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_136	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_136	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_136	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_136	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_136	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_136	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_136	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_136	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_136	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_136	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_136	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_136	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_136	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_136	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_136	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_136	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_136	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_136	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_136	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_136	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_136	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_136	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_136	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_136	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_136	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_136	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_136	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_136	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_136	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_136	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_136	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_136	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_136	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_136	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_136	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_136	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_136	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_136	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_136	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_136	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_136	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_136	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_136	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_136	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_136	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_136	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_136	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_136	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_136	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_136	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_136	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_136	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_136	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_136	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_136	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_136	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_136	c1coc2c1cccc2	C271896
MACCS_136	O=C1CCCO1	C96480
MACCS_136	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_136	O=C1CCCCCN1	C105602
MACCS_136	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_136	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_136	O=c1oc2c(cccc2)cc1	C91645
MACCS_136	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_136	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_136	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_136	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_136	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_136	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_136	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_136	O1C2C1CCC(C2)C1CO1	C106876
MACCS_136	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_136	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_136	O=Cc1ccco1	C98011
MACCS_136	OCC1CO1	C556525
MACCS_136	C1N2CN3CN(C2)CN1C3	C100970
MACCS_136	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_136	Oc1cccc2cccnc12	C148243
MACCS_136	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_136	O=C(c1ccncc1)NN	C54853
MACCS_136	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_136	Sc1nc2c(cccc2)s1	C149304
MACCS_136	[nH]1c(=S)n(cc1)C	C60560
MACCS_136	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_136	O=C1N(CCC1)C	C872504
MACCS_136	Cc1cc2cccnc2cc1	C91623
MACCS_136	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_136	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_136	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_136	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_136	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_136	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_136	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_136	C1CNCCN1	C110850
MACCS_136	O=S1(=O)CCCO1	C1120714
MACCS_136	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_136	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_136	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_136	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_136	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_136	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_136	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_136	C1C(c2ccccc2)O1	C96093
MACCS_136	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_136	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_136	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_136	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_136	O=C1N(C=C)CCC1	C88120
MACCS_136	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_136	CC1(C)NC(=O)NC1=O	C77714
MACCS_136	n1cccc2c1cccc2	C91225
MACCS_136	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_136	c1cccc2c3ccccc3oc12	C132649
MACCS_136	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_136	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_136	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_136	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_136	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_136	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_136	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_136	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_136	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_136	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_136	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_136	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_136	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_136	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_136	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_136	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_136	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_136	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_136	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_136	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_136	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_136	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_136	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_136	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_136	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_136	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_136	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_136	o1c(C)c(O)c(=O)cc1	C118718
MACCS_136	O=c1ccsn1CCCCCCCC	C26530201
MACCS_136	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_136	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_136	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_136	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_136	N#Cc1cnccc1	C100549
MACCS_136	[nH]1ncnc1	C288880
MACCS_136	c1(c2ccncc2)ccncc1	C553264
MACCS_136	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_136	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_136	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_136	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_136	CCC12N(COC1)COC2	C7747355
MACCS_136	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_136	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_136	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_136	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_136	O=c1[nH]sc2c1cccc2	C2634335
MACCS_136	Nn1cnnc1	C584134
MACCS_136	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_136	O=c1n(C)sc(Cl)c1	C26172554
MACCS_136	O=C1CCC(O1)CCCCCCC	C104676
MACCS_136	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_136	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_136	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_136	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_136	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_136	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_136	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_136	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_136	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_136	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_136	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_136	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_136	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_136	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_136	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_136	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_136	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_136	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_136	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_136	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_136	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_136	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_136	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_136	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_136	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_136	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_136	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_136	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_136	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_136	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_136	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_136	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_136	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_136	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_136	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_136	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_136	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_136	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_136	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_136	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_136	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_136	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_136	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_136	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_136	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_136	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_136	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_136	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_136	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_136	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_136	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_136	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_136	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_136	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_136	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_136	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_136	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_136	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_136	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_136	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_136	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_136	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_136	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_136	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_136	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_136	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_136	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_136	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_136	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_136	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_136	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_136	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_136	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_136	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_136	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_136	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_136	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_136	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_136	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_136	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_136	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_136	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_136	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_136	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_136	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_136	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_136	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_136	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_136	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_136	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_136	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_136	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_136	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_136	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_136	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_136	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_136	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_136	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_136	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_136	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_136	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_136	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_136	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_136	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_136	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_136	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_136	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_136	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_136	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_136	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_136	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_136	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_136	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_136	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_136	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_136	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_136	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_136	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_136	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_136	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_136	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_136	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_136	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_136	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_136	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_136	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_136	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_136	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_136	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_136	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_136	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_136	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_136	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_136	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_136	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_136	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_136	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_136	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_136	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_136	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_136	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_136	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_136	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_136	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_136	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_136	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_136	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_136	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_136	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_136	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_136	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_136	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_136	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_136	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_136	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_136	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_136	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_136	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_136	n1cc(C)ccc1	C108996
MACCS_136	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_136	CCC1CO1	C106887
MACCS_136	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_136	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_136	CC1CC(=O)O1	C3068880
MACCS_136	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_136	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_136	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_136	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_136	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_136	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_136	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_136	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_136	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_136	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_136	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_136	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_136	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_136	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_136	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_136	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_136	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_136	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_136	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_136	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_136	c12ccccc1ccc1c2cccn1	C85029
MACCS_136	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_136	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_136	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_136	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_136	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_136	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_136	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_136	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_136	OCc1c[nH]c2c1cccc2	C700061
MACCS_136	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_136	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_136	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_136	O=c1cc(C)o[nH]1	C10004441
MACCS_136	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_136	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_136	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_136	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_136	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_136	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_136	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_136	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_136	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_136	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_136	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_136	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_136	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_136	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_136	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_136	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_136	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_136	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_136	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_136	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_136	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_136	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_136	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_136	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_136	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_136	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_136	O=CN1CCCCC1	C2591868
MACCS_136	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_136	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_136	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_136	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_136	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_136	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_136	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_136	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_136	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_136	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_136	Nc1cccc(C)n1	C1824813
MACCS_136	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_136	CC1COc2ccccc2N1	C32329207
MACCS_136	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_136	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_136	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_136	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_136	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_136	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_136	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_136	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_136	c1(SSc2cccs2)cccs1	C6911519
MACCS_136	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_136	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_136	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_136	CCCCCc1ccco1	C3777693
MACCS_136	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_136	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_137	C=CCO	C107186
MACCS_137	C=CCN=C=S	C57067
MACCS_137	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_137	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_137	CC(=O)OCc1ccccc1	C140114
MACCS_137	CC(CNCC(C)O)O	C110974
MACCS_137	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_137	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_137	O=CCCl	C107200
MACCS_137	ClCOC	C107302
MACCS_137	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_137	BrCCBr	C106934
MACCS_137	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_137	S=C(NCC)NCC	C105555
MACCS_137	CN(CCO)C	C108010
MACCS_137	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_137	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_137	OC(CO)CCl	C96242
MACCS_137	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_137	O=[N+](CC)[O-]	C79243
MACCS_137	O=NN1CCCC1	C930552
MACCS_137	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_137	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_137	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_137	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_137	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_137	ClCC(Cl)CCl	C96184
MACCS_137	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_137	OCCOCCOCCOCCCC	C143226
MACCS_137	OCCC	C71238
MACCS_137	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_137	OC(C)CN	C78966
MACCS_137	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_137	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_137	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_137	OCCN1CCNCC1	C103764
MACCS_137	CCOC(=O)CC(=O)OCC	C105533
MACCS_137	C(O)C#CCO	C110656
MACCS_137	CCNCCO	C110736
MACCS_137	CCCCCCO	C111273
MACCS_137	CCCCCCCO	C111706
MACCS_137	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_137	CCCCCC(=O)OCC	C123660
MACCS_137	CCCCCCCCCCCCN	C124221
MACCS_137	NCCN1CCNCC1	C140318
MACCS_137	CCCCCCCCCO	C143088
MACCS_137	C=CC(Cl)CCl	C760236
MACCS_137	C=CC(=O)OCCO	C818611
MACCS_137	CC/C=C\CCO	C928961
MACCS_137	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_137	CCCCCCCCCCN	C2016571
MACCS_137	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_137	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_137	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_137	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_137	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_137	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_137	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_137	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_137	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_137	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_137	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_137	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_137	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_137	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_137	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_137	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_137	NC(CO)(CO)CO	C77861
MACCS_137	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_137	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_137	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_137	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_137	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_137	CC(O)COC	C107982
MACCS_137	[Na+].[O-]C(=O)CF	C62748
MACCS_137	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_137	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_137	OCCCCO	C110634
MACCS_137	O=C(OCCCC)C=C	C141322
MACCS_137	C(OCCCC)C1CO1	C2426086
MACCS_137	C(CCN)CCCN	C124094
MACCS_137	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_137	N(CCN)CCN	C111400
MACCS_137	N(CCCN)(C)C	C109557
MACCS_137	OCNC(=O)NCO	C140954
MACCS_137	C(CCCCCC)CCCCCS	C112550
MACCS_137	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_137	O=C(OCC)c1c(N)cccc1	C87252
MACCS_137	OCC(C(O)CCC)CC	C94962
MACCS_137	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_137	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_137	c1c(CO)occ1	C98000
MACCS_137	C(=O)(O)CO	C79141
MACCS_137	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_137	C1COCCN1	C110918
MACCS_137	O(c1ccc(N)cc1)CC	C156434
MACCS_137	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_137	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_137	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_137	O=C(O)CS	C68111
MACCS_137	O=P(OCC)(OCC)OCC	C78400
MACCS_137	ClCCOP(OCCCl)OCCCl	C140089
MACCS_137	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_137	OCCc1ccccc1	C60128
MACCS_137	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_137	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_137	O=C(C)OCC(CC)CCCC	C103093
MACCS_137	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_137	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_137	O=C1OCC(C)O1	C108327
MACCS_137	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_137	N1CCCCCC1	C111499
MACCS_137	O=C(C)OCCOC(=O)C	C111557
MACCS_137	O=C(C)OCCOCCCC	C112072
MACCS_137	CCCCCCCCCCCCN(C)C	C112185
MACCS_137	OCCOCCOCCOC	C112356
MACCS_137	OCCOCCOCCOCCO	C112607
MACCS_137	OCC(CO)(CO)CO	C115775
MACCS_137	OCC(N)(C)C	C124685
MACCS_137	OCC(C)(C)CO	C126307
MACCS_137	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_137	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_137	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_137	O=C1NCCC1	C616455
MACCS_137	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_137	OC(C)COc1ccccc1	C770354
MACCS_137	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_137	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_137	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_137	OCCOCCOCCOCCOCCCC	C1559348
MACCS_137	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_137	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_137	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_137	OCCOCCC	C2807309
MACCS_137	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_137	O=C(CCl)[O-].[Na+]	C3926623
MACCS_137	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_137	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_137	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_137	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_137	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_137	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_137	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_137	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_137	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_137	CC(CO)O	C25322694
MACCS_137	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_137	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_137	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_137	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_137	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_137	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_137	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_137	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_137	OCC1OCCC1	C97994
MACCS_137	CN1CCOCC1	C109024
MACCS_137	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_137	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_137	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_137	OC(C)COCCC	C1569013
MACCS_137	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_137	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_137	OCC(CCC)CCCCC	C10042598
MACCS_137	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_137	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_137	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_137	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_137	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_137	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_137	OCCC(C)CC(C)(C)C	C3452979
MACCS_137	OC(OCCCC)CC	C29387868
MACCS_137	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_137	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_137	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_137	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_137	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_137	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_137	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_137	OCn1nc(C)cc1C	C85264331
MACCS_137	OCCSCCCCCCCC	C3547339
MACCS_137	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_137	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_137	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_137	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_137	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_137	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_137	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_137	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_137	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_137	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_137	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_137	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_137	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_137	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_137	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_137	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_137	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_137	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_137	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_137	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_137	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_137	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_137	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_137	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_137	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_137	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_137	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_137	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_137	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_137	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_137	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_137	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_137	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_137	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_137	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_137	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_137	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_137	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_137	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_137	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_137	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_137	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_137	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_137	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_137	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_137	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_137	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_137	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_137	O=C(CC)OCC	C105373
MACCS_137	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_137	O=C1OCC(CC)O1	C4437858
MACCS_137	O=C(CBr)OCc1ccccc1	C5437456
MACCS_137	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_137	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_137	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_137	O=C(OCC)c1c(C)cccc1	C87241
MACCS_137	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_137	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_137	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_137	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_137	CC(O)COCC	C1569024
MACCS_137	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_137	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_137	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_137	Oc1ccccc1CN(C)C	C120650
MACCS_137	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_137	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_137	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_137	O=C(Nc1ccccc1)CCl	C587655
MACCS_137	O1C=CCCC1	C110872
MACCS_137	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_137	O=C(C)OCC/C=C\CC	C3681718
MACCS_137	OCC=Cc1ccccc1	C104541
MACCS_137	NCCCN1CCOCC1	C123002
MACCS_137	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_137	O=C(CCC)OCCCCC	C540181
MACCS_137	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_137	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_137	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_137	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_137	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_137	OP(OCC)OCC	C762049
MACCS_137	OCCOCC(CC)CCCC	C1559359
MACCS_137	OCCN(CC)CCO	C139877
MACCS_137	CCOC(OCC)OCC	C122510
MACCS_137	CCO[Si](OCC)(OCC)CC	C78079
MACCS_137	O=C(CF)O	C144490
MACCS_137	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_137	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_137	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_137	O=C(CCC)OCCCCCCC	C5870939
MACCS_137	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_137	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_137	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_137	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_137	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_137	OC(C)C(=O)OCCCC	C138227
MACCS_137	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_137	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_137	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_137	Oc1c(OCC)cccc1	C94713
MACCS_137	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_137	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_137	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_137	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_137	OC(CO)c1ccccc1	C93561
MACCS_137	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_137	CCO[Si](OCC)(C)OCC	C2031676
MACCS_137	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_137	CO[Si](OC)(CCC)OC	C1067250
MACCS_137	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_137	O=C(C)OCCCCCCCC	C112141
MACCS_137	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_137	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_137	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_137	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_137	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_137	NCCN.I.I	C5700492
MACCS_137	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_137	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_137	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_137	OCC(CCCC)CCCCCC	C3913028
MACCS_137	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_137	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_137	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_137	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_137	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_137	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_137	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_137	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_137	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_137	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_137	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_137	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_137	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_137	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_137	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_137	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_137	OCCOCC(C)OCCO	C9003116
MACCS_137	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_137	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_137	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_137	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_137	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_137	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_137	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_137	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_137	Nc1ccc(cc1)OCCCC	C4344552
MACCS_137	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_137	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_137	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_137	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_137	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_137	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_137	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_137	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_137	S=C1NCCN1	C96457
MACCS_137	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_137	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_137	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_137	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_137	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_137	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_137	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_137	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_137	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_137	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_137	c1ccccc1OCCO	C122996
MACCS_137	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_137	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_137	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_137	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_137	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_137	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_137	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_137	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_137	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_137	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_137	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_137	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_137	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_137	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_137	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_137	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_137	ClCCP(=O)(O)O	C16672870
MACCS_137	CCCN(CCC)C(=O)SCC	C759944
MACCS_137	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_137	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_137	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_137	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_137	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_137	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_137	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_137	OCCOC	C109864
MACCS_137	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_137	O=C(SCC)N1CCCCCC1	C2212671
MACCS_137	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_137	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_137	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_137	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_137	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_137	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_137	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_137	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_137	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_137	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_137	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_137	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_137	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_137	CN1CN(C)CSC1=S	C533744
MACCS_137	C(SC#N)SC#N	C6317186
MACCS_137	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_137	O=C(NCCCC)OCC#CI	C55406536
MACCS_137	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_137	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_137	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_137	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_137	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_137	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_137	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_137	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_137	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_137	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_137	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_137	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_137	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_137	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_137	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_137	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_137	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_137	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_137	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_137	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_137	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_137	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_137	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_137	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_137	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_137	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_137	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_137	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_137	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_137	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_137	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_137	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_137	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_137	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_137	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_137	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_137	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_137	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_137	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_137	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_137	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_137	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_137	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_137	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_137	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_137	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_137	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_137	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_137	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_137	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_137	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_137	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_137	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_137	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_137	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_137	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_137	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_137	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_137	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_137	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_137	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_137	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_137	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_137	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_137	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_137	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_137	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_137	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_137	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_137	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_137	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_137	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_137	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_137	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_137	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_137	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_137	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_137	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_137	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_137	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_137	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_137	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_137	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_137	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_137	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_137	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_137	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_137	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_137	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_137	OCc1ccccc1	C100516
MACCS_137	OCC(CO)(CBr)CBr	C3296900
MACCS_137	ClCCOCCCl	C111444
MACCS_137	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_137	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_137	O=C1CCCO1	C96480
MACCS_137	O=C1CCCCCN1	C105602
MACCS_137	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_137	O=C(c1ccccc1)CCl	C532274
MACCS_137	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_137	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_137	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_137	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_137	OCCOCCO	C111466
MACCS_137	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_137	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_137	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_137	C(CO)O	C107211
MACCS_137	O1C2C1CCC(C2)C1CO1	C106876
MACCS_137	CCC(CCCC)CO	C104767
MACCS_137	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_137	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_137	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_137	OCC(O)CO	C56815
MACCS_137	OCC1CO1	C556525
MACCS_137	C1N2CN3CN(C2)CN1C3	C100970
MACCS_137	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_137	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_137	O=C1N(CCC1)C	C872504
MACCS_137	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_137	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_137	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_137	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_137	O=NN(CCCC)CCCC	C924163
MACCS_137	CCN(CC)N=O	C55185
MACCS_137	O=NN(CCC)CCC	C621647
MACCS_137	C1CNCCN1	C110850
MACCS_137	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_137	O=S1(=O)CCCO1	C1120714
MACCS_137	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_137	CC(CO)O	C57556
MACCS_137	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_137	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_137	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_137	C1C(c2ccccc2)O1	C96093
MACCS_137	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_137	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_137	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_137	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_137	OCCN(CCO)CCO	C102716
MACCS_137	OCCOCCOCCO	C112276
MACCS_137	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_137	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_137	NC(=O)OCC	C51796
MACCS_137	O=C1N(C=C)CCC1	C88120
MACCS_137	CCCCOCCOCCO	C112345
MACCS_137	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_137	CCN(CC)c1ccccc1	C91667
MACCS_137	CCN(CCO)CC	C100378
MACCS_137	CCNc1cc(C)ccc1	C102272
MACCS_137	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_137	ClCCO	C107073
MACCS_137	CC(=O)OCCOCC	C111159
MACCS_137	OCCNCCO	C111422
MACCS_137	CCCCCCCCO	C111875
MACCS_137	CCOCCOCCO	C111900
MACCS_137	CCCCCCCCCCO	C112301
MACCS_137	CCCCCCCCCCCCCO	C112709
MACCS_137	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_137	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_137	OCCN	C141435
MACCS_137	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_137	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_137	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_137	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_137	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_137	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_137	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_137	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_137	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_137	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_137	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_137	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_137	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_137	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_137	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_137	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_137	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_137	O=S(=O)(OCC)OCC	C64675
MACCS_137	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_137	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_137	CCOCCO	C110805
MACCS_137	CCCCOCCO	C111762
MACCS_137	O=C=NCCCCCCN=C=O	C822060
MACCS_137	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_137	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_137	OCCOCCOCCOCC	C112505
MACCS_137	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_137	O(CCOC)CCOC	C111966
MACCS_137	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_137	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_137	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_137	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_137	OC(CCl)CCl	C96231
MACCS_137	O(CCOC)CCO	C111773
MACCS_137	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_137	N(c1ccccc1)CC	C103695
MACCS_137	C(CC(C)C)OC(=O)C	C123922
MACCS_137	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_137	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_137	O=c1ccsn1CCCCCCCC	C26530201
MACCS_137	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_137	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_137	N(CCCC)(CCCC)CCCC	C102829
MACCS_137	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_137	C(OCCOC)COCCOC	C112492
MACCS_137	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_137	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_137	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_137	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_137	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_137	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_137	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_137	OCCC(C)CCC=C(C)C	C106229
MACCS_137	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_137	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_137	OCCC(O)C	C107880
MACCS_137	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_137	OCCOCCCCCC	C112254
MACCS_137	OCCCCCCCCCCC	C112425
MACCS_137	OCCCCCCCCCCCC	C112538
MACCS_137	OCCCCCCCCCCCCCC	C112721
MACCS_137	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_137	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_137	O=C(C)OCCCCC	C628637
MACCS_137	OCCCCCCCCCCCCCCC	C629765
MACCS_137	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_137	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_137	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_137	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_137	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_137	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_137	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_137	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_137	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_137	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_137	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_137	OC(OCCCOC)CC	C34590948
MACCS_137	OCCCCCCCCCCCCCCCC	C36653824
MACCS_137	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_137	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_137	CCC12N(COC1)COC2	C7747355
MACCS_137	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_137	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_137	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_137	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_137	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_137	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_137	S=P(OCC)(OCC)SCSCC	C298022
MACCS_137	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_137	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_137	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_137	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_137	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_137	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_137	CCCCCCCCN(C)C	C7378996
MACCS_137	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_137	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_137	O=C(OCC)CCC(=O)OCC	C123251
MACCS_137	O=C(CCC)OCC	C105544
MACCS_137	O=C(OCC)CCCCCC	C106309
MACCS_137	O=C(OCCCC)c1ccccc1	C136607
MACCS_137	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_137	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_137	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_137	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_137	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_137	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_137	O=C(CCC)OCCC(C)C	C106274
MACCS_137	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_137	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_137	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_137	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_137	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_137	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_137	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_137	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_137	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_137	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_137	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_137	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_137	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_137	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_137	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_137	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_137	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_137	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_137	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_137	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_137	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_137	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_137	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_137	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_137	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_137	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_137	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_137	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_137	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_137	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_137	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_137	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_137	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_137	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_137	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_137	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_137	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_137	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_137	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_137	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_137	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_137	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_137	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_137	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_137	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_137	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_137	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_137	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_137	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_137	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_137	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_137	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_137	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_137	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_137	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_137	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_137	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_137	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_137	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_137	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_137	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_137	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_137	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_137	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_137	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_137	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_137	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_137	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_137	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_137	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_137	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_137	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_137	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_137	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_137	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_137	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_137	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_137	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_137	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_137	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_137	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_137	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_137	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_137	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_137	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_137	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_137	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_137	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_137	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_137	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_137	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_137	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_137	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_137	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_137	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_137	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_137	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_137	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_137	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_137	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_137	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_137	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_137	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_137	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_137	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_137	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_137	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_137	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_137	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_137	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_137	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_137	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_137	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_137	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_137	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_137	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_137	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_137	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_137	OCCCBr	C627189
MACCS_137	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_137	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_137	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_137	C(CO)C(C)C	C123513
MACCS_137	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_137	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_137	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_137	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_137	NCCOCCOCCN	C929599
MACCS_137	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_137	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_137	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_137	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_137	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_137	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_137	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_137	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_137	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_137	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_137	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_137	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_137	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_137	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_137	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_137	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_137	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_137	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_137	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_137	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_137	OCCC(OC)C	C2517433
MACCS_137	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_137	S=C(NCCCC)NCCCC	C109466
MACCS_137	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_137	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_137	O=COCC	C109944
MACCS_137	O=C(OCC)c1ccccc1	C93890
MACCS_137	NCc1cccc(CN)c1	C1477550
MACCS_137	O=CCCSC	C3268493
MACCS_137	N(CCN(C)C)(C)C	C110189
MACCS_137	CCN(CC)CC	C121448
MACCS_137	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_137	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_137	CC(=O)OCC	C141786
MACCS_137	CC(=O)OCCCC	C123864
MACCS_137	NCCN	C107153
MACCS_137	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_137	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_137	CCC1CO1	C106887
MACCS_137	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_137	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_137	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_137	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_137	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_137	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_137	O=C(CCl)CCl	C534076
MACCS_137	CC(c1ccc(CO)cc1)C	C536607
MACCS_137	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_137	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_137	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_137	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_137	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_137	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_137	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_137	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_137	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_137	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_137	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_137	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_137	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_137	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_137	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_137	OCC=C(C)C	C556821
MACCS_137	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_137	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_137	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_137	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_137	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_137	OCc1c[nH]c2c1cccc2	C700061
MACCS_137	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_137	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_137	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_137	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_137	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_137	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_137	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_137	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_137	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_137	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_137	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_137	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_137	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_137	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_137	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_137	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_137	Br[Sn](CC)(CC)CC	C2767546
MACCS_137	O=P(OCCCC)(O)OCCCC	C107664
MACCS_137	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_137	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_137	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_137	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_137	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_137	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_137	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_137	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_137	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_137	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_137	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_137	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_137	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_137	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_137	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_137	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_137	N#CSCCCCCCCCCCCC	C765151
MACCS_137	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_137	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_137	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_137	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_137	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_137	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_137	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_137	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_137	O=CN1CCCCC1	C2591868
MACCS_137	O=C(O)CCSCCC(=O)O	C111171
MACCS_137	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_137	CCCCCCCCCCCCN.Cl	C929737
MACCS_137	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_137	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_137	BrCCCCCCCCCCCC	C143157
MACCS_137	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_137	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_137	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_137	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_137	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_137	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_137	O=C(OCCCCO)C=C	C2478106
MACCS_137	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_137	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_137	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_137	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_137	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_137	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_137	NCCCOCCCCCCCC	C15930662
MACCS_137	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_137	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_137	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_137	CC1COc2ccccc2N1	C32329207
MACCS_137	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_137	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_137	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_137	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_137	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_137	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_137	S=C=NCCCSC	C505793
MACCS_137	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_137	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_137	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_137	CC/C=C\CCOC(OCC)C	C28069741
MACCS_137	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_137	NNC(=O)OCc1ccccc1	C5331431
MACCS_137	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_137	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_137	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_137	O=COCc1ccc(OC)cc1	C122918
MACCS_137	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_137	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_138	C=CCO	C107186
MACCS_138	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_138	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_138	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_138	CC(CNCC(C)O)O	C110974
MACCS_138	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_138	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_138	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_138	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_138	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_138	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_138	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_138	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_138	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_138	CN(CCO)C	C108010
MACCS_138	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_138	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_138	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_138	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_138	OC(CO)CCl	C96242
MACCS_138	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_138	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_138	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_138	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_138	COc1ccc(cc1)O	C150765
MACCS_138	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_138	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_138	OC(=O)c1cccnc1	C59676
MACCS_138	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_138	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_138	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_138	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_138	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_138	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_138	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_138	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_138	O=C(O)/C=C\C(=O)O	C110167
MACCS_138	OC(=O)/C=C/C(=O)O	C110178
MACCS_138	OCCOCCOCCOCCCC	C143226
MACCS_138	CCCCCCCCCCCC(=O)O	C143077
MACCS_138	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_138	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_138	OC(=O)CCCC	C109524
MACCS_138	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_138	c1(O)ccccc1C(=O)N	C65452
MACCS_138	OCCC	C71238
MACCS_138	OC(C)CN	C78966
MACCS_138	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_138	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_138	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_138	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_138	O=Cc1ccccc1O	C90028
MACCS_138	Oc1cccc2ccccc12	C90153
MACCS_138	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_138	ON=C1CCCCC1	C100641
MACCS_138	OCCN1CCNCC1	C103764
MACCS_138	Oc1ccc(Cl)cc1	C106489
MACCS_138	CC(O)CC(C)(C)O	C107415
MACCS_138	C1CCCCC1O	C108930
MACCS_138	C(O)C#CCO	C110656
MACCS_138	CCNCCO	C110736
MACCS_138	CCCCCCO	C111273
MACCS_138	CCCCCCCO	C111706
MACCS_138	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_138	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_138	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_138	Oc1ccc(CC)cc1	C123079
MACCS_138	CCCCCCCCCO	C143088
MACCS_138	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_138	Oc1ccc(CCC)cc1	C645567
MACCS_138	C=CC(=O)OCCO	C818611
MACCS_138	CC/C=C\CCO	C928961
MACCS_138	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_138	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_138	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_138	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_138	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_138	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_138	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_138	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_138	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_138	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_138	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_138	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_138	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_138	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_138	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_138	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_138	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_138	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_138	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_138	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_138	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_138	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_138	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_138	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_138	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_138	c1(c(CC)cccc1)O	C90006
MACCS_138	c1c(O)cccc1CC	C620177
MACCS_138	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_138	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_138	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_138	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_138	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_138	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_138	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_138	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_138	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_138	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_138	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_138	c1cccc(OC)c1O	C90051
MACCS_138	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_138	C(=O)(O)C(C)O	C50215
MACCS_138	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_138	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_138	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_138	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_138	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_138	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_138	C(=O)(O)CCC(=O)O	C110156
MACCS_138	NC(CO)(CO)CO	C77861
MACCS_138	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_138	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_138	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_138	Cc1cc(O)ccc1	C108394
MACCS_138	OP(=O)(O)O	C7664382
MACCS_138	CC(O)COC	C107982
MACCS_138	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_138	ON=CCCC	C110690
MACCS_138	OCCCCO	C110634
MACCS_138	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_138	C(C(=O)C)C(C)(C)O	C123422
MACCS_138	Oc1cc(Cl)ccc1Cl	C583788
MACCS_138	N(C)(C)c1cccc(O)c1	C99070
MACCS_138	OCNC(=O)NCO	C140954
MACCS_138	Cc1c(C)cccc1O	C526750
MACCS_138	Cc1cc(C)cc(O)c1	C108689
MACCS_138	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_138	OCC(C(O)CCC)CC	C94962
MACCS_138	c1c(CO)occ1	C98000
MACCS_138	C(=O)(O)CO	C79141
MACCS_138	C(C)(C)(O)C#N	C75865
MACCS_138	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_138	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_138	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_138	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_138	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_138	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_138	C(=O)(O)C(=O)O	C144627
MACCS_138	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_138	O=C(O)CS	C68111
MACCS_138	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_138	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_138	OCCc1ccccc1	C60128
MACCS_138	O=C(O)c1ccccc1O	C69727
MACCS_138	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_138	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_138	O=C(O)c1ccc(O)cc1	C99967
MACCS_138	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_138	OCCOCCOCCOC	C112356
MACCS_138	OCCOCCOCCOCCO	C112607
MACCS_138	OCC(CO)(CO)CO	C115775
MACCS_138	OC(CCCCCC)C	C123966
MACCS_138	OCC(N)(C)C	C124685
MACCS_138	OCC(C)(C)CO	C126307
MACCS_138	Oc1ccc2ccccc2c1	C135193
MACCS_138	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_138	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_138	OC(C)COc1ccccc1	C770354
MACCS_138	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_138	OCCOCCOCCOCCOCCCC	C1559348
MACCS_138	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_138	OC1CCCCCCCCCCC1	C1724396
MACCS_138	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_138	OCCOCCC	C2807309
MACCS_138	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_138	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_138	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_138	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_138	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_138	CC(CO)O	C25322694
MACCS_138	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_138	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_138	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_138	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_138	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_138	OC(CCCC(C)C)(C)CC	C78693
MACCS_138	OCC1OCCC1	C97994
MACCS_138	O=C(c1ccc(O)cc1)C	C99934
MACCS_138	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_138	OC(C)COCCC	C1569013
MACCS_138	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_138	OCC(CCC)CCCCC	C10042598
MACCS_138	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_138	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_138	OC1CC(CCC1C(C)C)C	C1490046
MACCS_138	OCCC(C)CC(C)(C)C	C3452979
MACCS_138	OC(OCCCC)CC	C29387868
MACCS_138	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_138	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_138	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_138	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_138	OCn1nc(C)cc1C	C85264331
MACCS_138	OCCSCCCCCCCC	C3547339
MACCS_138	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_138	OC1CCCC1	C96413
MACCS_138	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_138	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_138	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_138	O=S(=O)(N)O	C5329146
MACCS_138	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_138	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_138	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_138	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_138	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_138	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_138	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_138	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_138	OC(CCCCC)C=C	C3391864
MACCS_138	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_138	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_138	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_138	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_138	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_138	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_138	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_138	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_138	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_138	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_138	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_138	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_138	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_138	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_138	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_138	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_138	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_138	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_138	O=C(c1ccccc1O)C	C118934
MACCS_138	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_138	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_138	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_138	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_138	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_138	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_138	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_138	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_138	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_138	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_138	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_138	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_138	CC(O)COCC	C1569024
MACCS_138	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_138	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_138	Oc1ccccc1CN(C)C	C120650
MACCS_138	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_138	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_138	OC(CCCC(C)C)(C)C	C13254347
MACCS_138	OC(CC(C)C)(C)C#C	C107540
MACCS_138	OCC=Cc1ccccc1	C104541
MACCS_138	O=c1ccoc(CC)c1O	C4940118
MACCS_138	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_138	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_138	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_138	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_138	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_138	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_138	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_138	N#Cc1c(O)cccc1	C611201
MACCS_138	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_138	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_138	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_138	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_138	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_138	OC1CC(C)(C)CC(C)C1	C116029
MACCS_138	OP(OCC)OCC	C762049
MACCS_138	OCCOCC(CC)CCCC	C1559359
MACCS_138	OCCN(CC)CCO	C139877
MACCS_138	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_138	O=C(CF)O	C144490
MACCS_138	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_138	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_138	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_138	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_138	Oc1cc(C(C)C)ccc1C	C499752
MACCS_138	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_138	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_138	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_138	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_138	OC(C)C(=O)OCCCC	C138227
MACCS_138	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_138	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_138	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_138	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_138	Oc1c(OCC)cccc1	C94713
MACCS_138	Oc1ccc(C(C)C)cc1	C99898
MACCS_138	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_138	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_138	OC(CO)c1ccccc1	C93561
MACCS_138	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_138	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_138	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_138	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_138	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_138	Oc1c(C(C)C)cccc1	C88697
MACCS_138	Oc1cc(C(C)C)ccc1	C618451
MACCS_138	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_138	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_138	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_138	OCC(CCCC)CCCCCC	C3913028
MACCS_138	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_138	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_138	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_138	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_138	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_138	Oc1ccc(CCCC)cc1	C1638228
MACCS_138	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_138	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_138	OCCOCC(C)OCCO	C9003116
MACCS_138	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_138	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_138	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_138	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_138	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_138	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_138	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_138	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_138	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_138	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_138	OC1CCC(CCCC)CC1	C70568604
MACCS_138	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_138	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_138	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_138	OB(O)O	C10043353
MACCS_138	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_138	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_138	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_138	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_138	C[As](=O)(C)O	C75605
MACCS_138	Oc1c(cccc1)c1ccccc1	C90437
MACCS_138	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_138	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_138	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_138	c1ccccc1OCCO	C122996
MACCS_138	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_138	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_138	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_138	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_138	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_138	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_138	ClCCP(=O)(O)O	C16672870
MACCS_138	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_138	OCCOC	C109864
MACCS_138	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_138	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_138	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_138	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_138	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_138	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_138	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_138	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_138	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_138	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_138	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_138	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_138	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_138	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_138	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_138	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_138	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_138	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_138	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_138	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_138	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_138	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_138	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_138	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_138	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_138	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_138	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_138	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_138	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_138	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_138	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_138	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_138	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_138	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_138	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_138	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_138	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_138	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_138	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_138	OC(=O)c1ccccc1	C65850
MACCS_138	OCc1ccccc1	C100516
MACCS_138	OCC(CO)(CBr)CBr	C3296900
MACCS_138	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_138	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_138	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_138	Oc1c(cccc1)O	C120809
MACCS_138	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_138	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_138	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_138	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_138	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_138	OC(=O)C(Cl)Cl	C79436
MACCS_138	Clc1c(ccc(c1)Cl)O	C120832
MACCS_138	OCCOCCO	C111466
MACCS_138	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_138	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_138	C(CO)O	C107211
MACCS_138	CCC(CCCC)CO	C104767
MACCS_138	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_138	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_138	OCC(O)CO	C56815
MACCS_138	OCC1CO1	C556525
MACCS_138	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_138	Oc1ccc(cc1)O	C123319
MACCS_138	Oc1cccc2cccnc12	C148243
MACCS_138	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_138	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_138	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_138	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_138	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_138	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_138	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_138	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_138	Oc1ccccc1	C108952
MACCS_138	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_138	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_138	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_138	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_138	CC(CO)O	C57556
MACCS_138	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_138	Oc1cc(ccc1)O	C108463
MACCS_138	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_138	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_138	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_138	OC(=O)C=CC=CC	C110441
MACCS_138	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_138	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_138	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_138	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_138	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_138	OCCN(CCO)CCO	C102716
MACCS_138	OCCOCCOCCO	C112276
MACCS_138	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_138	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_138	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_138	OC(=O)CCC	C107926
MACCS_138	CCCCOCCOCCO	C112345
MACCS_138	Oc1ccccc1Cl	C95578
MACCS_138	CCCCCCCCCC(=O)O	C334485
MACCS_138	CC(Cl)(Cl)C(=O)O	C75990
MACCS_138	O=C(O)CCCCCC	C111148
MACCS_138	OC(=O)CCCCC(=O)O	C124049
MACCS_138	CCCCCC(=O)O	C142621
MACCS_138	CCCCCCCCC(=O)O	C112050
MACCS_138	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_138	CCCCCCCC(=O)O	C124072
MACCS_138	Oc1cc(C)c(Cl)cc1	C59507
MACCS_138	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_138	Oc1c(C)cccc1	C95487
MACCS_138	CCC(=NO)C	C96297
MACCS_138	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_138	CCN(CCO)CC	C100378
MACCS_138	Oc1c(C)cc(C)cc1	C105679
MACCS_138	Oc1ccc(C)cc1	C106445
MACCS_138	ClCCO	C107073
MACCS_138	OCCNCCO	C111422
MACCS_138	CCCCCCCCO	C111875
MACCS_138	CCOCCOCCO	C111900
MACCS_138	CCCCCCCCCCO	C112301
MACCS_138	CCCCCCCCCCCCCO	C112709
MACCS_138	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_138	OCCN	C141435
MACCS_138	Oc1c(C)cc(C)cc1C	C527606
MACCS_138	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_138	Oc1c(C)c(C)ccc1C	C2416946
MACCS_138	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_138	c1(c(O)cccc1)C(CC)C	C89725
MACCS_138	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_138	Oc1ccc(C=CC)cc1OC	C97541
MACCS_138	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_138	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_138	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_138	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_138	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_138	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_138	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_138	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_138	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_138	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_138	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_138	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_138	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_138	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_138	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_138	C(=O)(O)C(CCC)CCC	C99661
MACCS_138	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_138	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_138	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_138	Oc1cc(C)c(C)cc1	C95658
MACCS_138	Oc1c(cccc1C)C	C576261
MACCS_138	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_138	CCOCCO	C110805
MACCS_138	CCCCOCCO	C111762
MACCS_138	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_138	OCCOCCOCCOCC	C112505
MACCS_138	ON=CC(C)(C)SC	C1646759
MACCS_138	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_138	O=C(O)c1ccc(N)cc1	C150130
MACCS_138	Oc1c(ccc(N)c1)C	C2835952
MACCS_138	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_138	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_138	O(O)C(c1ccccc1)(C)C	C80159
MACCS_138	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_138	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_138	OC(CCl)CCl	C96231
MACCS_138	O(CCOC)CCO	C111773
MACCS_138	Oc1c(ccc(C)c1)C	C95874
MACCS_138	O=C(O)C(CCCC)CC	C149575
MACCS_138	C(=O)(N)NO	C127071
MACCS_138	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_138	o1c(C)c(O)c(=O)cc1	C118718
MACCS_138	O=C(OC)c1c(O)cccc1	C119368
MACCS_138	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_138	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_138	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_138	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_138	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_138	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_138	OCCC(C)CCC=C(C)C	C106229
MACCS_138	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_138	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_138	OCCC(O)C	C107880
MACCS_138	OC(CC(C)C)C	C108112
MACCS_138	OCCOCCCCCC	C112254
MACCS_138	OCCCCCCCCCCC	C112425
MACCS_138	OCCCCCCCCCCCC	C112538
MACCS_138	OCCCCCCCCCCCCCC	C112721
MACCS_138	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_138	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_138	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_138	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_138	OCCCCCCCCCCCCCCC	C629765
MACCS_138	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_138	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_138	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_138	O=C(O)C(O)CC(=O)O	C6915157
MACCS_138	OC(OC(O)CC)CC	C25265718
MACCS_138	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_138	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_138	OC(OCCCOC)CC	C34590948
MACCS_138	OCCCCCCCCCCCCCCCC	C36653824
MACCS_138	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_138	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_138	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_138	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_138	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_138	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_138	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_138	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_138	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_138	Oc1cc(C)ccc1C(C)C	C89838
MACCS_138	O=C(O)CCCCCCCCC=C	C112389
MACCS_138	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_138	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_138	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_138	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_138	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_138	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_138	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_138	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_138	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_138	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_138	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_138	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_138	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_138	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_138	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_138	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_138	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_138	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_138	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_138	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_138	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_138	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_138	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_138	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_138	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_138	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_138	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_138	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_138	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_138	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_138	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_138	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_138	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_138	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_138	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_138	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_138	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_138	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_138	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_138	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_138	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_138	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_138	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_138	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_138	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_138	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_138	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_138	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_138	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_138	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_138	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_138	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_138	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_138	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_138	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_138	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_138	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_138	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_138	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_138	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_138	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_138	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_138	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_138	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_138	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_138	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_138	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_138	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_138	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_138	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_138	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_138	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_138	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_138	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_138	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_138	OC(C(CC)CCCC)C#C	C5877429
MACCS_138	OCCCBr	C627189
MACCS_138	C(=O)(C)O	C64197
MACCS_138	C(CO)C(C)C	C123513
MACCS_138	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_138	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_138	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_138	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_138	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_138	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_138	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_138	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_138	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_138	OCCC(OC)C	C2517433
MACCS_138	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_138	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_138	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_138	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_138	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_138	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_138	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_138	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_138	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_138	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_138	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_138	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_138	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_138	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_138	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_138	CC(c1ccc(CO)cc1)C	C536607
MACCS_138	CC(=O)C(=O)O	C127173
MACCS_138	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_138	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_138	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_138	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_138	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_138	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_138	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_138	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_138	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_138	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_138	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_138	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_138	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_138	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_138	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_138	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_138	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_138	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_138	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_138	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_138	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_138	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_138	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_138	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_138	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_138	OCC=C(C)C	C556821
MACCS_138	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_138	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_138	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_138	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_138	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_138	OCc1c[nH]c2c1cccc2	C700061
MACCS_138	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_138	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_138	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_138	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_138	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_138	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_138	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_138	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_138	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_138	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_138	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_138	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_138	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_138	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_138	O=P(OCCCC)(O)OCCCC	C107664
MACCS_138	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_138	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_138	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_138	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_138	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_138	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_138	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_138	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_138	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_138	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_138	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_138	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_138	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_138	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_138	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_138	O=C(O)CCSCCC(=O)O	C111171
MACCS_138	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_138	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_138	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_138	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_138	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_138	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_138	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_138	O=C(OC)CCCC(=O)O	C1501275
MACCS_138	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_138	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_138	O=C(OCCCCO)C=C	C2478106
MACCS_138	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_138	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_138	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_138	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_138	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_138	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_138	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_138	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_138	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_138	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_138	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_138	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_138	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_138	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_138	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_138	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_138	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_138	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_138	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_138	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_138	Cl[In](Cl)Cl.O.O	C143983919
MACCS_138	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_138	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_138	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_138	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_138	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_139	CC(=O)N	C60355
MACCS_139	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_139	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_139	C=CCO	C107186
MACCS_139	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_139	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_139	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_139	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_139	CC(=O)OCc1ccccc1	C140114
MACCS_139	CC(CNCC(C)O)O	C110974
MACCS_139	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_139	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_139	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_139	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_139	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_139	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_139	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_139	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_139	O=CCCl	C107200
MACCS_139	ClCOC	C107302
MACCS_139	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_139	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_139	O=C1CCCCC1	C108941
MACCS_139	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_139	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_139	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_139	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_139	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_139	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_139	CN(C)C(=O)C	C127195
MACCS_139	CN(CCO)C	C108010
MACCS_139	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_139	C=CCc1ccc(cc1)OC	C140670
MACCS_139	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_139	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_139	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_139	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_139	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_139	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_139	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_139	OC(CO)CCl	C96242
MACCS_139	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_139	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_139	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_139	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_139	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_139	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_139	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_139	COc1ccc(cc1)O	C150765
MACCS_139	NC(=O)OC	C598550
MACCS_139	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_139	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_139	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_139	NC(=O)c1cccnc1	C98920
MACCS_139	OC(=O)c1cccnc1	C59676
MACCS_139	O=[N+](CC)[O-]	C79243
MACCS_139	CN(C(=O)N)N=O	C684935
MACCS_139	CN(N=O)C	C62759
MACCS_139	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_139	O=NN1CCCC1	C930552
MACCS_139	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_139	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_139	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_139	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_139	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_139	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_139	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_139	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_139	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_139	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_139	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_139	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_139	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_139	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_139	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_139	O=P(OC)(OC)OC	C512561
MACCS_139	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_139	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_139	O=CCc1ccccc1	C122781
MACCS_139	O=C(O)/C=C\C(=O)O	C110167
MACCS_139	OC(=O)/C=C/C(=O)O	C110178
MACCS_139	OCCOCCOCCOCCCC	C143226
MACCS_139	CCCCCCCCCC=O	C112312
MACCS_139	CCCCCCCCCCCC(=O)O	C143077
MACCS_139	O=CCCCCCC	C111717
MACCS_139	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_139	CCCCCCCCC=O	C124196
MACCS_139	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_139	OC(=O)CCCC	C109524
MACCS_139	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_139	c1(O)ccccc1C(=O)N	C65452
MACCS_139	CS(=O)C	C67685
MACCS_139	OCCC	C71238
MACCS_139	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_139	OC(C)CN	C78966
MACCS_139	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_139	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_139	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_139	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_139	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_139	O=Cc1ccccc1O	C90028
MACCS_139	Oc1cccc2ccccc12	C90153
MACCS_139	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_139	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_139	ON=C1CCCCC1	C100641
MACCS_139	c1ccccc1Oc1ccccc1	C101848
MACCS_139	OCCN1CCNCC1	C103764
MACCS_139	CCOC(=O)CC(=O)OCC	C105533
MACCS_139	Oc1ccc(Cl)cc1	C106489
MACCS_139	CC(O)CC(C)(C)O	C107415
MACCS_139	CCCC(=O)C	C107879
MACCS_139	C1CCCCC1O	C108930
MACCS_139	CCCCCC(=O)C	C110430
MACCS_139	C(O)C#CCO	C110656
MACCS_139	CCNCCO	C110736
MACCS_139	CCCCCCO	C111273
MACCS_139	CCCCCCCO	C111706
MACCS_139	CCCCCCCCCC(=O)C	C112129
MACCS_139	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_139	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_139	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_139	Oc1ccc(CC)cc1	C123079
MACCS_139	CCCCCC(=O)OCC	C123660
MACCS_139	CCCCCCCCCO	C143088
MACCS_139	COc1ccc(OC)cc1	C150787
MACCS_139	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_139	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_139	O=C(OC(C)(C)C)C	C540885
MACCS_139	Oc1ccc(CCC)cc1	C645567
MACCS_139	CCCCCCC1OC(=O)CC1	C706149
MACCS_139	C=CC(=O)OCCO	C818611
MACCS_139	CC/C=C\CCO	C928961
MACCS_139	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_139	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_139	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_139	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_139	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_139	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_139	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_139	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_139	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_139	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_139	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_139	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_139	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_139	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_139	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_139	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_139	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_139	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_139	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_139	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_139	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_139	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_139	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_139	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_139	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_139	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_139	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_139	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_139	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_139	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_139	c1(c(CC)cccc1)O	C90006
MACCS_139	c1c(O)cccc1CC	C620177
MACCS_139	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_139	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_139	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_139	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_139	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_139	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_139	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_139	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_139	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_139	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_139	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_139	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_139	c1cccc(OC)c1O	C90051
MACCS_139	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_139	C(=O)(O)C(C)O	C50215
MACCS_139	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_139	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_139	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_139	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_139	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_139	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_139	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_139	C(=O)(O)CCC(=O)O	C110156
MACCS_139	NC(CO)(CO)CO	C77861
MACCS_139	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_139	C[Si](=O)C	C9016006
MACCS_139	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_139	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_139	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_139	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_139	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_139	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_139	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_139	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_139	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_139	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_139	Cc1cc(O)ccc1	C108394
MACCS_139	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_139	OP(=O)(O)O	C7664382
MACCS_139	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_139	CC(O)COC	C107982
MACCS_139	[Na+].[O-]C(=O)CF	C62748
MACCS_139	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_139	O=C(N)N=NC(=O)N	C123773
MACCS_139	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_139	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_139	ON=CCCC	C110690
MACCS_139	OCCCCO	C110634
MACCS_139	O=C(OCCCC)C=C	C141322
MACCS_139	C(OCCCC)C1CO1	C2426086
MACCS_139	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_139	O=C/C=C/c1ccccc1	C14371109
MACCS_139	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_139	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_139	C(C(=O)C)C(C)(C)O	C123422
MACCS_139	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_139	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_139	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_139	Oc1cc(Cl)ccc1Cl	C583788
MACCS_139	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_139	O=C(CC(C)C)CC(C)C	C108838
MACCS_139	N(C)(C)c1cccc(O)c1	C99070
MACCS_139	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_139	OCNC(=O)NCO	C140954
MACCS_139	Cc1c(C)cccc1O	C526750
MACCS_139	Cc1cc(C)cc(O)c1	C108689
MACCS_139	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_139	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_139	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_139	O=C(OCC)c1c(N)cccc1	C87252
MACCS_139	C(CC)(C=O)CCCC	C123057
MACCS_139	OCC(C(O)CCC)CC	C94962
MACCS_139	CCC(=CCCC)C=O	C645625
MACCS_139	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_139	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_139	c1c(CO)occ1	C98000
MACCS_139	O=CCCCC=O	C111308
MACCS_139	C(=O)(O)CO	C79141
MACCS_139	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_139	C(C)(C)(O)C#N	C75865
MACCS_139	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_139	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_139	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_139	O(C(C)C)C(=O)C	C108214
MACCS_139	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_139	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_139	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_139	O=C(C)C=Cc1ccccc1	C122576
MACCS_139	C1COCCN1	C110918
MACCS_139	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_139	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_139	C(=O)(O)C(=O)O	C144627
MACCS_139	O(c1ccc(N)cc1)CC	C156434
MACCS_139	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_139	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_139	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_139	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_139	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_139	O=C(O)CS	C68111
MACCS_139	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_139	O=P(OCC)(OCC)OCC	C78400
MACCS_139	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_139	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_139	ClCCOP(OCCCl)OCCCl	C140089
MACCS_139	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_139	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_139	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_139	OCCc1ccccc1	C60128
MACCS_139	O=C(O)c1ccccc1O	C69727
MACCS_139	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_139	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_139	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_139	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_139	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_139	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_139	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_139	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_139	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_139	O=C(O)c1ccc(O)cc1	C99967
MACCS_139	O=C(C)OCC(CC)CCCC	C103093
MACCS_139	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_139	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_139	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_139	O=C1OCC(C)O1	C108327
MACCS_139	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_139	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_139	O=C(OC)CCCCCCCCC	C110429
MACCS_139	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_139	O=C(C)OCCOC(=O)C	C111557
MACCS_139	O=C(C)OCCOCCCC	C112072
MACCS_139	OCCOCCOCCOC	C112356
MACCS_139	OCCOCCOCCOCCO	C112607
MACCS_139	OCC(CO)(CO)CO	C115775
MACCS_139	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_139	O=Cc1ccc(OC)cc1	C123115
MACCS_139	OC(CCCCCC)C	C123966
MACCS_139	OCC(N)(C)C	C124685
MACCS_139	OCC(C)(C)CO	C126307
MACCS_139	Oc1ccc2ccccc2c1	C135193
MACCS_139	[O-]c1ccccc1.[Na+]	C139026
MACCS_139	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_139	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_139	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_139	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_139	O=C1NCCC1	C616455
MACCS_139	O=COC(C)C	C625558
MACCS_139	OC(C)COc1ccccc1	C770354
MACCS_139	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_139	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_139	O=C(N)[O-].[NH4+]	C1111780
MACCS_139	O=C(N(C)C)CCCCCCC	C1118929
MACCS_139	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_139	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_139	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_139	OCCOCCOCCOCCOCCCC	C1559348
MACCS_139	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_139	OC1CCCCCCCCCCC1	C1724396
MACCS_139	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_139	O=C(N(C)C)CC(=O)C	C2044646
MACCS_139	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_139	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_139	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_139	OCCOCCC	C2807309
MACCS_139	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_139	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_139	O=C(CCl)[O-].[Na+]	C3926623
MACCS_139	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_139	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_139	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_139	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_139	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_139	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_139	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_139	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_139	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_139	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_139	CC(CO)O	C25322694
MACCS_139	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_139	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_139	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_139	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_139	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_139	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_139	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_139	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_139	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_139	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_139	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_139	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_139	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_139	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_139	OC(CCCC(C)C)(C)CC	C78693
MACCS_139	OCC1OCCC1	C97994
MACCS_139	O=C(c1ccc(O)cc1)C	C99934
MACCS_139	CN1CCOCC1	C109024
MACCS_139	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_139	O=C1CCCC1	C120923
MACCS_139	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_139	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_139	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_139	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_139	O=C(C=C(C)C)C	C141797
MACCS_139	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_139	OC(C)COCCC	C1569013
MACCS_139	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_139	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_139	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_139	OCC(CCC)CCCCC	C10042598
MACCS_139	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_139	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_139	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_139	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_139	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_139	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_139	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_139	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_139	OC1CC(CCC1C(C)C)C	C1490046
MACCS_139	OCCC(C)CC(C)(C)C	C3452979
MACCS_139	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_139	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_139	OC(OCCCC)CC	C29387868
MACCS_139	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_139	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_139	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_139	O=C1NC2NC(=O)NC2N1	C496468
MACCS_139	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_139	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_139	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_139	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_139	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_139	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_139	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_139	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_139	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_139	OCn1nc(C)cc1C	C85264331
MACCS_139	OCCSCCCCCCCC	C3547339
MACCS_139	Clc1c(Cl)ssc1=O	C1192525
MACCS_139	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_139	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_139	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_139	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_139	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_139	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_139	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_139	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_139	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_139	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_139	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_139	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_139	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_139	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_139	OC1CCCC1	C96413
MACCS_139	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_139	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_139	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_139	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_139	O=S(=O)(N)O	C5329146
MACCS_139	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_139	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_139	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_139	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_139	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_139	O=C1OC(CCCCC)CC1	C104610
MACCS_139	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_139	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_139	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_139	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_139	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_139	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_139	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_139	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_139	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_139	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_139	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_139	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_139	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_139	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_139	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_139	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_139	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_139	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_139	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_139	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_139	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_139	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_139	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_139	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_139	OC(CCCCC)C=C	C3391864
MACCS_139	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_139	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_139	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_139	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_139	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_139	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_139	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_139	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_139	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_139	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_139	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_139	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_139	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_139	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_139	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_139	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_139	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_139	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_139	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_139	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_139	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_139	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_139	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_139	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_139	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_139	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_139	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_139	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_139	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_139	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_139	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_139	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_139	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_139	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_139	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_139	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_139	O=C(CC)OCC	C105373
MACCS_139	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_139	O=C(c1ccccc1O)C	C118934
MACCS_139	O=C1OCC(CC)O1	C4437858
MACCS_139	O=C(CBr)OCc1ccccc1	C5437456
MACCS_139	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_139	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_139	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_139	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_139	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_139	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_139	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_139	O=C(OCC)c1c(C)cccc1	C87241
MACCS_139	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_139	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_139	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_139	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_139	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_139	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_139	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_139	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_139	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_139	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_139	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_139	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_139	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_139	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_139	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_139	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_139	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_139	CC(O)COCC	C1569024
MACCS_139	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_139	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_139	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_139	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_139	Oc1ccccc1CN(C)C	C120650
MACCS_139	O=C1CCC(O1)CC	C695067
MACCS_139	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_139	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_139	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_139	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_139	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_139	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_139	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_139	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_139	O=C(Nc1ccccc1)CCl	C587655
MACCS_139	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_139	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_139	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_139	OC(CCCC(C)C)(C)C	C13254347
MACCS_139	O=C/C=C/CCC	C6728263
MACCS_139	O1C=CCCC1	C110872
MACCS_139	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_139	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_139	OC(CC(C)C)(C)C#C	C107540
MACCS_139	O=C(C)OCC/C=C\CC	C3681718
MACCS_139	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_139	OCC=Cc1ccccc1	C104541
MACCS_139	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_139	O=CCC/C=C\CCCCC	C21662099
MACCS_139	O=c1ccoc(CC)c1O	C4940118
MACCS_139	NCCCN1CCOCC1	C123002
MACCS_139	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_139	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_139	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_139	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_139	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_139	O=C(CCC)OCCCCC	C540181
MACCS_139	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_139	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_139	O=C(C)OC(C)c1ccccc1	C93925
MACCS_139	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_139	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_139	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_139	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_139	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_139	N#Cc1c(O)cccc1	C611201
MACCS_139	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_139	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_139	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_139	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_139	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_139	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_139	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_139	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_139	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_139	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_139	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_139	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_139	OC1CC(C)(C)CC(C)C1	C116029
MACCS_139	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_139	OP(OCC)OCC	C762049
MACCS_139	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_139	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_139	OCCOCC(CC)CCCC	C1559359
MACCS_139	O=C(CC)CCCCC	C106683
MACCS_139	OCCN(CC)CCO	C139877
MACCS_139	CCOC(OCC)OCC	C122510
MACCS_139	CCO[Si](OCC)(OCC)CC	C78079
MACCS_139	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_139	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_139	O=C(CF)O	C144490
MACCS_139	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_139	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_139	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_139	O=C(CCC)OCCCCCCC	C5870939
MACCS_139	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_139	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_139	Oc1cc(C(C)C)ccc1C	C499752
MACCS_139	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_139	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_139	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_139	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_139	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_139	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_139	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_139	OC(C)C(=O)OCCCC	C138227
MACCS_139	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_139	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_139	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_139	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_139	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_139	Oc1c(OCC)cccc1	C94713
MACCS_139	Oc1ccc(C(C)C)cc1	C99898
MACCS_139	COc1ccc(CCC)cc1	C104450
MACCS_139	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_139	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_139	CO[Si](C)(C)OC	C1112396
MACCS_139	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_139	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_139	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_139	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_139	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_139	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_139	OC(CO)c1ccccc1	C93561
MACCS_139	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_139	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_139	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_139	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_139	CCO[Si](OCC)(C)OCC	C2031676
MACCS_139	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_139	CO[Si](OC)(CCC)OC	C1067250
MACCS_139	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_139	O=C(N)Nc1ccccc1	C64108
MACCS_139	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_139	O=C(C)OCCCCCCCC	C112141
MACCS_139	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_139	Oc1c(C(C)C)cccc1	C88697
MACCS_139	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_139	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_139	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_139	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_139	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_139	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_139	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_139	Oc1cc(C(C)C)ccc1	C618451
MACCS_139	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_139	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_139	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_139	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_139	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_139	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_139	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_139	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_139	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_139	OCC(CCCC)CCCCCC	C3913028
MACCS_139	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_139	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_139	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_139	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_139	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_139	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_139	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_139	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_139	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_139	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_139	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_139	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_139	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_139	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_139	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_139	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_139	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_139	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_139	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_139	Oc1ccc(CCCC)cc1	C1638228
MACCS_139	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_139	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_139	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_139	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_139	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_139	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_139	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_139	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_139	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_139	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_139	OCCOCC(C)OCCO	C9003116
MACCS_139	O=C1OC(CCC)CC1	C105215
MACCS_139	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_139	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_139	C=O	C50000
MACCS_139	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_139	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_139	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_139	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_139	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_139	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_139	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_139	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_139	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_139	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_139	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_139	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_139	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_139	O=C1CCC(CCC)CC1	C40649363
MACCS_139	Nc1ccc(cc1)OCCCC	C4344552
MACCS_139	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_139	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_139	O=C(c1ccccc1)C(C)C	C611701
MACCS_139	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_139	OC1CCC(CCCC)CC1	C70568604
MACCS_139	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_139	O=C(OC)c1c(C)cccc1	C89714
MACCS_139	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_139	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_139	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_139	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_139	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_139	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_139	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_139	OB(O)O	C10043353
MACCS_139	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_139	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_139	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_139	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_139	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_139	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_139	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_139	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_139	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_139	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_139	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_139	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_139	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_139	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_139	C[As](=O)(C)O	C75605
MACCS_139	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_139	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_139	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_139	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_139	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_139	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_139	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_139	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_139	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_139	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_139	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_139	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_139	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_139	Oc1c(cccc1)c1ccccc1	C90437
MACCS_139	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_139	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_139	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_139	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_139	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_139	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_139	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_139	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_139	c1ccccc1OCCO	C122996
MACCS_139	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_139	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_139	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_139	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_139	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_139	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_139	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_139	CSC(=NOC(=O)NC)C	C16752775
MACCS_139	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_139	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_139	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_139	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_139	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_139	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_139	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_139	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_139	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_139	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_139	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_139	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_139	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_139	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_139	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_139	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_139	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_139	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_139	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_139	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_139	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_139	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_139	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_139	ClCCP(=O)(O)O	C16672870
MACCS_139	CCCN(CCC)C(=O)SCC	C759944
MACCS_139	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_139	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_139	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_139	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_139	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_139	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_139	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_139	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_139	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_139	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_139	NP(=O)(OC)SC	C10265926
MACCS_139	OCCOC	C109864
MACCS_139	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_139	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_139	O=C(SCC)N1CCCCCC1	C2212671
MACCS_139	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_139	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_139	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_139	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_139	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_139	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_139	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_139	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_139	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_139	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_139	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_139	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_139	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_139	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_139	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_139	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_139	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_139	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_139	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_139	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_139	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_139	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_139	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_139	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_139	O=C(NCCCC)OCC#CI	C55406536
MACCS_139	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_139	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_139	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_139	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_139	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_139	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_139	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_139	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_139	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_139	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_139	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_139	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_139	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_139	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_139	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_139	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_139	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_139	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_139	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_139	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_139	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_139	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_139	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_139	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_139	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_139	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_139	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_139	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_139	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_139	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_139	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_139	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_139	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_139	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_139	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_139	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_139	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_139	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_139	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_139	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_139	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_139	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_139	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_139	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_139	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_139	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_139	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_139	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_139	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_139	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_139	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_139	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_139	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_139	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_139	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_139	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_139	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_139	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_139	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_139	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_139	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_139	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_139	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_139	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_139	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_139	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_139	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_139	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_139	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_139	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_139	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_139	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_139	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_139	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_139	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_139	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_139	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_139	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_139	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_139	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_139	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_139	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_139	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_139	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_139	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_139	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_139	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_139	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_139	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_139	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_139	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_139	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_139	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_139	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_139	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_139	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_139	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_139	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_139	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_139	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_139	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_139	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_139	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_139	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_139	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_139	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_139	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_139	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_139	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_139	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_139	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_139	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_139	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_139	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_139	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_139	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_139	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_139	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_139	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_139	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_139	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_139	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_139	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_139	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_139	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_139	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_139	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_139	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_139	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_139	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_139	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_139	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_139	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_139	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_139	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_139	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_139	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_139	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_139	NC(=O)C=C	C79061
MACCS_139	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_139	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_139	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_139	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_139	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_139	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_139	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_139	c1coc2c1cccc2	C271896
MACCS_139	OC(=O)c1ccccc1	C65850
MACCS_139	OCc1ccccc1	C100516
MACCS_139	OCC(CO)(CBr)CBr	C3296900
MACCS_139	ClCCOCCCl	C111444
MACCS_139	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_139	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_139	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_139	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_139	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_139	O=C1CCCO1	C96480
MACCS_139	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_139	O=C1CCCCCN1	C105602
MACCS_139	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_139	Oc1c(cccc1)O	C120809
MACCS_139	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_139	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_139	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_139	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_139	O=C(c1ccccc1)CCl	C532274
MACCS_139	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_139	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_139	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_139	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_139	O=c1oc2c(cccc2)cc1	C91645
MACCS_139	Nc1cc(ccc1OC)C	C120718
MACCS_139	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_139	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_139	OC(=O)C(Cl)Cl	C79436
MACCS_139	Clc1c(ccc(c1)Cl)O	C120832
MACCS_139	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_139	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_139	OCCOCCO	C111466
MACCS_139	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_139	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_139	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_139	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_139	O=C(N(C)C)Cl	C79447
MACCS_139	CN(C=O)C	C68122
MACCS_139	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_139	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_139	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_139	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_139	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_139	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_139	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_139	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_139	C(CO)O	C107211
MACCS_139	O1C2C1CCC(C2)C1CO1	C106876
MACCS_139	CCC(CCCC)CO	C104767
MACCS_139	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_139	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_139	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_139	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_139	O=Cc1ccco1	C98011
MACCS_139	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_139	OCC(O)CO	C56815
MACCS_139	OCC1CO1	C556525
MACCS_139	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_139	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_139	Oc1ccc(cc1)O	C123319
MACCS_139	Oc1cccc2cccnc12	C148243
MACCS_139	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_139	O=C(c1ccncc1)NN	C54853
MACCS_139	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_139	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_139	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_139	CS(=O)(=O)OC	C66273
MACCS_139	O=C1N(CCC1)C	C872504
MACCS_139	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_139	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_139	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_139	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_139	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_139	O=N[O-].[Na+]	C7632000
MACCS_139	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_139	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_139	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_139	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_139	O=[N+](c1ccccc1)[O-]	C98953
MACCS_139	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_139	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_139	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_139	O=NN(CCCC)CCCC	C924163
MACCS_139	CCN(CC)N=O	C55185
MACCS_139	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_139	O=NN(CCC)CCC	C621647
MACCS_139	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_139	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_139	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_139	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_139	Oc1ccccc1	C108952
MACCS_139	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_139	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_139	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_139	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_139	O=S1(=O)CCCO1	C1120714
MACCS_139	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_139	CC(CO)O	C57556
MACCS_139	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_139	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_139	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_139	Oc1cc(ccc1)O	C108463
MACCS_139	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_139	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_139	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_139	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_139	OC(=O)C=CC=CC	C110441
MACCS_139	C1C(c2ccccc2)O1	C96093
MACCS_139	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_139	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_139	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_139	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_139	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_139	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_139	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_139	OCCN(CCO)CCO	C102716
MACCS_139	OCCOCCOCCO	C112276
MACCS_139	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_139	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_139	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_139	C(=O)(N)N	C57136
MACCS_139	NC(=O)OCC	C51796
MACCS_139	O=C1N(C=C)CCC1	C88120
MACCS_139	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_139	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_139	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_139	OC(=O)CCC	C107926
MACCS_139	CCCCOCCOCCO	C112345
MACCS_139	Oc1ccccc1Cl	C95578
MACCS_139	CCCCCCCCCC(=O)O	C334485
MACCS_139	CC(Cl)(Cl)C(=O)O	C75990
MACCS_139	O=C(O)CCCCCC	C111148
MACCS_139	OC(=O)CCCCC(=O)O	C124049
MACCS_139	CCCCCC(=O)O	C142621
MACCS_139	CCCCCCCCC(=O)O	C112050
MACCS_139	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_139	CCCCCCCC=O	C124130
MACCS_139	CCCCCCCC(=O)O	C124072
MACCS_139	CCCCC=O	C110623
MACCS_139	Oc1cc(C)c(Cl)cc1	C59507
MACCS_139	CC1(C)NC(=O)NC1=O	C77714
MACCS_139	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_139	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_139	Oc1c(C)cccc1	C95487
MACCS_139	CCC(=NO)C	C96297
MACCS_139	c1ccccc1C(=O)C	C98862
MACCS_139	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_139	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_139	CCN(CCO)CC	C100378
MACCS_139	Oc1c(C)cc(C)cc1	C105679
MACCS_139	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_139	Oc1ccc(C)cc1	C106445
MACCS_139	ClCCO	C107073
MACCS_139	CC(=O)OCCOCC	C111159
MACCS_139	OCCNCCO	C111422
MACCS_139	CCCCCCCCO	C111875
MACCS_139	CCOCCOCCO	C111900
MACCS_139	CCCCCCCCCCO	C112301
MACCS_139	CCCCCCCCCCCCCO	C112709
MACCS_139	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_139	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_139	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_139	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_139	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_139	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_139	c1cccc2c3ccccc3oc12	C132649
MACCS_139	OCCN	C141435
MACCS_139	Oc1c(C)cc(C)cc1C	C527606
MACCS_139	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_139	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_139	Oc1c(C)c(C)ccc1C	C2416946
MACCS_139	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_139	c1(c(O)cccc1)C(CC)C	C89725
MACCS_139	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_139	Oc1ccc(C=CC)cc1OC	C97541
MACCS_139	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_139	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_139	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_139	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_139	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_139	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_139	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_139	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_139	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_139	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_139	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_139	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_139	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_139	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_139	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_139	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_139	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_139	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_139	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_139	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_139	C(=O)(O)C(CCC)CCC	C99661
MACCS_139	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_139	O=N(=O)c1ccc(C)cc1	C99990
MACCS_139	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_139	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_139	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_139	Nc1c(OC)cccc1	C90040
MACCS_139	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_139	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_139	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_139	O=S(=O)(OCC)OCC	C64675
MACCS_139	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_139	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_139	O=S(=O)(OC)OC	C77781
MACCS_139	Oc1cc(C)c(C)cc1	C95658
MACCS_139	Oc1c(cccc1C)C	C576261
MACCS_139	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_139	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_139	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_139	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_139	CCOCCO	C110805
MACCS_139	CCCCOCCO	C111762
MACCS_139	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_139	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_139	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_139	O=C=NCCCCCCN=C=O	C822060
MACCS_139	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_139	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_139	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_139	OCCOCCOCCOCC	C112505
MACCS_139	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_139	ON=CC(C)(C)SC	C1646759
MACCS_139	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_139	O=C(O)c1ccc(N)cc1	C150130
MACCS_139	Oc1c(ccc(N)c1)C	C2835952
MACCS_139	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_139	O(CCOC)CCOC	C111966
MACCS_139	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_139	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_139	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_139	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_139	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_139	O(O)C(c1ccccc1)(C)C	C80159
MACCS_139	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_139	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_139	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_139	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_139	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_139	OC(CCl)CCl	C96231
MACCS_139	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_139	O(CCOC)CCO	C111773
MACCS_139	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_139	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_139	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_139	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_139	COC(=O)CCCC(=O)OC	C1119400
MACCS_139	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_139	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_139	Oc1c(ccc(C)c1)C	C95874
MACCS_139	C(=O)(OC)CCC(=O)OC	C106650
MACCS_139	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_139	O=C(O)C(CCCC)CC	C149575
MACCS_139	C(=O)(N)NO	C127071
MACCS_139	C(CC(C)C)OC(=O)C	C123922
MACCS_139	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_139	o1c(C)c(O)c(=O)cc1	C118718
MACCS_139	O=C(OC)c1c(N)cccc1	C134203
MACCS_139	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_139	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_139	O=C(OC)c1c(O)cccc1	C119368
MACCS_139	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_139	O=c1ccsn1CCCCCCCC	C26530201
MACCS_139	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_139	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_139	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_139	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_139	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_139	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_139	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_139	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_139	C(OCCOC)COCCOC	C112492
MACCS_139	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_139	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_139	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_139	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_139	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_139	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_139	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_139	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_139	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_139	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_139	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_139	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_139	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_139	OCCC(C)CCC=C(C)C	C106229
MACCS_139	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_139	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_139	OCCC(O)C	C107880
MACCS_139	OC(CC(C)C)C	C108112
MACCS_139	O=C(OC)CCCCCCC	C111115
MACCS_139	O=C(OC)CCCCCCCCCCC	C111820
MACCS_139	OCCOCCCCCC	C112254
MACCS_139	OCCCCCCCCCCC	C112425
MACCS_139	OCCCCCCCCCCCC	C112538
MACCS_139	OCCCCCCCCCCCCCC	C112721
MACCS_139	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_139	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_139	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_139	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_139	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_139	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_139	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_139	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_139	O=C(C)OCCCCC	C628637
MACCS_139	OCCCCCCCCCCCCCCC	C629765
MACCS_139	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_139	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_139	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_139	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_139	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_139	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_139	O=C(O)C(O)CC(=O)O	C6915157
MACCS_139	OC(OC(O)CC)CC	C25265718
MACCS_139	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_139	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_139	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_139	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_139	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_139	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_139	OC(OCCCOC)CC	C34590948
MACCS_139	OCCCCCCCCCCCCCCCC	C36653824
MACCS_139	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_139	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_139	O=C(OC)CC(=O)OC	C108598
MACCS_139	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_139	CCC12N(COC1)COC2	C7747355
MACCS_139	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_139	O=C(N)C(=C)C	C79390
MACCS_139	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_139	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_139	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_139	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_139	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_139	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_139	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_139	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_139	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_139	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_139	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_139	S=P(OCC)(OCC)SCSCC	C298022
MACCS_139	O=Cc1ccccc1C=O	C643798
MACCS_139	O=c1[nH]sc2c1cccc2	C2634335
MACCS_139	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_139	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_139	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_139	O=c1n(C)sc(Cl)c1	C26172554
MACCS_139	O=C1CCC(O1)CCCCCCC	C104676
MACCS_139	Oc1cc(C)ccc1C(C)C	C89838
MACCS_139	O=C(O)CCCCCCCCC=C	C112389
MACCS_139	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_139	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_139	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_139	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_139	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_139	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_139	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_139	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_139	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_139	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_139	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_139	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_139	O=C(OCC)CCC(=O)OCC	C123251
MACCS_139	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_139	O=C(CCC)OCC	C105544
MACCS_139	O=C(OCC)CCCCCC	C106309
MACCS_139	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_139	O=C(OCCCC)c1ccccc1	C136607
MACCS_139	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_139	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_139	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_139	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_139	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_139	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_139	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_139	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_139	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_139	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_139	O=C(CCC)OCCC(C)C	C106274
MACCS_139	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_139	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_139	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_139	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_139	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_139	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_139	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_139	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_139	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_139	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_139	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_139	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_139	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_139	O=C(C)NC	C79163
MACCS_139	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_139	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_139	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_139	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_139	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_139	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_139	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_139	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_139	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_139	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_139	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_139	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_139	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_139	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_139	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_139	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_139	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_139	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_139	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_139	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_139	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_139	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_139	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_139	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_139	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_139	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_139	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_139	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_139	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_139	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_139	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_139	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_139	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_139	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_139	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_139	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_139	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_139	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_139	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_139	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_139	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_139	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_139	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_139	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_139	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_139	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_139	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_139	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_139	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_139	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_139	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_139	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_139	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_139	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_139	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_139	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_139	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_139	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_139	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_139	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_139	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_139	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_139	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_139	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_139	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_139	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_139	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_139	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_139	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_139	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_139	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_139	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_139	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_139	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_139	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_139	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_139	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_139	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_139	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_139	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_139	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_139	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_139	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_139	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_139	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_139	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_139	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_139	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_139	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_139	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_139	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_139	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_139	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_139	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_139	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_139	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_139	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_139	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_139	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_139	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_139	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_139	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_139	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_139	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_139	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_139	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_139	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_139	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_139	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_139	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_139	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_139	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_139	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_139	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_139	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_139	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_139	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_139	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_139	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_139	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_139	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_139	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_139	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_139	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_139	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_139	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_139	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_139	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_139	C(=O)N	C75127
MACCS_139	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_139	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_139	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_139	OC(C(CC)CCCC)C#C	C5877429
MACCS_139	[Na+].[O-][Cl]=O	C7758192
MACCS_139	OCCCBr	C627189
MACCS_139	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_139	C(=O)(C)O	C64197
MACCS_139	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_139	C(CO)C(C)C	C123513
MACCS_139	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_139	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_139	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_139	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_139	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_139	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_139	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_139	NCCOCCOCCN	C929599
MACCS_139	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_139	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_139	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_139	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_139	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_139	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_139	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_139	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_139	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_139	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_139	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_139	O=[Si]=O	C7631869
MACCS_139	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_139	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_139	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_139	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_139	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_139	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_139	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_139	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_139	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_139	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_139	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_139	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_139	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_139	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_139	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_139	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_139	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_139	OCCC(OC)C	C2517433
MACCS_139	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_139	O=CCC(C)CCC=C(C)C	C106230
MACCS_139	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_139	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_139	O=COCC	C109944
MACCS_139	O=C(OCC)c1ccccc1	C93890
MACCS_139	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_139	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_139	O=CCCSC	C3268493
MACCS_139	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_139	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_139	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_139	CC(=O)OCC	C141786
MACCS_139	CC(=O)OCCCC	C123864
MACCS_139	CC(=O)CCC(C)C	C110123
MACCS_139	CC(=O)CC(C)C	C108101
MACCS_139	CC(C)C=O	C78842
MACCS_139	CCCCCC=O	C66251
MACCS_139	CCCC=O	C123728
MACCS_139	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_139	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_139	CCC1CO1	C106887
MACCS_139	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_139	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_139	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_139	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_139	CC1CC(=O)O1	C3068880
MACCS_139	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_139	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_139	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_139	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_139	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_139	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_139	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_139	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_139	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_139	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_139	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_139	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_139	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_139	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_139	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_139	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_139	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_139	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_139	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_139	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_139	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_139	O=C(CCl)CCl	C534076
MACCS_139	CC(c1ccc(CO)cc1)C	C536607
MACCS_139	CC(=O)C(=O)O	C127173
MACCS_139	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_139	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_139	CN(C)c1ccc(C=O)cc1	C100107
MACCS_139	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_139	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_139	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_139	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_139	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_139	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_139	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_139	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_139	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_139	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_139	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_139	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_139	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_139	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_139	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_139	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_139	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_139	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_139	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_139	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_139	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_139	Nc1ccc(OC)cc1	C104949
MACCS_139	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_139	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_139	O=CC=CC=CCCCCC	C25152845
MACCS_139	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_139	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_139	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_139	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_139	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_139	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_139	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_139	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_139	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_139	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_139	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_139	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_139	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_139	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_139	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_139	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_139	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_139	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_139	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_139	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_139	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_139	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_139	OCC=C(C)C	C556821
MACCS_139	ClC(=O)C(CC)CCCC	C760678
MACCS_139	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_139	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_139	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_139	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_139	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_139	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_139	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_139	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_139	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_139	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_139	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_139	OCc1c[nH]c2c1cccc2	C700061
MACCS_139	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_139	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_139	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_139	O=c1cc(C)o[nH]1	C10004441
MACCS_139	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_139	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_139	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_139	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_139	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_139	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_139	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_139	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_139	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_139	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_139	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_139	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_139	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_139	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_139	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_139	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_139	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_139	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_139	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_139	O=CCCCCCCCCC=C	C112458
MACCS_139	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_139	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_139	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_139	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_139	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_139	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_139	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_139	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_139	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_139	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_139	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_139	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_139	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_139	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_139	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_139	O=P(OCCCC)(O)OCCCC	C107664
MACCS_139	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_139	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_139	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_139	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_139	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_139	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_139	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_139	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_139	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_139	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_139	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_139	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_139	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_139	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_139	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_139	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_139	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_139	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_139	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_139	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_139	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_139	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_139	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_139	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_139	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_139	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_139	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_139	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_139	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_139	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_139	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_139	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_139	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_139	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_139	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_139	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_139	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_139	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_139	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_139	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_139	O=[As]c1ccccc1	C637036
MACCS_139	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_139	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_139	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_139	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_139	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_139	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_139	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_139	O=CN1CCCCC1	C2591868
MACCS_139	O=C(O)CCSCCC(=O)O	C111171
MACCS_139	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_139	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_139	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_139	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_139	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_139	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_139	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_139	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_139	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_139	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_139	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_139	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_139	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_139	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_139	O=C(OC)CCCC(=O)O	C1501275
MACCS_139	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_139	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_139	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_139	O=C(OCCCCO)C=C	C2478106
MACCS_139	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_139	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_139	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_139	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_139	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_139	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_139	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_139	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_139	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_139	NCCCOCCCCCCCC	C15930662
MACCS_139	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_139	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_139	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_139	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_139	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_139	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_139	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_139	CC1COc2ccccc2N1	C32329207
MACCS_139	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_139	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_139	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_139	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_139	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_139	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_139	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_139	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_139	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_139	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_139	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_139	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_139	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_139	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_139	O=C/C=C/CCCCCCC	C3913813
MACCS_139	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_139	COC(OC)C(C)c1ccccc1	C90879
MACCS_139	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_139	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_139	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_139	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_139	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_139	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_139	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_139	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_139	CC/C=C\CCOC(OCC)C	C28069741
MACCS_139	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_139	NNC(=O)OCc1ccccc1	C5331431
MACCS_139	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_139	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_139	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_139	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_139	Cl[In](Cl)Cl.O.O	C143983919
MACCS_139	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_139	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_139	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_139	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_139	CCCCCCCCCC(C)C=O	C110418
MACCS_139	O=COCc1ccc(OC)cc1	C122918
MACCS_139	CCCCCc1ccco1	C3777693
MACCS_139	CCC(=O)C(=O)CC	C4437518
MACCS_139	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_139	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_140	CC(=O)N	C60355
MACCS_140	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_140	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_140	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_140	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_140	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_140	CC(=O)OCc1ccccc1	C140114
MACCS_140	CC(CNCC(C)O)O	C110974
MACCS_140	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_140	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_140	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_140	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_140	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_140	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_140	Clc1c(ccc(c1)N)C	C95749
MACCS_140	ClCOC	C107302
MACCS_140	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_140	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_140	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_140	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_140	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_140	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_140	S=C(NCC)NCC	C105555
MACCS_140	CN(C)C(=O)C	C127195
MACCS_140	CN(CCO)C	C108010
MACCS_140	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_140	CN(C)N	C57147
MACCS_140	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_140	C=CCc1ccc(cc1)OC	C140670
MACCS_140	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_140	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_140	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_140	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_140	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_140	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_140	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_140	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_140	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_140	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_140	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_140	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_140	COc1ccc(cc1)O	C150765
MACCS_140	NC(=O)OC	C598550
MACCS_140	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_140	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_140	C=Cc1ccc(cc1)C	C622979
MACCS_140	O=[N+](CC)[O-]	C79243
MACCS_140	CN(C(=O)N)N=O	C684935
MACCS_140	CN(N=O)C	C62759
MACCS_140	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_140	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_140	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_140	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_140	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_140	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_140	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_140	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_140	Nc1ccccc1C.Cl	C636215
MACCS_140	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_140	O=P(OC)(OC)OC	C512561
MACCS_140	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_140	OCCOCCOCCOCCCC	C143226
MACCS_140	CCCCCCCCCC=O	C112312
MACCS_140	CCCCCCCCCCCC(=O)O	C143077
MACCS_140	O=CCCCCCC	C111717
MACCS_140	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_140	CCCCCCCCC=O	C124196
MACCS_140	OC(=O)CCCC	C109524
MACCS_140	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_140	CS(=O)C	C67685
MACCS_140	OCCC	C71238
MACCS_140	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_140	OC(C)CN	C78966
MACCS_140	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_140	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_140	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_140	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_140	Nc1ccc(CCCC)cc1	C104132
MACCS_140	CCOC(=O)CC(=O)OCC	C105533
MACCS_140	CC(O)CC(C)(C)O	C107415
MACCS_140	CCCC(=O)C	C107879
MACCS_140	CCCCCC(=O)C	C110430
MACCS_140	CCNCCO	C110736
MACCS_140	CCCCCCO	C111273
MACCS_140	CCCCCCCO	C111706
MACCS_140	CCCCCCCCCC(=O)C	C112129
MACCS_140	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_140	Oc1ccc(CC)cc1	C123079
MACCS_140	CCCCCC(=O)OCC	C123660
MACCS_140	CCCCCCCCCCCCN	C124221
MACCS_140	CCCCCCCCCO	C143088
MACCS_140	COc1ccc(OC)cc1	C150787
MACCS_140	O=C(OC(C)(C)C)C	C540885
MACCS_140	Oc1ccc(CCC)cc1	C645567
MACCS_140	CCCCCCC1OC(=O)CC1	C706149
MACCS_140	CC/C=C\CCO	C928961
MACCS_140	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_140	CCCCCCCCCCN	C2016571
MACCS_140	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_140	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_140	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_140	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_140	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_140	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_140	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_140	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_140	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_140	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_140	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_140	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_140	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_140	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_140	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_140	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_140	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_140	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_140	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_140	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_140	c1(c(CC)cccc1)O	C90006
MACCS_140	c1c(O)cccc1CC	C620177
MACCS_140	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_140	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_140	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_140	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_140	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_140	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_140	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_140	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_140	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_140	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_140	c1cccc(OC)c1O	C90051
MACCS_140	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_140	C(=O)(O)C(C)O	C50215
MACCS_140	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_140	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_140	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_140	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_140	C[Si](=O)C	C9016006
MACCS_140	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_140	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_140	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_140	CNC	C124403
MACCS_140	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_140	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_140	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_140	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_140	CC(=C)C#N	C126987
MACCS_140	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_140	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_140	Cc1cc(O)ccc1	C108394
MACCS_140	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_140	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_140	CC(O)COC	C107982
MACCS_140	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_140	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_140	ON=CCCC	C110690
MACCS_140	O=C(OCCCC)C=C	C141322
MACCS_140	C(C)(C)(C)N	C75649
MACCS_140	C(OCCCC)C1CO1	C2426086
MACCS_140	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_140	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_140	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_140	C(C(=O)C)C(C)(C)O	C123422
MACCS_140	O=C(CC(C)C)CC(C)C	C108838
MACCS_140	N(C)(C)c1cccc(O)c1	C99070
MACCS_140	N(CCCN)(C)C	C109557
MACCS_140	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_140	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_140	Cc1c(C)cccc1O	C526750
MACCS_140	Cc1cc(C)cc(O)c1	C108689
MACCS_140	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_140	C(CCCCCC)CCCCCS	C112550
MACCS_140	O=C(OCC)c1c(N)cccc1	C87252
MACCS_140	C(CC)(C=O)CCCC	C123057
MACCS_140	OCC(C(O)CCC)CC	C94962
MACCS_140	CCC(=CCCC)C=O	C645625
MACCS_140	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_140	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_140	CC=C1CC2C=CC1C2	C16219753
MACCS_140	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_140	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_140	C(C)(C)(O)C#N	C75865
MACCS_140	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_140	O(C(C)C)C(=O)C	C108214
MACCS_140	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_140	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_140	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_140	N#CC(CCC#N)C	C4553622
MACCS_140	O=C(C)C=Cc1ccccc1	C122576
MACCS_140	C(CCCCCCC)C	C111842
MACCS_140	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_140	O(c1ccc(N)cc1)CC	C156434
MACCS_140	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_140	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_140	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_140	Cc1cccc2nn[nH]c12	C29385431
MACCS_140	O=P(OCC)(OCC)OCC	C78400
MACCS_140	N(C)(C)C	C75503
MACCS_140	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_140	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_140	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_140	Cc1cccc(C)c1	C108383
MACCS_140	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_140	N#CC(C)C	C78820
MACCS_140	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_140	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_140	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_140	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_140	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_140	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_140	O=C(C)OCC(CC)CCCC	C103093
MACCS_140	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_140	O=C1OCC(C)O1	C108327
MACCS_140	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_140	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_140	O=C(OC)CCCCCCCCC	C110429
MACCS_140	O=C(C)OCCOC(=O)C	C111557
MACCS_140	O=C(C)OCCOCCCC	C112072
MACCS_140	CCCCCCCCCCCCN(C)C	C112185
MACCS_140	OCCOCCOCCOC	C112356
MACCS_140	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_140	O=Cc1ccc(OC)cc1	C123115
MACCS_140	OC(CCCCCC)C	C123966
MACCS_140	OCC(N)(C)C	C124685
MACCS_140	OCC(C)(C)CO	C126307
MACCS_140	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_140	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_140	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_140	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_140	CC1=CCC(=C(C)C)CC1	C586629
MACCS_140	O=COC(C)C	C625558
MACCS_140	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_140	Cl[Sn](C)(C)Cl	C753731
MACCS_140	OC(C)COc1ccccc1	C770354
MACCS_140	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_140	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_140	O=C(N(C)C)CCCCCCC	C1118929
MACCS_140	Nc1cccc(C)c1C	C1300738
MACCS_140	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_140	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_140	OCCOCCOCCOCCOCCCC	C1559348
MACCS_140	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_140	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_140	O=C(N(C)C)CC(=O)C	C2044646
MACCS_140	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_140	OCCOCCC	C2807309
MACCS_140	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_140	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_140	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_140	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_140	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_140	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_140	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_140	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_140	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_140	Nc1c(C)cccc1CC	C24549062
MACCS_140	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_140	Clc1cccc(C)c1	C25168052
MACCS_140	CC(CO)O	C25322694
MACCS_140	SC(C)(C)CCCCCC	C25360105
MACCS_140	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_140	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_140	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_140	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_140	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_140	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_140	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_140	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_140	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_140	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_140	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_140	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_140	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_140	OC(CCCC(C)C)(C)CC	C78693
MACCS_140	Cc1cc(C)c(C)cc1C	C95932
MACCS_140	O=C(c1ccc(O)cc1)C	C99934
MACCS_140	CN1CCOCC1	C109024
MACCS_140	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_140	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_140	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_140	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_140	[S-]C(=S)NC.[Na+]	C137428
MACCS_140	O=C(C=C(C)C)C	C141797
MACCS_140	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_140	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_140	OC(C)COCCC	C1569013
MACCS_140	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_140	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_140	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_140	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_140	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_140	OCC(CCC)CCCCC	C10042598
MACCS_140	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_140	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_140	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_140	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_140	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_140	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_140	CC(=C)C1CC=C(C)CC1	C138863
MACCS_140	OC1CC(CCC1C(C)C)C	C1490046
MACCS_140	OCCC(C)CC(C)(C)C	C3452979
MACCS_140	OC(OCCCC)CC	C29387868
MACCS_140	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_140	ClC(Cl)(C)C	C594207
MACCS_140	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_140	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_140	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_140	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_140	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_140	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_140	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_140	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_140	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_140	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_140	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_140	OCn1nc(C)cc1C	C85264331
MACCS_140	OCCSCCCCCCCC	C3547339
MACCS_140	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_140	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_140	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_140	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_140	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_140	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_140	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_140	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_140	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_140	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_140	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_140	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_140	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_140	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_140	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_140	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_140	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_140	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_140	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_140	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_140	O=C1OC(CCCCC)CC1	C104610
MACCS_140	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_140	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_140	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_140	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_140	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_140	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_140	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_140	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_140	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_140	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_140	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_140	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_140	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_140	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_140	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_140	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_140	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_140	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_140	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_140	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_140	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_140	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_140	OC(CCCCC)C=C	C3391864
MACCS_140	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_140	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_140	Cc1ccc(C)c2c1cccc2	C571584
MACCS_140	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_140	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_140	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_140	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_140	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_140	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_140	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_140	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_140	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_140	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_140	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_140	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_140	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_140	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_140	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_140	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_140	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_140	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_140	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_140	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_140	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_140	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_140	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_140	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_140	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_140	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_140	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_140	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_140	O=C(CC)OCC	C105373
MACCS_140	O=C(c1ccccc1O)C	C118934
MACCS_140	O=C1OCC(CC)O1	C4437858
MACCS_140	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_140	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_140	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_140	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_140	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_140	Nc1ccc(CCCCC)cc1	C33228443
MACCS_140	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_140	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_140	O=C(OCC)c1c(C)cccc1	C87241
MACCS_140	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_140	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_140	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_140	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_140	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_140	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_140	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_140	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_140	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_140	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_140	CC(C)C1=CCC(=CC1)C	C99854
MACCS_140	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_140	CC1=CC=C(C(C)C)CC1	C99865
MACCS_140	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_140	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_140	CC(O)COCC	C1569024
MACCS_140	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_140	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_140	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_140	Oc1ccccc1CN(C)C	C120650
MACCS_140	O=C1CCC(O1)CC	C695067
MACCS_140	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_140	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_140	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_140	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_140	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_140	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_140	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_140	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_140	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_140	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_140	OC(CCCC(C)C)(C)C	C13254347
MACCS_140	O=C/C=C/CCC	C6728263
MACCS_140	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_140	OC(CC(C)C)(C)C#C	C107540
MACCS_140	O=C(C)OCC/C=C\CC	C3681718
MACCS_140	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_140	CCC(c1ccccc1)CCC	C4468422
MACCS_140	O=CCC/C=C\CCCCC	C21662099
MACCS_140	O=c1ccoc(CC)c1O	C4940118
MACCS_140	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_140	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_140	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_140	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_140	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_140	O=C(CCC)OCCCCC	C540181
MACCS_140	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_140	O=C(C)OC(C)c1ccccc1	C93925
MACCS_140	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_140	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_140	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_140	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_140	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_140	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_140	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_140	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_140	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_140	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_140	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_140	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_140	OC1CC(C)(C)CC(C)C1	C116029
MACCS_140	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_140	OP(OCC)OCC	C762049
MACCS_140	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_140	OCCOCC(CC)CCCC	C1559359
MACCS_140	O=C(CC)CCCCC	C106683
MACCS_140	OCCN(CC)CCO	C139877
MACCS_140	CCOC(OCC)OCC	C122510
MACCS_140	CCO[Si](OCC)(OCC)CC	C78079
MACCS_140	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_140	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_140	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_140	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_140	O=C(CCC)OCCCCCCC	C5870939
MACCS_140	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_140	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_140	Oc1cc(C(C)C)ccc1C	C499752
MACCS_140	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_140	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_140	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_140	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_140	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_140	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_140	S=C(NC)NC	C534134
MACCS_140	OC(C)C(=O)OCCCC	C138227
MACCS_140	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_140	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_140	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_140	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_140	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_140	Oc1c(OCC)cccc1	C94713
MACCS_140	Oc1ccc(C(C)C)cc1	C99898
MACCS_140	COc1ccc(CCC)cc1	C104450
MACCS_140	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_140	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_140	CO[Si](C)(C)OC	C1112396
MACCS_140	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_140	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_140	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_140	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_140	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_140	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_140	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_140	CCO[Si](OCC)(C)OCC	C2031676
MACCS_140	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_140	CO[Si](OC)(CCC)OC	C1067250
MACCS_140	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_140	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_140	O=C(C)OCCCCCCCC	C112141
MACCS_140	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_140	NNC(=S)NC	C6610293
MACCS_140	Oc1c(C(C)C)cccc1	C88697
MACCS_140	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_140	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_140	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_140	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_140	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_140	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_140	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_140	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_140	Oc1cc(C(C)C)ccc1	C618451
MACCS_140	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_140	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_140	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_140	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_140	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_140	OCC(CCCC)CCCCCC	C3913028
MACCS_140	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_140	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_140	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_140	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_140	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_140	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_140	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_140	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_140	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_140	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_140	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_140	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_140	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_140	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_140	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_140	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_140	Oc1ccc(CCCC)cc1	C1638228
MACCS_140	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_140	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_140	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_140	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_140	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_140	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_140	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_140	OCCOCC(C)OCCO	C9003116
MACCS_140	O=C1OC(CCC)CC1	C105215
MACCS_140	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_140	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_140	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_140	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_140	Nc1ccc(CCC)cc1	C2696846
MACCS_140	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_140	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_140	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_140	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_140	Sc1ccc(C)cc1	C106456
MACCS_140	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_140	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_140	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_140	Clc1ccc(CCCC)cc1	C15499271
MACCS_140	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_140	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_140	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_140	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_140	O=C1CCC(CCC)CC1	C40649363
MACCS_140	Nc1ccc(cc1)OCCCC	C4344552
MACCS_140	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_140	O=C(c1ccccc1)C(C)C	C611701
MACCS_140	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_140	OC1CCC(CCCC)CC1	C70568604
MACCS_140	Clc1ccc(CCCCC)cc1	C79098207
MACCS_140	O=C(OC)c1c(C)cccc1	C89714
MACCS_140	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_140	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_140	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_140	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_140	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_140	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_140	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_140	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_140	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_140	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_140	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_140	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_140	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_140	C[As](=O)(C)O	C75605
MACCS_140	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_140	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_140	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_140	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_140	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_140	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_140	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_140	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_140	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_140	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_140	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_140	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_140	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_140	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_140	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_140	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_140	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_140	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_140	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_140	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_140	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_140	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_140	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_140	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_140	CSC(=NOC(=O)NC)C	C16752775
MACCS_140	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_140	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_140	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_140	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_140	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_140	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_140	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_140	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_140	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_140	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_140	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_140	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_140	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_140	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_140	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_140	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_140	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_140	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_140	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_140	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_140	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_140	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_140	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_140	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_140	CCCN(CCC)C(=O)SCC	C759944
MACCS_140	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_140	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_140	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_140	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_140	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_140	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_140	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_140	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_140	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_140	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_140	NP(=O)(OC)SC	C10265926
MACCS_140	OCCOC	C109864
MACCS_140	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_140	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_140	O=C(SCC)N1CCCCCC1	C2212671
MACCS_140	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_140	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_140	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_140	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_140	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_140	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_140	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_140	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_140	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_140	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_140	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_140	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_140	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_140	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_140	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_140	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_140	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_140	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_140	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_140	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_140	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_140	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_140	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_140	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_140	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_140	CN1CN(C)CSC1=S	C533744
MACCS_140	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_140	S=C=NC	C556616
MACCS_140	O=C(NCCCC)OCC#CI	C55406536
MACCS_140	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_140	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_140	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_140	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_140	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_140	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_140	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_140	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_140	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_140	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_140	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_140	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_140	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_140	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_140	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_140	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_140	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_140	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_140	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_140	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_140	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_140	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_140	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_140	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_140	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_140	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_140	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_140	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_140	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_140	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_140	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_140	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_140	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_140	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_140	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_140	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_140	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_140	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_140	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_140	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_140	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_140	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_140	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_140	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_140	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_140	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_140	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_140	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_140	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_140	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_140	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_140	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_140	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_140	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_140	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_140	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_140	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_140	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_140	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_140	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_140	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_140	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_140	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_140	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_140	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_140	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_140	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_140	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_140	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_140	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_140	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_140	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_140	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_140	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_140	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_140	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_140	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_140	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_140	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_140	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_140	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_140	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_140	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_140	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_140	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_140	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_140	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_140	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_140	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_140	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_140	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_140	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_140	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_140	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_140	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_140	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_140	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_140	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_140	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_140	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_140	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_140	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_140	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_140	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_140	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_140	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_140	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_140	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_140	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_140	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_140	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_140	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_140	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_140	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_140	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_140	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_140	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_140	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_140	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_140	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_140	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_140	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_140	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_140	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_140	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_140	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_140	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_140	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_140	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_140	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_140	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_140	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_140	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_140	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_140	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_140	Nc1cc(ccc1OC)C	C120718
MACCS_140	Nc1c(ccc(c1)N)C	C95807
MACCS_140	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_140	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_140	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_140	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_140	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_140	CN(c1ccccc1)C	C121697
MACCS_140	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
MACCS_140	O=C(N(C)C)Cl	C79447
MACCS_140	CN(C=O)C	C68122
MACCS_140	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_140	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_140	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_140	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_140	CCC(CCCC)CO	C104767
MACCS_140	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_140	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_140	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_140	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_140	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_140	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_140	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_140	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_140	[nH]1c(=S)n(cc1)C	C60560
MACCS_140	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_140	CS(=O)(=O)OC	C66273
MACCS_140	O=C1N(CCC1)C	C872504
MACCS_140	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_140	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_140	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_140	Cc1c2c(ccc1)cccc2	C90120
MACCS_140	Cc1cc2cccnc2cc1	C91623
MACCS_140	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_140	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_140	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_140	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_140	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_140	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_140	O=NN(CCCC)CCCC	C924163
MACCS_140	CCN(CC)N=O	C55185
MACCS_140	O=NN(CCC)CCC	C621647
MACCS_140	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_140	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_140	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_140	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_140	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_140	CC(CO)O	C57556
MACCS_140	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_140	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_140	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_140	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_140	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_140	OC(=O)C=CC=CC	C110441
MACCS_140	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_140	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_140	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_140	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_140	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_140	Cc1c(ccc(c1)C)C	C95636
MACCS_140	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_140	NC(=O)OCC	C51796
MACCS_140	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_140	OC(=O)CCC	C107926
MACCS_140	CCCCOCCOCCO	C112345
MACCS_140	CCCCCCCCCC(=O)O	C334485
MACCS_140	CC(Cl)(Cl)C(=O)O	C75990
MACCS_140	O=C(O)CCCCCC	C111148
MACCS_140	CCCCCC(=O)O	C142621
MACCS_140	CCCCCCCCC(=O)O	C112050
MACCS_140	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_140	CCCCCCCC=O	C124130
MACCS_140	CCCCCCCC(=O)O	C124072
MACCS_140	CCCCC=O	C110623
MACCS_140	CCCCCCCCCCC	C1120214
MACCS_140	Oc1cc(C)c(Cl)cc1	C59507
MACCS_140	CC1(C)NC(=O)NC1=O	C77714
MACCS_140	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_140	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_140	CCN(CC)c1ccccc1	C91667
MACCS_140	Oc1c(C)cccc1	C95487
MACCS_140	CCC(=NO)C	C96297
MACCS_140	c1ccccc1C(=O)C	C98862
MACCS_140	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_140	CN(C)c1ccc(C)cc1	C99978
MACCS_140	CCN(CCO)CC	C100378
MACCS_140	CCNc1cc(C)ccc1	C102272
MACCS_140	Oc1c(C)cc(C)cc1	C105679
MACCS_140	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_140	Oc1ccc(C)cc1	C106445
MACCS_140	Nc1ccc(C)cc1	C106490
MACCS_140	CC(=O)OCCOCC	C111159
MACCS_140	CCCCCCCCO	C111875
MACCS_140	CCOCCOCCO	C111900
MACCS_140	CCCCCCCCCCO	C112301
MACCS_140	CCCCCCCCCCCCCO	C112709
MACCS_140	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_140	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_140	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_140	Oc1c(C)cc(C)cc1C	C527606
MACCS_140	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_140	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_140	Oc1c(C)c(C)ccc1C	C2416946
MACCS_140	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_140	c1(c(O)cccc1)C(CC)C	C89725
MACCS_140	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_140	Oc1ccc(C=CC)cc1OC	C97541
MACCS_140	c1(CCCC)ccccc1	C104518
MACCS_140	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_140	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_140	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_140	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_140	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_140	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_140	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_140	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_140	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_140	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_140	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_140	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_140	C(=O)(O)C(CCC)CCC	C99661
MACCS_140	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_140	O=N(=O)c1ccc(C)cc1	C99990
MACCS_140	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_140	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_140	Nc1c(OC)cccc1	C90040
MACCS_140	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_140	Cc1ccccc1Cl	C95498
MACCS_140	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_140	O=S(=O)(OCC)OCC	C64675
MACCS_140	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_140	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_140	O=S(=O)(OC)OC	C77781
MACCS_140	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_140	Oc1cc(C)c(C)cc1	C95658
MACCS_140	Oc1c(cccc1C)C	C576261
MACCS_140	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_140	CCOCCO	C110805
MACCS_140	CCCCOCCO	C111762
MACCS_140	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_140	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_140	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_140	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_140	OCCOCCOCCOCC	C112505
MACCS_140	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_140	ON=CC(C)(C)SC	C1646759
MACCS_140	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_140	Oc1c(ccc(N)c1)C	C2835952
MACCS_140	O(CCOC)CCOC	C111966
MACCS_140	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_140	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_140	Cc1ccc(Cl)cc1	C106434
MACCS_140	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_140	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_140	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_140	O(O)C(c1ccccc1)(C)C	C80159
MACCS_140	C(CCCCCCCC)C	C124185
MACCS_140	Nc1cc(C)ccc1N	C496720
MACCS_140	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_140	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_140	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_140	O(CCOC)CCO	C111773
MACCS_140	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_140	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_140	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_140	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_140	COC(=O)CCCC(=O)OC	C1119400
MACCS_140	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_140	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_140	Oc1c(ccc(C)c1)C	C95874
MACCS_140	C(=O)(OC)CCC(=O)OC	C106650
MACCS_140	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_140	N(c1ccccc1)CC	C103695
MACCS_140	O=C(O)C(CCCC)CC	C149575
MACCS_140	C(CC(C)C)OC(=O)C	C123922
MACCS_140	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_140	o1c(C)c(O)c(=O)cc1	C118718
MACCS_140	O=C(OC)c1c(N)cccc1	C134203
MACCS_140	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_140	O=C(OC)c1c(O)cccc1	C119368
MACCS_140	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_140	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_140	O=c1ccsn1CCCCCCCC	C26530201
MACCS_140	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_140	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_140	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_140	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_140	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_140	Nc1c(cccc1)C	C95534
MACCS_140	N(CCCC)(CCCC)CCCC	C102829
MACCS_140	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_140	C(OCCOC)COCCOC	C112492
MACCS_140	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_140	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_140	Nc1c(cccc1C)C	C87627
MACCS_140	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_140	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_140	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_140	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_140	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_140	CC(C)c1ccc(C)cc1	C99876
MACCS_140	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_140	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_140	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_140	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_140	OCCC(C)CCC=C(C)C	C106229
MACCS_140	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_140	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_140	OCCC(O)C	C107880
MACCS_140	OC(CC(C)C)C	C108112
MACCS_140	Nc1cccc(C)c1	C108441
MACCS_140	Cc1cc(C)cc(C)c1	C108678
MACCS_140	O=C(OC)CCCCCCC	C111115
MACCS_140	O=C(OC)CCCCCCCCCCC	C111820
MACCS_140	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_140	OCCOCCCCCC	C112254
MACCS_140	OCCCCCCCCCCC	C112425
MACCS_140	OCCCCCCCCCCCC	C112538
MACCS_140	OCCCCCCCCCCCCCC	C112721
MACCS_140	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_140	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_140	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_140	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_140	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_140	CCCCCCCCCCCCCCCC	C544763
MACCS_140	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_140	Nc1c(CC)cccc1CC	C579668
MACCS_140	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_140	O=C(C)OCCCCC	C628637
MACCS_140	CCCCCCCCCCCCCCC	C629629
MACCS_140	OCCCCCCCCCCCCCCC	C629765
MACCS_140	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_140	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_140	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_140	Nc1cccc(C)c1N	C2687254
MACCS_140	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_140	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_140	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_140	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_140	OC(OC(O)CC)CC	C25265718
MACCS_140	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_140	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_140	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_140	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_140	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_140	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_140	OC(OCCCOC)CC	C34590948
MACCS_140	OCCCCCCCCCCCCCCCC	C36653824
MACCS_140	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_140	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_140	O=C(OC)CC(=O)OC	C108598
MACCS_140	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_140	CCC12N(COC1)COC2	C7747355
MACCS_140	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_140	O=C(N)C(=C)C	C79390
MACCS_140	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_140	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_140	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_140	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_140	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_140	S=P(OCC)(OCC)SCSCC	C298022
MACCS_140	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_140	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_140	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_140	O=c1n(C)sc(Cl)c1	C26172554
MACCS_140	O=C1CCC(O1)CCCCCCC	C104676
MACCS_140	Oc1cc(C)ccc1C(C)C	C89838
MACCS_140	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_140	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_140	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_140	CCCCCCCCN(C)C	C7378996
MACCS_140	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_140	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_140	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_140	O=C(OCC)CCC(=O)OCC	C123251
MACCS_140	O=C(CCC)OCC	C105544
MACCS_140	O=C(OCC)CCCCCC	C106309
MACCS_140	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_140	O=C(OCCCC)c1ccccc1	C136607
MACCS_140	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_140	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_140	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_140	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_140	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_140	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_140	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_140	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_140	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_140	O=C(CCC)OCCC(C)C	C106274
MACCS_140	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_140	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_140	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_140	CCCc1ccccc1	C103651
MACCS_140	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_140	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_140	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_140	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_140	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_140	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_140	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_140	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_140	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_140	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_140	CC(C)(C)c1ccccc1	C98066
MACCS_140	O=C(C)NC	C79163
MACCS_140	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_140	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_140	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_140	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_140	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_140	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_140	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_140	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_140	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_140	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_140	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_140	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_140	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_140	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_140	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_140	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_140	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_140	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_140	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_140	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_140	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_140	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_140	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_140	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_140	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_140	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_140	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_140	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_140	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_140	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_140	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_140	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_140	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_140	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_140	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_140	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_140	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_140	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_140	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_140	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_140	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_140	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_140	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_140	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_140	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_140	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_140	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_140	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_140	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_140	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_140	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_140	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_140	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_140	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_140	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_140	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_140	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_140	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_140	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_140	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_140	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_140	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_140	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_140	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_140	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_140	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_140	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_140	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_140	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_140	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_140	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_140	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_140	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_140	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_140	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_140	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_140	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_140	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_140	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_140	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_140	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_140	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_140	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_140	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_140	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_140	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_140	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_140	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_140	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_140	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_140	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_140	C=CCCCCCCCCCCCC	C1120361
MACCS_140	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_140	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_140	OC(C(CC)CCCC)C#C	C5877429
MACCS_140	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_140	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_140	C(=O)(C)O	C64197
MACCS_140	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_140	C(CO)C(C)C	C123513
MACCS_140	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_140	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_140	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_140	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_140	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_140	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_140	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_140	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_140	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_140	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_140	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_140	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_140	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_140	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_140	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_140	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_140	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_140	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_140	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_140	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_140	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_140	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_140	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_140	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_140	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_140	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_140	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_140	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_140	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_140	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_140	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_140	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_140	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_140	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_140	OCCC(OC)C	C2517433
MACCS_140	S=C(NCCCC)NCCCC	C109466
MACCS_140	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_140	O=CCC(C)CCC=C(C)C	C106230
MACCS_140	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_140	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_140	O=COCC	C109944
MACCS_140	O=C(OCC)c1ccccc1	C93890
MACCS_140	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_140	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_140	O=CCCSC	C3268493
MACCS_140	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_140	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_140	N(CCN(C)C)(C)C	C110189
MACCS_140	CCN(CC)CC	C121448
MACCS_140	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_140	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_140	CC(=O)OCC	C141786
MACCS_140	CC(=O)OCCCC	C123864
MACCS_140	CC(=O)CCC(C)C	C110123
MACCS_140	n1cc(C)ccc1	C108996
MACCS_140	CC(=O)CC(C)C	C108101
MACCS_140	CC(C)C=O	C78842
MACCS_140	CCCCCC=O	C66251
MACCS_140	CCCC=O	C123728
MACCS_140	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_140	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_140	CCC1CO1	C106887
MACCS_140	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_140	CC1CC(=O)O1	C3068880
MACCS_140	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_140	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_140	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_140	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_140	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_140	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_140	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_140	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_140	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_140	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_140	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_140	CC(c1ccc(CO)cc1)C	C536607
MACCS_140	CC(=O)C(=O)O	C127173
MACCS_140	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_140	CN(C)c1ccc(C=O)cc1	C100107
MACCS_140	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_140	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_140	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_140	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_140	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_140	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_140	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_140	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_140	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_140	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_140	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_140	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_140	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_140	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_140	Nc1ccc(OC)cc1	C104949
MACCS_140	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_140	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_140	O=CC=CC=CCCCCC	C25152845
MACCS_140	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_140	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_140	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_140	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_140	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_140	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_140	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_140	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_140	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_140	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_140	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_140	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_140	OCC=C(C)C	C556821
MACCS_140	ClC(=O)C(CC)CCCC	C760678
MACCS_140	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_140	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_140	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_140	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_140	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_140	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_140	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_140	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_140	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_140	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_140	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_140	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_140	O=c1cc(C)o[nH]1	C10004441
MACCS_140	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_140	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_140	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_140	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_140	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_140	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_140	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_140	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_140	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_140	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_140	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_140	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_140	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_140	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_140	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_140	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_140	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_140	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_140	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_140	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_140	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_140	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_140	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_140	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_140	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_140	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_140	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_140	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_140	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_140	Br[Sn](CC)(CC)CC	C2767546
MACCS_140	O=P(OCCCC)(O)OCCCC	C107664
MACCS_140	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_140	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_140	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_140	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_140	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_140	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_140	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_140	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_140	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_140	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_140	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_140	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_140	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_140	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_140	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_140	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_140	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_140	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_140	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_140	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_140	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_140	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_140	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_140	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_140	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_140	N#CSCCCCCCCCCCCC	C765151
MACCS_140	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_140	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_140	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_140	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_140	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_140	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_140	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_140	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_140	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_140	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_140	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_140	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_140	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_140	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_140	CCCCCCCCCCCCN.Cl	C929737
MACCS_140	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_140	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_140	BrCCCCCCCCCCCC	C143157
MACCS_140	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_140	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_140	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_140	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_140	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_140	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_140	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_140	O=C(OC)CCCC(=O)O	C1501275
MACCS_140	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_140	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_140	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_140	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_140	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_140	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_140	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_140	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_140	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_140	NCCCOCCCCCCCC	C15930662
MACCS_140	Nc1cccc(C)n1	C1824813
MACCS_140	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_140	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_140	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_140	CC1COc2ccccc2N1	C32329207
MACCS_140	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_140	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_140	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_140	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_140	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_140	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_140	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_140	O=C/C=C/CCCCCCC	C3913813
MACCS_140	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_140	COC(OC)C(C)c1ccccc1	C90879
MACCS_140	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_140	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_140	S=C=NCCCSC	C505793
MACCS_140	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_140	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_140	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_140	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_140	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_140	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_140	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_140	CC/C=C\CCOC(OCC)C	C28069741
MACCS_140	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_140	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_140	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_140	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_140	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_140	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_140	CCCCCCCCCC(C)C=O	C110418
MACCS_140	O=COCc1ccc(OC)cc1	C122918
MACCS_140	CCCCCc1ccco1	C3777693
MACCS_140	CCC(=O)C(=O)CC	C4437518
MACCS_140	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_140	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_141	CC(=O)N	C60355
MACCS_141	C=CC#N	C107131
MACCS_141	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_141	C=CCN=C=S	C57067
MACCS_141	c1(nc[nH]n1)N	C61825
MACCS_141	Nc1ccccc1.Cl	C142041
MACCS_141	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_141	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_141	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_141	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_141	[nH]1c2c(cccc2)nn1	C95147
MACCS_141	CC(CNCC(C)O)O	C110974
MACCS_141	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_141	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_141	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_141	Clc1c(ccc(c1)N)C	C95749
MACCS_141	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_141	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_141	NC(=N)NC#N	C461585
MACCS_141	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_141	S=C(NCC)NCC	C105555
MACCS_141	CN(C)C(=O)C	C127195
MACCS_141	CN(CCO)C	C108010
MACCS_141	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_141	CN(C)N	C57147
MACCS_141	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_141	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_141	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_141	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_141	c1cccc2[nH]ccc12	C120729
MACCS_141	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_141	NC(=O)OC	C598550
MACCS_141	NC(=O)c1cccnc1	C98920
MACCS_141	OC(=O)c1cccnc1	C59676
MACCS_141	O=[N+](CC)[O-]	C79243
MACCS_141	CN(C(=O)N)N=O	C684935
MACCS_141	CN(N=O)C	C62759
MACCS_141	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_141	O=NN1CCCC1	C930552
MACCS_141	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_141	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_141	Nc1ccc(cc1)N	C106503
MACCS_141	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_141	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_141	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_141	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_141	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_141	NC(=S)N	C62566
MACCS_141	Nc1ccccc1C.Cl	C636215
MACCS_141	c1(O)ccccc1C(=O)N	C65452
MACCS_141	OC(C)CN	C78966
MACCS_141	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_141	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_141	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_141	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_141	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_141	ON=C1CCCCC1	C100641
MACCS_141	OCCN1CCNCC1	C103764
MACCS_141	Nc1ccc(CCCC)cc1	C104132
MACCS_141	N#CCC#N	C109773
MACCS_141	CCNCCO	C110736
MACCS_141	CCCCCCCCCCCCN	C124221
MACCS_141	NCCN1CCNCC1	C140318
MACCS_141	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_141	CCCCCCCCCCN	C2016571
MACCS_141	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_141	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_141	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_141	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_141	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_141	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_141	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_141	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_141	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_141	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_141	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_141	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_141	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_141	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_141	NC(CO)(CO)CO	C77861
MACCS_141	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_141	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_141	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_141	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_141	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_141	CNC	C124403
MACCS_141	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_141	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_141	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_141	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_141	CC(=C)C#N	C126987
MACCS_141	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_141	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_141	O=C(N)N=NC(=O)N	C123773
MACCS_141	c1ccc2ncsc2c1	C95169
MACCS_141	ON=CCCC	C110690
MACCS_141	C(C)(C)(C)N	C75649
MACCS_141	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_141	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_141	C(CCN)CCCN	C124094
MACCS_141	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_141	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_141	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_141	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_141	N(CCN)CCN	C111400
MACCS_141	N(C)(C)c1cccc(O)c1	C99070
MACCS_141	N(CCCN)(C)C	C109557
MACCS_141	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_141	OCNC(=O)NCO	C140954
MACCS_141	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_141	O=C(OCC)c1c(N)cccc1	C87252
MACCS_141	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_141	C(C)(C)(O)C#N	C75865
MACCS_141	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_141	N#CC(CCC#N)C	C4553622
MACCS_141	C1COCCN1	C110918
MACCS_141	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_141	c12ncccc1ccc1c2nccc1	C66717
MACCS_141	O(c1ccc(N)cc1)CC	C156434
MACCS_141	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_141	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_141	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_141	Cc1cccc2nn[nH]c12	C29385431
MACCS_141	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_141	N(C)(C)C	C75503
MACCS_141	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_141	N#CC(C)C	C78820
MACCS_141	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_141	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_141	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_141	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_141	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_141	N1CCCCCC1	C111499
MACCS_141	CCCCCCCCCCCCN(C)C	C112185
MACCS_141	OCC(N)(C)C	C124685
MACCS_141	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_141	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_141	O=C1NCCC1	C616455
MACCS_141	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_141	O=C(N)[O-].[NH4+]	C1111780
MACCS_141	O=C(N(C)C)CCCCCCC	C1118929
MACCS_141	Nc1cccc(C)c1C	C1300738
MACCS_141	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_141	O=C(N(C)C)CC(=O)C	C2044646
MACCS_141	NNC(=S)NN	C2231574
MACCS_141	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_141	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_141	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_141	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_141	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_141	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_141	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_141	Nc1c(C)cccc1CC	C24549062
MACCS_141	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_141	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_141	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_141	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_141	CN1CCOCC1	C109024
MACCS_141	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_141	[S-]C(=S)NC.[Na+]	C137428
MACCS_141	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_141	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_141	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_141	n1c[nH]cc1	C288324
MACCS_141	N#C[S-].[NH4+]	C1762954
MACCS_141	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_141	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_141	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_141	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_141	O=C1NC2NC(=O)NC2N1	C496468
MACCS_141	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_141	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_141	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_141	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_141	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_141	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_141	OCn1nc(C)cc1C	C85264331
MACCS_141	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_141	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_141	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_141	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_141	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_141	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_141	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_141	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_141	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_141	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_141	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_141	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_141	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_141	O=S(=O)(N)O	C5329146
MACCS_141	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_141	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_141	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_141	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_141	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_141	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_141	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_141	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_141	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_141	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_141	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_141	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_141	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_141	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_141	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_141	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_141	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_141	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_141	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_141	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_141	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_141	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_141	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_141	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_141	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_141	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_141	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_141	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_141	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_141	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_141	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_141	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_141	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_141	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_141	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_141	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_141	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_141	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_141	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_141	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_141	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_141	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_141	Nc1ccc(CCCCC)cc1	C33228443
MACCS_141	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_141	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_141	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_141	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_141	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_141	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_141	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_141	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_141	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_141	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_141	Oc1ccccc1CN(C)C	C120650
MACCS_141	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_141	O=C(Nc1ccccc1)CCl	C587655
MACCS_141	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_141	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_141	NCCCN1CCOCC1	C123002
MACCS_141	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_141	N#Cc1c(O)cccc1	C611201
MACCS_141	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_141	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_141	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_141	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_141	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_141	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_141	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_141	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_141	OCCN(CC)CCO	C139877
MACCS_141	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_141	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_141	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_141	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_141	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_141	S=C(NC)NC	C534134
MACCS_141	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_141	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_141	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_141	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_141	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_141	O=C(N)Nc1ccccc1	C64108
MACCS_141	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_141	NNC(=S)NC	C6610293
MACCS_141	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_141	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_141	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_141	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_141	NCCN.I.I	C5700492
MACCS_141	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_141	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_141	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_141	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_141	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_141	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_141	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_141	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_141	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_141	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_141	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_141	Nc1ccc(CCC)cc1	C2696846
MACCS_141	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_141	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_141	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_141	Nc1ccc(cc1)OCCCC	C4344552
MACCS_141	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_141	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_141	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_141	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_141	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_141	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_141	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_141	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_141	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_141	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_141	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_141	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_141	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_141	S=C1NCCN1	C96457
MACCS_141	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_141	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_141	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_141	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_141	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_141	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_141	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_141	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_141	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_141	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_141	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_141	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_141	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_141	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_141	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_141	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_141	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_141	c1ccccc1Nc1ccccc1	C122394
MACCS_141	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_141	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_141	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_141	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_141	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_141	CSC(=NOC(=O)NC)C	C16752775
MACCS_141	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_141	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_141	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_141	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_141	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_141	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_141	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_141	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_141	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_141	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_141	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_141	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_141	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_141	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_141	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_141	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_141	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_141	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_141	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_141	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_141	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_141	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_141	CCCN(CCC)C(=O)SCC	C759944
MACCS_141	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_141	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_141	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_141	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_141	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_141	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_141	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_141	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_141	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_141	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_141	NP(=O)(OC)SC	C10265926
MACCS_141	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_141	O=C(SCC)N1CCCCCC1	C2212671
MACCS_141	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_141	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_141	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_141	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_141	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_141	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_141	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_141	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_141	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_141	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_141	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_141	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_141	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_141	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_141	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_141	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_141	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_141	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_141	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_141	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_141	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_141	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_141	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_141	CN1CN(C)CSC1=S	C533744
MACCS_141	C(SC#N)SC#N	C6317186
MACCS_141	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_141	S=C=NC	C556616
MACCS_141	O=C(NCCCC)OCC#CI	C55406536
MACCS_141	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_141	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_141	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_141	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_141	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_141	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_141	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_141	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_141	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_141	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_141	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_141	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_141	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_141	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_141	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_141	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_141	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_141	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_141	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_141	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_141	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_141	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_141	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_141	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_141	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_141	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_141	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_141	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_141	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_141	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_141	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_141	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_141	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_141	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_141	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_141	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_141	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_141	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_141	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_141	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_141	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_141	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_141	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_141	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_141	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_141	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_141	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_141	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_141	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_141	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_141	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_141	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_141	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_141	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_141	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_141	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_141	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_141	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_141	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_141	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_141	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_141	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_141	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_141	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_141	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_141	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_141	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_141	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_141	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_141	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_141	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_141	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_141	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_141	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_141	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_141	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_141	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_141	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_141	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_141	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_141	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_141	N#CN	C420042
MACCS_141	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_141	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_141	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_141	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_141	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_141	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_141	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_141	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_141	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_141	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_141	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_141	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_141	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_141	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_141	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_141	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_141	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_141	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_141	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_141	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_141	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_141	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_141	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_141	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_141	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_141	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_141	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_141	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_141	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_141	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_141	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_141	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_141	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_141	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_141	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_141	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_141	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_141	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_141	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_141	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_141	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_141	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_141	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_141	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_141	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_141	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_141	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_141	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_141	NC(=O)C=C	C79061
MACCS_141	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_141	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_141	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_141	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_141	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_141	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_141	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_141	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_141	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_141	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_141	O=C1CCCCCN1	C105602
MACCS_141	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_141	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_141	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_141	Nc1c(ccc(c1)Cl)N	C95830
MACCS_141	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_141	Nc1ccc(cc1)Cl	C106478
MACCS_141	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_141	Nc1cc(ccc1OC)C	C120718
MACCS_141	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_141	Nc1c(ccc(c1)N)C	C95807
MACCS_141	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_141	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_141	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_141	CN(c1ccccc1)C	C121697
MACCS_141	O=C(N(C)C)Cl	C79447
MACCS_141	CN(C=O)C	C68122
MACCS_141	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_141	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_141	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_141	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_141	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_141	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_141	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_141	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_141	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_141	C1N2CN3CN(C2)CN1C3	C100970
MACCS_141	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_141	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_141	Oc1cccc2cccnc12	C148243
MACCS_141	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_141	O=C(c1ccncc1)NN	C54853
MACCS_141	Sc1nc2c(cccc2)s1	C149304
MACCS_141	[nH]1c(=S)n(cc1)C	C60560
MACCS_141	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_141	O=C1N(CCC1)C	C872504
MACCS_141	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_141	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_141	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_141	Cc1cc2cccnc2cc1	C91623
MACCS_141	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_141	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_141	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_141	Nc1cc2c(cccc2)cc1	C91598
MACCS_141	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_141	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_141	O=N[O-].[Na+]	C7632000
MACCS_141	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_141	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_141	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_141	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_141	O=[N+](c1ccccc1)[O-]	C98953
MACCS_141	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_141	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_141	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_141	O=NN(CCCC)CCCC	C924163
MACCS_141	CCN(CC)N=O	C55185
MACCS_141	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_141	O=NN(CCC)CCC	C621647
MACCS_141	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_141	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_141	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_141	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_141	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_141	Nc1cc(ccc1)N	C108452
MACCS_141	C1CNCCN1	C110850
MACCS_141	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_141	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_141	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_141	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_141	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_141	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_141	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_141	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_141	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_141	OCCN(CCO)CCO	C102716
MACCS_141	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_141	C(=O)(N)N	C57136
MACCS_141	NC(=O)OCC	C51796
MACCS_141	O=C1N(C=C)CCC1	C88120
MACCS_141	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_141	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_141	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_141	CC1(C)NC(=O)NC1=O	C77714
MACCS_141	n1cccc2c1cccc2	C91225
MACCS_141	CCN(CC)c1ccccc1	C91667
MACCS_141	CCC(=NO)C	C96297
MACCS_141	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_141	CN(C)c1ccc(C)cc1	C99978
MACCS_141	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_141	CCN(CCO)CC	C100378
MACCS_141	CCNc1cc(C)ccc1	C102272
MACCS_141	Nc1ccc(C)cc1	C106490
MACCS_141	OCCNCCO	C111422
MACCS_141	N#CCCCCC#N	C111693
MACCS_141	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_141	OCCN	C141435
MACCS_141	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_141	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_141	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_141	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_141	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_141	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_141	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_141	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_141	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_141	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_141	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_141	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_141	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_141	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_141	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_141	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_141	O=N(=O)c1ccc(C)cc1	C99990
MACCS_141	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_141	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_141	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_141	Nc1c(OC)cccc1	C90040
MACCS_141	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_141	NC1CCCCC1	C108918
MACCS_141	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_141	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_141	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_141	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_141	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_141	O=C=NCCCCCCN=C=O	C822060
MACCS_141	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_141	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_141	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_141	ON=CC(C)(C)SC	C1646759
MACCS_141	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_141	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_141	O=C(O)c1ccc(N)cc1	C150130
MACCS_141	Oc1c(ccc(N)c1)C	C2835952
MACCS_141	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_141	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_141	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_141	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_141	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_141	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_141	Nc1cc(C)ccc1N	C496720
MACCS_141	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_141	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_141	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_141	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_141	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_141	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_141	N(c1ccccc1)CC	C103695
MACCS_141	C(=O)(N)NO	C127071
MACCS_141	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_141	O=C(OC)c1c(N)cccc1	C134203
MACCS_141	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_141	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_141	O=c1ccsn1CCCCCCCC	C26530201
MACCS_141	Nc1c(N)cccc1	C95545
MACCS_141	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_141	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_141	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_141	Nc1c(cccc1)C	C95534
MACCS_141	N(CCCC)(CCCC)CCCC	C102829
MACCS_141	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_141	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_141	Nc1c(cccc1C)C	C87627
MACCS_141	N#Cc1cnccc1	C100549
MACCS_141	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_141	Nc1cccc(C)c1	C108441
MACCS_141	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_141	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_141	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_141	[nH]1ncnc1	C288880
MACCS_141	c1(c2ccncc2)ccncc1	C553264
MACCS_141	Nc1c(CC)cccc1CC	C579668
MACCS_141	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_141	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_141	Nc1cccc(C)c1N	C2687254
MACCS_141	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_141	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_141	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_141	CCC12N(COC1)COC2	C7747355
MACCS_141	O=C(N)C(=C)C	C79390
MACCS_141	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_141	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_141	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_141	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_141	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_141	O=c1[nH]sc2c1cccc2	C2634335
MACCS_141	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_141	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_141	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_141	Nn1cnnc1	C584134
MACCS_141	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_141	O=c1n(C)sc(Cl)c1	C26172554
MACCS_141	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_141	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_141	CCCCCCCCN(C)C	C7378996
MACCS_141	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_141	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_141	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_141	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_141	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_141	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_141	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_141	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_141	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_141	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_141	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_141	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_141	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_141	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_141	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_141	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_141	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_141	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_141	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_141	O=C(C)NC	C79163
MACCS_141	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_141	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_141	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_141	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_141	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_141	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_141	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_141	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_141	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_141	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_141	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_141	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_141	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_141	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_141	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_141	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_141	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_141	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_141	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_141	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_141	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_141	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_141	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_141	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_141	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_141	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_141	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_141	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_141	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_141	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_141	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_141	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_141	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_141	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_141	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_141	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_141	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_141	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_141	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_141	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_141	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_141	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_141	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_141	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_141	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_141	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_141	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_141	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_141	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_141	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_141	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_141	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_141	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_141	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_141	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_141	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_141	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_141	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_141	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_141	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_141	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_141	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_141	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_141	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_141	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_141	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_141	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_141	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_141	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_141	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_141	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_141	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_141	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_141	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_141	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_141	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_141	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_141	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_141	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_141	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_141	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_141	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_141	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_141	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_141	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_141	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_141	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_141	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_141	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_141	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_141	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_141	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_141	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_141	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_141	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_141	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_141	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_141	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_141	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_141	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_141	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_141	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_141	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_141	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_141	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_141	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_141	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_141	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_141	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_141	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_141	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_141	C(=O)N	C75127
MACCS_141	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_141	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_141	N#CC(Br)Br	C3252435
MACCS_141	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_141	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_141	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_141	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_141	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_141	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_141	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_141	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_141	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_141	NCCOCCOCCN	C929599
MACCS_141	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_141	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_141	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_141	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_141	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_141	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_141	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_141	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_141	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_141	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_141	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_141	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_141	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_141	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_141	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_141	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_141	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_141	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_141	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_141	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_141	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_141	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_141	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_141	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_141	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_141	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_141	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_141	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_141	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_141	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_141	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_141	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_141	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_141	S=C(NCCCC)NCCCC	C109466
MACCS_141	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_141	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_141	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_141	NCc1cccc(CN)c1	C1477550
MACCS_141	N(CCN(C)C)(C)C	C110189
MACCS_141	CCN(CC)CC	C121448
MACCS_141	n1cc(C)ccc1	C108996
MACCS_141	NCCN	C107153
MACCS_141	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_141	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_141	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_141	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_141	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_141	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_141	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_141	Clc1ccc(N)cc1.Cl	C20265967
MACCS_141	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_141	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_141	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_141	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_141	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_141	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_141	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_141	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_141	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_141	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_141	NNc1ccccc1.Cl	C59881
MACCS_141	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_141	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_141	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_141	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_141	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_141	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_141	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_141	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_141	N#Cc1ccccc1	C100470
MACCS_141	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_141	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_141	CN(C)c1ccc(C=O)cc1	C100107
MACCS_141	Nc1ccc(Br)cc1	C106401
MACCS_141	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_141	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_141	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_141	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_141	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_141	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_141	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_141	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_141	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_141	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_141	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_141	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_141	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_141	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_141	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_141	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_141	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_141	Nc1ccc(OC)cc1	C104949
MACCS_141	c12ccccc1ccc1c2cccn1	C85029
MACCS_141	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_141	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_141	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_141	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_141	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_141	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_141	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_141	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_141	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_141	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_141	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_141	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_141	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_141	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_141	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_141	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_141	OCc1c[nH]c2c1cccc2	C700061
MACCS_141	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_141	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_141	O=c1cc(C)o[nH]1	C10004441
MACCS_141	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_141	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_141	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_141	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_141	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_141	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_141	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_141	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_141	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_141	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_141	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_141	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_141	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_141	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_141	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_141	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_141	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_141	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_141	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_141	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_141	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_141	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_141	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_141	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_141	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_141	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_141	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_141	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_141	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_141	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_141	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_141	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_141	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_141	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_141	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_141	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_141	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_141	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_141	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_141	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_141	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_141	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_141	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_141	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_141	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_141	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_141	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_141	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_141	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_141	N#CSCCCCCCCCCCCC	C765151
MACCS_141	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_141	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_141	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_141	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_141	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_141	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_141	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_141	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_141	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_141	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_141	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_141	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_141	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_141	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_141	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_141	O=CN1CCCCC1	C2591868
MACCS_141	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_141	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_141	CCCCCCCCCCCCN.Cl	C929737
MACCS_141	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_141	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_141	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_141	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_141	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_141	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_141	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_141	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_141	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_141	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_141	N#C[Au-]C#N.[K+]	C13967505
MACCS_141	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_141	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_141	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_141	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_141	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_141	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_141	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_141	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_141	NCCCOCCCCCCCC	C15930662
MACCS_141	Nc1cccc(C)n1	C1824813
MACCS_141	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_141	CC1COc2ccccc2N1	C32329207
MACCS_141	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_141	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_141	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_141	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_141	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_141	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_141	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_141	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_141	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_141	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_141	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_141	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_141	S=C=NCCCSC	C505793
MACCS_141	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_141	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_141	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_141	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_141	NNC(=O)OCc1ccccc1	C5331431
MACCS_141	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_141	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_141	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_141	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_141	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_142	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_142	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_142	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_142	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_142	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_142	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_142	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_142	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_142	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_142	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_142	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_142	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_142	O=C1CCCCC1	C108941
MACCS_142	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_142	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_142	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_142	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_142	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_142	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_142	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_142	C=CCc1ccc(cc1)OC	C140670
MACCS_142	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_142	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_142	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_142	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_142	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_142	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_142	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_142	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_142	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_142	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_142	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_142	COc1ccc(cc1)O	C150765
MACCS_142	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_142	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_142	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_142	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_142	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_142	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_142	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_142	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_142	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_142	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_142	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_142	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_142	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_142	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_142	c1(O)ccccc1C(=O)N	C65452
MACCS_142	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_142	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_142	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_142	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_142	O=Cc1ccccc1O	C90028
MACCS_142	Oc1cccc2ccccc12	C90153
MACCS_142	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_142	c1ccccc1Oc1ccccc1	C101848
MACCS_142	Oc1ccc(Cl)cc1	C106489
MACCS_142	C1CCCCC1O	C108930
MACCS_142	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_142	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_142	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_142	Oc1ccc(CC)cc1	C123079
MACCS_142	COc1ccc(OC)cc1	C150787
MACCS_142	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_142	Oc1ccc(CCC)cc1	C645567
MACCS_142	CCCCCCC1OC(=O)CC1	C706149
MACCS_142	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_142	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_142	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_142	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_142	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_142	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_142	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_142	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_142	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_142	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_142	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_142	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_142	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_142	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_142	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_142	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_142	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_142	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_142	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_142	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_142	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_142	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_142	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_142	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_142	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_142	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_142	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_142	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_142	c1(c(CC)cccc1)O	C90006
MACCS_142	c1c(O)cccc1CC	C620177
MACCS_142	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_142	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_142	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_142	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_142	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_142	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_142	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_142	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_142	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_142	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_142	c1cccc(OC)c1O	C90051
MACCS_142	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_142	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_142	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_142	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_142	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_142	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_142	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_142	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_142	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_142	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_142	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_142	Cc1cc(O)ccc1	C108394
MACCS_142	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_142	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_142	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_142	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_142	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_142	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_142	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_142	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_142	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_142	Oc1cc(Cl)ccc1Cl	C583788
MACCS_142	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_142	N(C)(C)c1cccc(O)c1	C99070
MACCS_142	Cc1c(C)cccc1O	C526750
MACCS_142	Cc1cc(C)cc(O)c1	C108689
MACCS_142	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_142	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_142	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_142	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_142	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_142	O(c1ccc(N)cc1)CC	C156434
MACCS_142	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_142	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_142	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_142	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_142	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_142	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_142	O=C(O)c1ccccc1O	C69727
MACCS_142	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_142	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_142	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_142	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_142	O=C(O)c1ccc(O)cc1	C99967
MACCS_142	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_142	O=C1OCC(C)O1	C108327
MACCS_142	O=Cc1ccc(OC)cc1	C123115
MACCS_142	Oc1ccc2ccccc2c1	C135193
MACCS_142	[O-]c1ccccc1.[Na+]	C139026
MACCS_142	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_142	O=C1NCCC1	C616455
MACCS_142	OC(C)COc1ccccc1	C770354
MACCS_142	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_142	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_142	OC1CCCCCCCCCCC1	C1724396
MACCS_142	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_142	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_142	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_142	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_142	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_142	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_142	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_142	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_142	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_142	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_142	O=C(c1ccc(O)cc1)C	C99934
MACCS_142	O=C1CCCC1	C120923
MACCS_142	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_142	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_142	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_142	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_142	OC1CC(CCC1C(C)C)C	C1490046
MACCS_142	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_142	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_142	O=C1NC2NC(=O)NC2N1	C496468
MACCS_142	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_142	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_142	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_142	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_142	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_142	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_142	Clc1c(Cl)ssc1=O	C1192525
MACCS_142	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_142	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_142	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_142	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_142	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_142	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_142	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_142	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_142	OC1CCCC1	C96413
MACCS_142	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_142	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_142	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_142	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_142	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_142	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_142	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_142	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_142	O=C1OC(CCCCC)CC1	C104610
MACCS_142	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_142	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_142	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_142	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_142	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_142	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_142	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_142	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_142	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_142	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_142	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_142	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_142	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_142	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_142	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_142	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_142	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_142	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_142	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_142	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_142	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_142	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_142	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_142	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_142	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_142	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_142	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_142	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_142	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_142	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_142	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_142	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_142	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_142	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_142	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_142	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_142	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_142	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_142	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_142	O=C(c1ccccc1O)C	C118934
MACCS_142	O=C1OCC(CC)O1	C4437858
MACCS_142	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_142	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_142	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_142	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_142	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_142	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_142	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_142	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_142	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_142	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_142	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_142	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_142	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_142	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_142	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_142	Oc1ccccc1CN(C)C	C120650
MACCS_142	O=C1CCC(O1)CC	C695067
MACCS_142	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_142	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_142	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_142	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_142	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_142	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_142	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_142	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_142	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_142	O=c1ccoc(CC)c1O	C4940118
MACCS_142	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_142	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_142	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_142	N#Cc1c(O)cccc1	C611201
MACCS_142	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_142	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_142	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_142	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_142	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_142	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_142	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_142	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_142	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_142	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_142	OC1CC(C)(C)CC(C)C1	C116029
MACCS_142	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_142	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_142	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_142	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_142	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_142	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_142	Oc1cc(C(C)C)ccc1C	C499752
MACCS_142	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_142	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_142	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_142	Oc1c(OCC)cccc1	C94713
MACCS_142	Oc1ccc(C(C)C)cc1	C99898
MACCS_142	COc1ccc(CCC)cc1	C104450
MACCS_142	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_142	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_142	Oc1c(C(C)C)cccc1	C88697
MACCS_142	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_142	Oc1cc(C(C)C)ccc1	C618451
MACCS_142	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_142	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_142	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_142	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_142	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_142	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_142	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_142	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_142	Oc1ccc(CCCC)cc1	C1638228
MACCS_142	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_142	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_142	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_142	O=C1OC(CCC)CC1	C105215
MACCS_142	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_142	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_142	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_142	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_142	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_142	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_142	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_142	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_142	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_142	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_142	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_142	O=C1CCC(CCC)CC1	C40649363
MACCS_142	Nc1ccc(cc1)OCCCC	C4344552
MACCS_142	OC1CCC(CCCC)CC1	C70568604
MACCS_142	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_142	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_142	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_142	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_142	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_142	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_142	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_142	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_142	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_142	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_142	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_142	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_142	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_142	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_142	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_142	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_142	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_142	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_142	Oc1c(cccc1)c1ccccc1	C90437
MACCS_142	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_142	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_142	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_142	c1ccccc1OCCO	C122996
MACCS_142	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_142	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_142	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_142	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_142	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_142	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_142	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_142	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_142	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_142	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_142	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_142	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_142	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_142	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_142	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_142	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_142	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_142	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_142	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_142	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_142	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_142	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_142	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_142	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_142	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_142	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_142	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_142	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_142	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_142	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_142	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_142	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_142	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_142	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_142	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_142	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_142	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_142	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_142	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_142	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_142	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_142	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_142	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_142	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_142	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_142	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_142	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_142	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_142	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_142	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_142	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_142	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_142	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_142	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_142	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_142	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_142	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_142	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_142	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_142	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_142	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_142	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_142	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_142	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_142	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_142	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_142	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_142	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_142	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_142	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_142	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_142	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_142	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_142	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_142	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_142	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_142	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_142	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_142	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_142	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_142	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_142	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_142	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_142	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_142	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_142	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_142	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_142	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_142	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_142	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_142	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_142	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_142	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_142	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_142	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_142	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_142	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_142	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_142	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_142	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_142	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_142	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_142	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_142	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_142	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_142	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_142	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_142	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_142	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_142	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_142	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_142	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_142	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_142	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_142	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_142	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_142	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_142	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_142	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_142	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_142	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_142	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_142	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_142	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_142	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_142	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_142	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_142	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_142	O=C1CCCO1	C96480
MACCS_142	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_142	O=C1CCCCCN1	C105602
MACCS_142	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_142	Oc1c(cccc1)O	C120809
MACCS_142	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_142	O=c1oc2c(cccc2)cc1	C91645
MACCS_142	Nc1cc(ccc1OC)C	C120718
MACCS_142	Clc1c(ccc(c1)Cl)O	C120832
MACCS_142	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_142	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_142	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_142	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_142	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_142	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_142	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_142	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_142	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_142	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_142	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_142	Oc1ccc(cc1)O	C123319
MACCS_142	Oc1cccc2cccnc12	C148243
MACCS_142	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_142	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_142	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_142	O=C1N(CCC1)C	C872504
MACCS_142	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_142	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_142	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_142	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_142	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_142	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_142	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_142	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_142	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_142	Oc1ccccc1	C108952
MACCS_142	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_142	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_142	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_142	O=S1(=O)CCCO1	C1120714
MACCS_142	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_142	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_142	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_142	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_142	Oc1cc(ccc1)O	C108463
MACCS_142	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_142	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_142	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_142	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_142	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_142	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_142	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_142	O=C1N(C=C)CCC1	C88120
MACCS_142	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_142	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_142	Oc1ccccc1Cl	C95578
MACCS_142	Oc1cc(C)c(Cl)cc1	C59507
MACCS_142	CC1(C)NC(=O)NC1=O	C77714
MACCS_142	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_142	Oc1c(C)cccc1	C95487
MACCS_142	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_142	Oc1c(C)cc(C)cc1	C105679
MACCS_142	Oc1ccc(C)cc1	C106445
MACCS_142	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_142	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_142	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_142	Oc1c(C)cc(C)cc1C	C527606
MACCS_142	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_142	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_142	Oc1c(C)c(C)ccc1C	C2416946
MACCS_142	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_142	c1(c(O)cccc1)C(CC)C	C89725
MACCS_142	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_142	Oc1ccc(C=CC)cc1OC	C97541
MACCS_142	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_142	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_142	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_142	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_142	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_142	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_142	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_142	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_142	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_142	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_142	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_142	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_142	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_142	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_142	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_142	Nc1c(OC)cccc1	C90040
MACCS_142	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_142	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_142	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_142	Oc1cc(C)c(C)cc1	C95658
MACCS_142	Oc1c(cccc1C)C	C576261
MACCS_142	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_142	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_142	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_142	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_142	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_142	Oc1c(ccc(N)c1)C	C2835952
MACCS_142	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_142	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_142	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_142	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_142	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_142	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_142	Oc1c(ccc(C)c1)C	C95874
MACCS_142	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_142	o1c(C)c(O)c(=O)cc1	C118718
MACCS_142	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_142	O=C(OC)c1c(O)cccc1	C119368
MACCS_142	O=c1ccsn1CCCCCCCC	C26530201
MACCS_142	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_142	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_142	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_142	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_142	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_142	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_142	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_142	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_142	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_142	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_142	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_142	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_142	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_142	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_142	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_142	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_142	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_142	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_142	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_142	O=c1[nH]sc2c1cccc2	C2634335
MACCS_142	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_142	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_142	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_142	O=c1n(C)sc(Cl)c1	C26172554
MACCS_142	O=C1CCC(O1)CCCCCCC	C104676
MACCS_142	Oc1cc(C)ccc1C(C)C	C89838
MACCS_142	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_142	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_142	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_142	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_142	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_142	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_142	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_142	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_142	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_142	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_142	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_142	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_142	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_142	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_142	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_142	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_142	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_142	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_142	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_142	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_142	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_142	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_142	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_142	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_142	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_142	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_142	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_142	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_142	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_142	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_142	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_142	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_142	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_142	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_142	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_142	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_142	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_142	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_142	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_142	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_142	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_142	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_142	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_142	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_142	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_142	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_142	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_142	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_142	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_142	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_142	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_142	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_142	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_142	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_142	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_142	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_142	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_142	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_142	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_142	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_142	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_142	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_142	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_142	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_142	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_142	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_142	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_142	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_142	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_142	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_142	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_142	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_142	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_142	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_142	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_142	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_142	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_142	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_142	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_142	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_142	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_142	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_142	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_142	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_142	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_142	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_142	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_142	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_142	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_142	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_142	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_142	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_142	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_142	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_142	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_142	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_142	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_142	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_142	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_142	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_142	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_142	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_142	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_142	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_142	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_142	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_142	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_142	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_142	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_142	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_142	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_142	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_142	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_142	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_142	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_142	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_142	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_142	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_142	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_142	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_142	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_142	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_142	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_142	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_142	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_142	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_142	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_142	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_142	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_142	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_142	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_142	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_142	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_142	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_142	CC1CC(=O)O1	C3068880
MACCS_142	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_142	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_142	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_142	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_142	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_142	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_142	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_142	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_142	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_142	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_142	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_142	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_142	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_142	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_142	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_142	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_142	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_142	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_142	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_142	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_142	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_142	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_142	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_142	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_142	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_142	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_142	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_142	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_142	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_142	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_142	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_142	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_142	Nc1ccc(OC)cc1	C104949
MACCS_142	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_142	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_142	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_142	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_142	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_142	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_142	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_142	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_142	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_142	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_142	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_142	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_142	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_142	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_142	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_142	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_142	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_142	O=c1cc(C)o[nH]1	C10004441
MACCS_142	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_142	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_142	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_142	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_142	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_142	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_142	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_142	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_142	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_142	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_142	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_142	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_142	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_142	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_142	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_142	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_142	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_142	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_142	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_142	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_142	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_142	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_142	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_142	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_142	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_142	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_142	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_142	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_142	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_142	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_142	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_142	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_142	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_142	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_142	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_142	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_142	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_142	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_142	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_142	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_142	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_142	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_142	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_142	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_142	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_142	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_142	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_142	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_142	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_142	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_142	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_142	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_142	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_142	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_142	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_142	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_142	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_142	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_142	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_142	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_142	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_142	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_142	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_142	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_142	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_142	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_142	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_142	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_142	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_142	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_142	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_142	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_142	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_142	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_142	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_142	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_142	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_142	O=COCc1ccc(OC)cc1	C122918
MACCS_142	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_143	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_143	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_143	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_143	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_143	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_143	Clc1c(ccc(c1)N)C	C95749
MACCS_143	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_143	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_143	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_143	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_143	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_143	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_143	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_143	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_143	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_143	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_143	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_143	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_143	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_143	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_143	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_143	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_143	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_143	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_143	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_143	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_143	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_143	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_143	Nc1ccccc1C.Cl	C636215
MACCS_143	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_143	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_143	c1(O)ccccc1C(=O)N	C65452
MACCS_143	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_143	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_143	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_143	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_143	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_143	O=Cc1ccccc1O	C90028
MACCS_143	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_143	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_143	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_143	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_143	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_143	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_143	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_143	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_143	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_143	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_143	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_143	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_143	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_143	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_143	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_143	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_143	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_143	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_143	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_143	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_143	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_143	c1(c(CC)cccc1)O	C90006
MACCS_143	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_143	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_143	c1cccc(OC)c1O	C90051
MACCS_143	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_143	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_143	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_143	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_143	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_143	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_143	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_143	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_143	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_143	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_143	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_143	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_143	Oc1cc(Cl)ccc1Cl	C583788
MACCS_143	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_143	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_143	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_143	Cc1c(C)cccc1O	C526750
MACCS_143	C=Cc1ccccc1C=C	C1321740
MACCS_143	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_143	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_143	O=C(OCC)c1c(N)cccc1	C87252
MACCS_143	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_143	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_143	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_143	c12ccccc1CCCC2	C119642
MACCS_143	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_143	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_143	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_143	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_143	O=C(O)c1ccccc1O	C69727
MACCS_143	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_143	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_143	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_143	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_143	Nc1cccc(C)c1C	C1300738
MACCS_143	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_143	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_143	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_143	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_143	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_143	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_143	Nc1c(C)cccc1CC	C24549062
MACCS_143	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_143	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_143	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_143	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_143	Cc1cc(C)c(C)cc1C	C95932
MACCS_143	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_143	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_143	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_143	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_143	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_143	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_143	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_143	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_143	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_143	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_143	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_143	OCn1nc(C)cc1C	C85264331
MACCS_143	Clc1c(Cl)ssc1=O	C1192525
MACCS_143	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_143	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_143	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_143	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_143	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_143	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_143	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_143	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_143	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_143	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_143	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_143	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_143	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_143	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_143	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_143	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_143	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_143	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_143	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_143	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_143	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_143	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_143	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_143	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_143	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_143	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_143	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_143	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_143	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_143	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_143	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_143	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_143	O=C(c1ccccc1O)C	C118934
MACCS_143	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_143	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_143	O=C(OCC)c1c(C)cccc1	C87241
MACCS_143	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_143	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_143	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_143	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_143	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_143	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_143	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_143	Oc1ccccc1CN(C)C	C120650
MACCS_143	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_143	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_143	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_143	O=c1ccoc(CC)c1O	C4940118
MACCS_143	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_143	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_143	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_143	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_143	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_143	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_143	N#Cc1c(O)cccc1	C611201
MACCS_143	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_143	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_143	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_143	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_143	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_143	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_143	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_143	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_143	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_143	c12ccccc1CC=C2	C95136
MACCS_143	Oc1cc(C(C)C)ccc1C	C499752
MACCS_143	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_143	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_143	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_143	Oc1c(OCC)cccc1	C94713
MACCS_143	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_143	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_143	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_143	Oc1c(C(C)C)cccc1	C88697
MACCS_143	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_143	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_143	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_143	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_143	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_143	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_143	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_143	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_143	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_143	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_143	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_143	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_143	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_143	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_143	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_143	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_143	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_143	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_143	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_143	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_143	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_143	O=C(OC)c1c(C)cccc1	C89714
MACCS_143	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_143	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_143	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_143	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_143	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_143	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_143	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_143	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_143	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_143	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_143	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_143	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_143	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_143	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_143	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_143	Oc1c(cccc1)c1ccccc1	C90437
MACCS_143	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_143	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_143	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_143	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_143	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_143	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_143	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_143	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_143	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_143	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_143	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_143	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_143	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_143	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_143	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_143	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_143	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_143	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_143	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_143	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_143	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_143	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_143	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_143	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_143	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_143	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_143	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_143	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_143	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_143	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_143	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_143	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_143	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_143	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_143	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_143	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_143	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_143	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_143	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_143	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_143	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_143	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_143	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_143	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_143	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_143	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_143	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_143	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_143	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_143	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_143	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_143	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_143	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_143	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_143	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_143	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_143	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_143	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_143	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_143	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_143	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_143	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_143	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_143	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_143	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_143	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_143	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_143	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_143	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_143	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_143	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_143	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_143	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_143	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_143	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_143	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_143	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_143	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_143	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_143	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_143	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_143	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_143	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_143	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_143	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_143	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_143	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_143	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_143	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_143	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_143	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_143	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_143	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_143	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_143	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_143	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_143	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_143	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_143	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_143	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_143	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_143	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_143	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_143	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_143	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_143	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_143	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_143	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_143	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_143	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_143	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_143	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_143	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_143	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_143	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_143	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_143	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_143	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_143	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_143	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_143	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_143	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_143	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_143	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_143	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_143	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_143	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_143	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_143	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_143	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_143	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_143	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_143	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_143	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_143	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_143	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_143	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_143	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_143	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_143	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_143	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_143	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_143	Oc1c(cccc1)O	C120809
MACCS_143	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_143	Nc1c(ccc(c1)Cl)N	C95830
MACCS_143	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_143	Nc1cc(ccc1OC)C	C120718
MACCS_143	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_143	Nc1c(ccc(c1)N)C	C95807
MACCS_143	Clc1c(cccc1)Cl	C95501
MACCS_143	Clc1c(ccc(c1)Cl)O	C120832
MACCS_143	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_143	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_143	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_143	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_143	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_143	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_143	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_143	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_143	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_143	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_143	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_143	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_143	[nH]1c(=S)n(cc1)C	C60560
MACCS_143	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_143	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_143	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_143	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_143	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_143	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_143	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_143	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_143	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_143	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_143	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_143	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_143	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_143	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_143	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_143	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_143	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_143	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_143	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_143	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_143	Cc1c(ccc(c1)C)C	C95636
MACCS_143	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_143	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_143	Oc1ccccc1Cl	C95578
MACCS_143	Oc1cc(C)c(Cl)cc1	C59507
MACCS_143	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_143	Oc1c(C)cccc1	C95487
MACCS_143	Oc1c(C)cc(C)cc1	C105679
MACCS_143	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_143	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_143	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_143	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_143	Oc1c(C)cc(C)cc1C	C527606
MACCS_143	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_143	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_143	Oc1c(C)c(C)ccc1C	C2416946
MACCS_143	c1(c(O)cccc1)C(CC)C	C89725
MACCS_143	Oc1ccc(C=CC)cc1OC	C97541
MACCS_143	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_143	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_143	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_143	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_143	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_143	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_143	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_143	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_143	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_143	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_143	Nc1c(OC)cccc1	C90040
MACCS_143	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
MACCS_143	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_143	Cc1ccccc1Cl	C95498
MACCS_143	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_143	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_143	Oc1cc(C)c(C)cc1	C95658
MACCS_143	Oc1c(cccc1C)C	C576261
MACCS_143	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_143	c1cccc2c1c1cccc3cccc2c13	C206440
MACCS_143	c1cccc2Cc3ccccc3c12	C86737
MACCS_143	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_143	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_143	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_143	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_143	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_143	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_143	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_143	Oc1c(ccc(N)c1)C	C2835952
MACCS_143	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_143	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_143	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_143	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_143	Nc1cc(C)ccc1N	C496720
MACCS_143	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_143	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_143	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_143	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_143	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_143	Oc1c(ccc(C)c1)C	C95874
MACCS_143	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_143	o1c(C)c(O)c(=O)cc1	C118718
MACCS_143	O=C(OC)c1c(N)cccc1	C134203
MACCS_143	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_143	O=C(OC)c1c(O)cccc1	C119368
MACCS_143	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_143	O=c1ccsn1CCCCCCCC	C26530201
MACCS_143	Nc1c(N)cccc1	C95545
MACCS_143	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_143	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_143	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_143	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_143	Nc1c(cccc1)C	C95534
MACCS_143	Clc1c(Cl)cccc1Cl	C87616
MACCS_143	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_143	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_143	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_143	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_143	Nc1c(cccc1C)C	C87627
MACCS_143	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_143	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_143	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_143	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_143	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_143	Nc1c(CC)cccc1CC	C579668
MACCS_143	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_143	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_143	Nc1cccc(C)c1N	C2687254
MACCS_143	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_143	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_143	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_143	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_143	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_143	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_143	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_143	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_143	O=Cc1ccccc1C=O	C643798
MACCS_143	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_143	O=c1n(C)sc(Cl)c1	C26172554
MACCS_143	Oc1cc(C)ccc1C(C)C	C89838
MACCS_143	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_143	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_143	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_143	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_143	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_143	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_143	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_143	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_143	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_143	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_143	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_143	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_143	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_143	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_143	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_143	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_143	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_143	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_143	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_143	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_143	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_143	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_143	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_143	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_143	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_143	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_143	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_143	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_143	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_143	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_143	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_143	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_143	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_143	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_143	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_143	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_143	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_143	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_143	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_143	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_143	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_143	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_143	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_143	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_143	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_143	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_143	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_143	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_143	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_143	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_143	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_143	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_143	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_143	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_143	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_143	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_143	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_143	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_143	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_143	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_143	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_143	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_143	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_143	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_143	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_143	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_143	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_143	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_143	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_143	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_143	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_143	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_143	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_143	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_143	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_143	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_143	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_143	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_143	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_143	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_143	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_143	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_143	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_143	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_143	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_143	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_143	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_143	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_143	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_143	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_143	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_143	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_143	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_143	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_143	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_143	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_143	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_143	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_143	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_143	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_143	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_143	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_143	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_143	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_143	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_143	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_143	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_143	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_143	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_143	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_143	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_143	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_143	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_143	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_143	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_143	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_143	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_143	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_143	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_143	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_143	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_143	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_143	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_143	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_143	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_143	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_143	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_143	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_143	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_143	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_143	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_143	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_143	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_143	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_143	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_143	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_143	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_143	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_143	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_143	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_143	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_143	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_143	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_143	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_143	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_143	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_143	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_143	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_143	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_143	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_143	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_143	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_143	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_143	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_143	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_143	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_143	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_143	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_143	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_143	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_143	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_143	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_143	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_143	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_143	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_143	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_143	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_143	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_143	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_143	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_143	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_143	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_143	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_143	Brc1ccccc1c1ccccc1	C2052075
MACCS_143	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_143	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_143	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_143	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_143	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_143	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_143	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_143	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_143	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_143	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_143	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_143	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_143	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_143	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_143	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_143	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_143	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_143	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_143	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_143	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_143	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_143	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_143	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_143	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_143	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_143	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_143	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_143	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_143	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_143	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_143	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_143	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_143	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_143	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_143	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_143	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_143	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_143	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_143	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_143	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_143	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_143	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_143	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_143	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_143	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_143	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_143	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_143	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_143	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_143	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_143	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_143	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_143	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_143	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_143	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_143	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_143	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_143	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_143	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_143	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_143	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_143	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_143	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_143	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_143	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_143	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_143	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_143	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_143	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_143	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_143	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_143	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_143	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_143	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_143	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_143	CC1COc2ccccc2N1	C32329207
MACCS_143	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_143	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_143	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_143	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_143	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_143	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_143	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_143	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_143	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_143	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_143	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_143	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_143	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_143	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_143	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_143	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_143	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_144	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_144	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_144	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_144	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_144	N1CCCCCC1	C111499
MACCS_144	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_144	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_144	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_144	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_144	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_144	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_144	O=C(SCC)N1CCCCCC1	C2212671
MACCS_144	O=C1CCCCCN1	C105602
MACCS_144	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_144	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_144	O1C2C1CCC(C2)C1CO1	C106876
MACCS_144	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_144	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_144	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_144	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_144	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_144	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_144	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_144	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_144	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_144	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_144	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_144	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_144	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_144	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_144	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_144	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_144	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_144	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_144	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_144	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_144	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_144	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_144	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_144	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_144	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_144	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_144	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_145	CC(=O)N	C60355
MACCS_145	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_145	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_145	C=CCO	C107186
MACCS_145	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_145	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_145	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_145	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_145	CC(=O)OCc1ccccc1	C140114
MACCS_145	CC(CNCC(C)O)O	C110974
MACCS_145	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_145	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_145	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_145	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_145	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_145	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_145	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_145	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_145	O=CCCl	C107200
MACCS_145	ClCOC	C107302
MACCS_145	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_145	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_145	O=C1CCCCC1	C108941
MACCS_145	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_145	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_145	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_145	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_145	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_145	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_145	CN(C)C(=O)C	C127195
MACCS_145	CN(CCO)C	C108010
MACCS_145	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_145	C=CCc1ccc(cc1)OC	C140670
MACCS_145	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_145	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_145	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_145	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_145	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_145	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_145	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_145	OC(CO)CCl	C96242
MACCS_145	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_145	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_145	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_145	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_145	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_145	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_145	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_145	COc1ccc(cc1)O	C150765
MACCS_145	NC(=O)OC	C598550
MACCS_145	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_145	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_145	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_145	NC(=O)c1cccnc1	C98920
MACCS_145	OC(=O)c1cccnc1	C59676
MACCS_145	O=[N+](CC)[O-]	C79243
MACCS_145	CN(C(=O)N)N=O	C684935
MACCS_145	CN(N=O)C	C62759
MACCS_145	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_145	O=NN1CCCC1	C930552
MACCS_145	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_145	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_145	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_145	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_145	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_145	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_145	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_145	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_145	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_145	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_145	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_145	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_145	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_145	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_145	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_145	O=P(OC)(OC)OC	C512561
MACCS_145	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_145	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_145	O=CCc1ccccc1	C122781
MACCS_145	O=C(O)/C=C\C(=O)O	C110167
MACCS_145	OC(=O)/C=C/C(=O)O	C110178
MACCS_145	OCCOCCOCCOCCCC	C143226
MACCS_145	CCCCCCCCCC=O	C112312
MACCS_145	CCCCCCCCCCCC(=O)O	C143077
MACCS_145	O=CCCCCCC	C111717
MACCS_145	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_145	CCCCCCCCC=O	C124196
MACCS_145	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_145	OC(=O)CCCC	C109524
MACCS_145	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_145	c1(O)ccccc1C(=O)N	C65452
MACCS_145	CS(=O)C	C67685
MACCS_145	OCCC	C71238
MACCS_145	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_145	OC(C)CN	C78966
MACCS_145	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_145	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_145	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_145	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_145	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_145	O=Cc1ccccc1O	C90028
MACCS_145	Oc1cccc2ccccc12	C90153
MACCS_145	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_145	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_145	ON=C1CCCCC1	C100641
MACCS_145	c1ccccc1Oc1ccccc1	C101848
MACCS_145	OCCN1CCNCC1	C103764
MACCS_145	CCOC(=O)CC(=O)OCC	C105533
MACCS_145	Oc1ccc(Cl)cc1	C106489
MACCS_145	CC(O)CC(C)(C)O	C107415
MACCS_145	CCCC(=O)C	C107879
MACCS_145	C1CCCCC1O	C108930
MACCS_145	CCCCCC(=O)C	C110430
MACCS_145	C(O)C#CCO	C110656
MACCS_145	CCNCCO	C110736
MACCS_145	CCCCCCO	C111273
MACCS_145	CCCCCCCO	C111706
MACCS_145	CCCCCCCCCC(=O)C	C112129
MACCS_145	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_145	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_145	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_145	Oc1ccc(CC)cc1	C123079
MACCS_145	CCCCCC(=O)OCC	C123660
MACCS_145	CCCCCCCCCO	C143088
MACCS_145	COc1ccc(OC)cc1	C150787
MACCS_145	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_145	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_145	O=C(OC(C)(C)C)C	C540885
MACCS_145	Oc1ccc(CCC)cc1	C645567
MACCS_145	CCCCCCC1OC(=O)CC1	C706149
MACCS_145	C=CC(=O)OCCO	C818611
MACCS_145	CC/C=C\CCO	C928961
MACCS_145	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_145	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_145	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_145	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_145	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_145	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_145	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_145	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_145	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_145	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_145	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_145	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_145	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_145	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_145	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_145	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_145	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_145	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_145	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_145	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_145	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_145	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_145	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_145	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_145	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_145	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_145	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_145	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_145	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_145	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_145	c1(c(CC)cccc1)O	C90006
MACCS_145	c1c(O)cccc1CC	C620177
MACCS_145	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_145	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_145	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_145	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_145	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_145	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_145	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_145	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_145	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_145	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_145	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_145	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_145	c1cccc(OC)c1O	C90051
MACCS_145	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_145	C(=O)(O)C(C)O	C50215
MACCS_145	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_145	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_145	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_145	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_145	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_145	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_145	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_145	C(=O)(O)CCC(=O)O	C110156
MACCS_145	NC(CO)(CO)CO	C77861
MACCS_145	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_145	C[Si](=O)C	C9016006
MACCS_145	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_145	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_145	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_145	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_145	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_145	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_145	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_145	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_145	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_145	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_145	Cc1cc(O)ccc1	C108394
MACCS_145	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_145	OP(=O)(O)O	C7664382
MACCS_145	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_145	CC(O)COC	C107982
MACCS_145	[Na+].[O-]C(=O)CF	C62748
MACCS_145	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_145	O=C(N)N=NC(=O)N	C123773
MACCS_145	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_145	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_145	ON=CCCC	C110690
MACCS_145	OCCCCO	C110634
MACCS_145	O=C(OCCCC)C=C	C141322
MACCS_145	C(OCCCC)C1CO1	C2426086
MACCS_145	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_145	O=C/C=C/c1ccccc1	C14371109
MACCS_145	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_145	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_145	C(C(=O)C)C(C)(C)O	C123422
MACCS_145	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_145	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_145	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_145	Oc1cc(Cl)ccc1Cl	C583788
MACCS_145	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_145	O=C(CC(C)C)CC(C)C	C108838
MACCS_145	N(C)(C)c1cccc(O)c1	C99070
MACCS_145	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_145	OCNC(=O)NCO	C140954
MACCS_145	Cc1c(C)cccc1O	C526750
MACCS_145	Cc1cc(C)cc(O)c1	C108689
MACCS_145	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_145	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_145	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_145	O=C(OCC)c1c(N)cccc1	C87252
MACCS_145	C(CC)(C=O)CCCC	C123057
MACCS_145	OCC(C(O)CCC)CC	C94962
MACCS_145	CCC(=CCCC)C=O	C645625
MACCS_145	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_145	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_145	c1c(CO)occ1	C98000
MACCS_145	O=CCCCC=O	C111308
MACCS_145	C(=O)(O)CO	C79141
MACCS_145	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_145	C(C)(C)(O)C#N	C75865
MACCS_145	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_145	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_145	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_145	O(C(C)C)C(=O)C	C108214
MACCS_145	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_145	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_145	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_145	O=C(C)C=Cc1ccccc1	C122576
MACCS_145	C1COCCN1	C110918
MACCS_145	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_145	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_145	C(=O)(O)C(=O)O	C144627
MACCS_145	O(c1ccc(N)cc1)CC	C156434
MACCS_145	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_145	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_145	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_145	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_145	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_145	O=C(O)CS	C68111
MACCS_145	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_145	O=P(OCC)(OCC)OCC	C78400
MACCS_145	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_145	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_145	ClCCOP(OCCCl)OCCCl	C140089
MACCS_145	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_145	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_145	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_145	OCCc1ccccc1	C60128
MACCS_145	O=C(O)c1ccccc1O	C69727
MACCS_145	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_145	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_145	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_145	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_145	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_145	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_145	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_145	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_145	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_145	O=C(O)c1ccc(O)cc1	C99967
MACCS_145	O=C(C)OCC(CC)CCCC	C103093
MACCS_145	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_145	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_145	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_145	O=C1OCC(C)O1	C108327
MACCS_145	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_145	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_145	O=C(OC)CCCCCCCCC	C110429
MACCS_145	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_145	O=C(C)OCCOC(=O)C	C111557
MACCS_145	O=C(C)OCCOCCCC	C112072
MACCS_145	OCCOCCOCCOC	C112356
MACCS_145	OCCOCCOCCOCCO	C112607
MACCS_145	OCC(CO)(CO)CO	C115775
MACCS_145	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_145	O=Cc1ccc(OC)cc1	C123115
MACCS_145	OC(CCCCCC)C	C123966
MACCS_145	OCC(N)(C)C	C124685
MACCS_145	OCC(C)(C)CO	C126307
MACCS_145	Oc1ccc2ccccc2c1	C135193
MACCS_145	[O-]c1ccccc1.[Na+]	C139026
MACCS_145	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_145	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_145	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_145	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_145	O=C1NCCC1	C616455
MACCS_145	O=COC(C)C	C625558
MACCS_145	OC(C)COc1ccccc1	C770354
MACCS_145	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_145	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_145	O=C(N)[O-].[NH4+]	C1111780
MACCS_145	O=C(N(C)C)CCCCCCC	C1118929
MACCS_145	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_145	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_145	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_145	OCCOCCOCCOCCOCCCC	C1559348
MACCS_145	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_145	OC1CCCCCCCCCCC1	C1724396
MACCS_145	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_145	O=C(N(C)C)CC(=O)C	C2044646
MACCS_145	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_145	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_145	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_145	OCCOCCC	C2807309
MACCS_145	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_145	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_145	O=C(CCl)[O-].[Na+]	C3926623
MACCS_145	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_145	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_145	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_145	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_145	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_145	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_145	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_145	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_145	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_145	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_145	CC(CO)O	C25322694
MACCS_145	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_145	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_145	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_145	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_145	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_145	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_145	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_145	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_145	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_145	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_145	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_145	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_145	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_145	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_145	OC(CCCC(C)C)(C)CC	C78693
MACCS_145	OCC1OCCC1	C97994
MACCS_145	O=C(c1ccc(O)cc1)C	C99934
MACCS_145	CN1CCOCC1	C109024
MACCS_145	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_145	O=C1CCCC1	C120923
MACCS_145	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_145	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_145	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_145	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_145	O=C(C=C(C)C)C	C141797
MACCS_145	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_145	OC(C)COCCC	C1569013
MACCS_145	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_145	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_145	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_145	OCC(CCC)CCCCC	C10042598
MACCS_145	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_145	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_145	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_145	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_145	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_145	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_145	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_145	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_145	OC1CC(CCC1C(C)C)C	C1490046
MACCS_145	OCCC(C)CC(C)(C)C	C3452979
MACCS_145	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_145	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_145	OC(OCCCC)CC	C29387868
MACCS_145	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_145	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_145	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_145	O=C1NC2NC(=O)NC2N1	C496468
MACCS_145	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_145	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_145	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_145	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_145	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_145	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_145	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_145	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_145	OCn1nc(C)cc1C	C85264331
MACCS_145	OCCSCCCCCCCC	C3547339
MACCS_145	Clc1c(Cl)ssc1=O	C1192525
MACCS_145	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_145	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_145	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_145	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_145	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_145	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_145	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_145	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_145	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_145	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_145	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_145	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_145	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_145	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_145	OC1CCCC1	C96413
MACCS_145	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_145	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_145	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_145	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_145	O=S(=O)(N)O	C5329146
MACCS_145	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_145	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_145	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_145	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_145	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_145	O=C1OC(CCCCC)CC1	C104610
MACCS_145	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_145	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_145	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_145	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_145	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_145	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_145	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_145	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_145	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_145	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_145	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_145	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_145	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_145	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_145	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_145	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_145	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_145	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_145	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_145	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_145	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_145	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_145	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_145	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_145	OC(CCCCC)C=C	C3391864
MACCS_145	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_145	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_145	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_145	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_145	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_145	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_145	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_145	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_145	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_145	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_145	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_145	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_145	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_145	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_145	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_145	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_145	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_145	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_145	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_145	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_145	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_145	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_145	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_145	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_145	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_145	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_145	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_145	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_145	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_145	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_145	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_145	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_145	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_145	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_145	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_145	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_145	O=C(CC)OCC	C105373
MACCS_145	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_145	O=C(c1ccccc1O)C	C118934
MACCS_145	O=C1OCC(CC)O1	C4437858
MACCS_145	O=C(CBr)OCc1ccccc1	C5437456
MACCS_145	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_145	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_145	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_145	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_145	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_145	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_145	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_145	O=C(OCC)c1c(C)cccc1	C87241
MACCS_145	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_145	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_145	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_145	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_145	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_145	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_145	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_145	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_145	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_145	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_145	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_145	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_145	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_145	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_145	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_145	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_145	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_145	CC(O)COCC	C1569024
MACCS_145	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_145	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_145	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_145	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_145	Oc1ccccc1CN(C)C	C120650
MACCS_145	O=C1CCC(O1)CC	C695067
MACCS_145	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_145	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_145	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_145	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_145	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_145	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_145	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_145	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_145	O=C(Nc1ccccc1)CCl	C587655
MACCS_145	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_145	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_145	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_145	OC(CCCC(C)C)(C)C	C13254347
MACCS_145	O=C/C=C/CCC	C6728263
MACCS_145	O1C=CCCC1	C110872
MACCS_145	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_145	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_145	OC(CC(C)C)(C)C#C	C107540
MACCS_145	O=C(C)OCC/C=C\CC	C3681718
MACCS_145	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_145	OCC=Cc1ccccc1	C104541
MACCS_145	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_145	O=CCC/C=C\CCCCC	C21662099
MACCS_145	O=c1ccoc(CC)c1O	C4940118
MACCS_145	NCCCN1CCOCC1	C123002
MACCS_145	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_145	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_145	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_145	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_145	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_145	O=C(CCC)OCCCCC	C540181
MACCS_145	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_145	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_145	O=C(C)OC(C)c1ccccc1	C93925
MACCS_145	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_145	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_145	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_145	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_145	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_145	N#Cc1c(O)cccc1	C611201
MACCS_145	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_145	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_145	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_145	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_145	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_145	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_145	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_145	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_145	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_145	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_145	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_145	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_145	OC1CC(C)(C)CC(C)C1	C116029
MACCS_145	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_145	OP(OCC)OCC	C762049
MACCS_145	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_145	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_145	OCCOCC(CC)CCCC	C1559359
MACCS_145	O=C(CC)CCCCC	C106683
MACCS_145	OCCN(CC)CCO	C139877
MACCS_145	CCOC(OCC)OCC	C122510
MACCS_145	CCO[Si](OCC)(OCC)CC	C78079
MACCS_145	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_145	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_145	O=C(CF)O	C144490
MACCS_145	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_145	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_145	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_145	O=C(CCC)OCCCCCCC	C5870939
MACCS_145	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_145	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_145	Oc1cc(C(C)C)ccc1C	C499752
MACCS_145	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_145	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_145	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_145	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_145	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_145	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_145	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_145	OC(C)C(=O)OCCCC	C138227
MACCS_145	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_145	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_145	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_145	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_145	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_145	Oc1c(OCC)cccc1	C94713
MACCS_145	Oc1ccc(C(C)C)cc1	C99898
MACCS_145	COc1ccc(CCC)cc1	C104450
MACCS_145	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_145	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_145	CO[Si](C)(C)OC	C1112396
MACCS_145	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_145	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_145	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_145	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_145	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_145	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_145	OC(CO)c1ccccc1	C93561
MACCS_145	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_145	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_145	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_145	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_145	CCO[Si](OCC)(C)OCC	C2031676
MACCS_145	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_145	CO[Si](OC)(CCC)OC	C1067250
MACCS_145	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_145	O=C(N)Nc1ccccc1	C64108
MACCS_145	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_145	O=C(C)OCCCCCCCC	C112141
MACCS_145	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_145	Oc1c(C(C)C)cccc1	C88697
MACCS_145	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_145	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_145	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_145	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_145	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_145	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_145	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_145	Oc1cc(C(C)C)ccc1	C618451
MACCS_145	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_145	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_145	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_145	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_145	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_145	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_145	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_145	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_145	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_145	OCC(CCCC)CCCCCC	C3913028
MACCS_145	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_145	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_145	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_145	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_145	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_145	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_145	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_145	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_145	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_145	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_145	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_145	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_145	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_145	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_145	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_145	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_145	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_145	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_145	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_145	Oc1ccc(CCCC)cc1	C1638228
MACCS_145	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_145	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_145	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_145	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_145	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_145	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_145	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_145	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_145	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_145	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_145	OCCOCC(C)OCCO	C9003116
MACCS_145	O=C1OC(CCC)CC1	C105215
MACCS_145	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_145	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_145	C=O	C50000
MACCS_145	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_145	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_145	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_145	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_145	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_145	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_145	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_145	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_145	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_145	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_145	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_145	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_145	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_145	O=C1CCC(CCC)CC1	C40649363
MACCS_145	Nc1ccc(cc1)OCCCC	C4344552
MACCS_145	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_145	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_145	O=C(c1ccccc1)C(C)C	C611701
MACCS_145	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_145	OC1CCC(CCCC)CC1	C70568604
MACCS_145	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_145	O=C(OC)c1c(C)cccc1	C89714
MACCS_145	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_145	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_145	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_145	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_145	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_145	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_145	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_145	OB(O)O	C10043353
MACCS_145	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_145	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_145	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_145	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_145	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_145	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_145	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_145	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_145	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_145	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_145	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_145	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_145	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_145	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_145	C[As](=O)(C)O	C75605
MACCS_145	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_145	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_145	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_145	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_145	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_145	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_145	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_145	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_145	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_145	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_145	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_145	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_145	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_145	Oc1c(cccc1)c1ccccc1	C90437
MACCS_145	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_145	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_145	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_145	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_145	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_145	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_145	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_145	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_145	c1ccccc1OCCO	C122996
MACCS_145	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_145	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_145	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_145	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_145	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_145	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_145	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_145	CSC(=NOC(=O)NC)C	C16752775
MACCS_145	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_145	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_145	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_145	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_145	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_145	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_145	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_145	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_145	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_145	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_145	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_145	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_145	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_145	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_145	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_145	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_145	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_145	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_145	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_145	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_145	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_145	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_145	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_145	ClCCP(=O)(O)O	C16672870
MACCS_145	CCCN(CCC)C(=O)SCC	C759944
MACCS_145	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_145	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_145	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_145	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_145	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_145	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_145	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_145	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_145	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_145	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_145	NP(=O)(OC)SC	C10265926
MACCS_145	OCCOC	C109864
MACCS_145	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_145	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_145	O=C(SCC)N1CCCCCC1	C2212671
MACCS_145	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_145	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_145	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_145	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_145	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_145	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_145	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_145	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_145	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_145	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_145	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_145	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_145	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_145	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_145	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_145	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_145	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_145	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_145	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_145	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_145	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_145	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_145	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_145	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_145	O=C(NCCCC)OCC#CI	C55406536
MACCS_145	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_145	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_145	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_145	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_145	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_145	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_145	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_145	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_145	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_145	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_145	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_145	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_145	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_145	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_145	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_145	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_145	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_145	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_145	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_145	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_145	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_145	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_145	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_145	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_145	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_145	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_145	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_145	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_145	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_145	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_145	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_145	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_145	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_145	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_145	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_145	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_145	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_145	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_145	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_145	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_145	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_145	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_145	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_145	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_145	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_145	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_145	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_145	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_145	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_145	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_145	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_145	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_145	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_145	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_145	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_145	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_145	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_145	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_145	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_145	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_145	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_145	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_145	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_145	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_145	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_145	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_145	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_145	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_145	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_145	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_145	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_145	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_145	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_145	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_145	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_145	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_145	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_145	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_145	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_145	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_145	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_145	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_145	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_145	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_145	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_145	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_145	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_145	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_145	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_145	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_145	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_145	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_145	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_145	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_145	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_145	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_145	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_145	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_145	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_145	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_145	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_145	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_145	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_145	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_145	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_145	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_145	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_145	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_145	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_145	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_145	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_145	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_145	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_145	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_145	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_145	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_145	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_145	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_145	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_145	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_145	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_145	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_145	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_145	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_145	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_145	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_145	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_145	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_145	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_145	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_145	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_145	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_145	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_145	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_145	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_145	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_145	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_145	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_145	NC(=O)C=C	C79061
MACCS_145	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_145	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_145	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_145	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_145	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_145	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_145	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_145	c1coc2c1cccc2	C271896
MACCS_145	OC(=O)c1ccccc1	C65850
MACCS_145	OCc1ccccc1	C100516
MACCS_145	OCC(CO)(CBr)CBr	C3296900
MACCS_145	ClCCOCCCl	C111444
MACCS_145	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_145	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_145	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_145	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_145	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_145	O=C1CCCO1	C96480
MACCS_145	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_145	O=C1CCCCCN1	C105602
MACCS_145	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_145	Oc1c(cccc1)O	C120809
MACCS_145	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_145	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_145	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_145	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_145	O=C(c1ccccc1)CCl	C532274
MACCS_145	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_145	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_145	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_145	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_145	O=c1oc2c(cccc2)cc1	C91645
MACCS_145	Nc1cc(ccc1OC)C	C120718
MACCS_145	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_145	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_145	OC(=O)C(Cl)Cl	C79436
MACCS_145	Clc1c(ccc(c1)Cl)O	C120832
MACCS_145	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_145	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_145	OCCOCCO	C111466
MACCS_145	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_145	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_145	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_145	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_145	O=C(N(C)C)Cl	C79447
MACCS_145	CN(C=O)C	C68122
MACCS_145	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_145	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_145	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_145	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_145	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_145	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_145	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_145	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_145	C(CO)O	C107211
MACCS_145	O1C2C1CCC(C2)C1CO1	C106876
MACCS_145	CCC(CCCC)CO	C104767
MACCS_145	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_145	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_145	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_145	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_145	O=Cc1ccco1	C98011
MACCS_145	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_145	OCC(O)CO	C56815
MACCS_145	OCC1CO1	C556525
MACCS_145	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_145	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_145	Oc1ccc(cc1)O	C123319
MACCS_145	Oc1cccc2cccnc12	C148243
MACCS_145	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_145	O=C(c1ccncc1)NN	C54853
MACCS_145	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_145	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_145	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_145	CS(=O)(=O)OC	C66273
MACCS_145	O=C1N(CCC1)C	C872504
MACCS_145	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_145	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_145	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_145	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_145	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_145	O=N[O-].[Na+]	C7632000
MACCS_145	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_145	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_145	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_145	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_145	O=[N+](c1ccccc1)[O-]	C98953
MACCS_145	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_145	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_145	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_145	O=NN(CCCC)CCCC	C924163
MACCS_145	CCN(CC)N=O	C55185
MACCS_145	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_145	O=NN(CCC)CCC	C621647
MACCS_145	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_145	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_145	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_145	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_145	Oc1ccccc1	C108952
MACCS_145	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_145	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_145	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_145	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_145	O=S1(=O)CCCO1	C1120714
MACCS_145	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_145	CC(CO)O	C57556
MACCS_145	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_145	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_145	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_145	Oc1cc(ccc1)O	C108463
MACCS_145	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_145	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_145	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_145	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_145	OC(=O)C=CC=CC	C110441
MACCS_145	C1C(c2ccccc2)O1	C96093
MACCS_145	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_145	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_145	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_145	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_145	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_145	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_145	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_145	OCCN(CCO)CCO	C102716
MACCS_145	OCCOCCOCCO	C112276
MACCS_145	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_145	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_145	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_145	C(=O)(N)N	C57136
MACCS_145	NC(=O)OCC	C51796
MACCS_145	O=C1N(C=C)CCC1	C88120
MACCS_145	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_145	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_145	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_145	OC(=O)CCC	C107926
MACCS_145	CCCCOCCOCCO	C112345
MACCS_145	Oc1ccccc1Cl	C95578
MACCS_145	CCCCCCCCCC(=O)O	C334485
MACCS_145	CC(Cl)(Cl)C(=O)O	C75990
MACCS_145	O=C(O)CCCCCC	C111148
MACCS_145	OC(=O)CCCCC(=O)O	C124049
MACCS_145	CCCCCC(=O)O	C142621
MACCS_145	CCCCCCCCC(=O)O	C112050
MACCS_145	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_145	CCCCCCCC=O	C124130
MACCS_145	CCCCCCCC(=O)O	C124072
MACCS_145	CCCCC=O	C110623
MACCS_145	Oc1cc(C)c(Cl)cc1	C59507
MACCS_145	CC1(C)NC(=O)NC1=O	C77714
MACCS_145	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_145	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_145	Oc1c(C)cccc1	C95487
MACCS_145	CCC(=NO)C	C96297
MACCS_145	c1ccccc1C(=O)C	C98862
MACCS_145	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_145	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_145	CCN(CCO)CC	C100378
MACCS_145	Oc1c(C)cc(C)cc1	C105679
MACCS_145	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_145	Oc1ccc(C)cc1	C106445
MACCS_145	ClCCO	C107073
MACCS_145	CC(=O)OCCOCC	C111159
MACCS_145	OCCNCCO	C111422
MACCS_145	CCCCCCCCO	C111875
MACCS_145	CCOCCOCCO	C111900
MACCS_145	CCCCCCCCCCO	C112301
MACCS_145	CCCCCCCCCCCCCO	C112709
MACCS_145	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_145	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_145	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_145	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_145	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_145	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_145	c1cccc2c3ccccc3oc12	C132649
MACCS_145	OCCN	C141435
MACCS_145	Oc1c(C)cc(C)cc1C	C527606
MACCS_145	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_145	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_145	Oc1c(C)c(C)ccc1C	C2416946
MACCS_145	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_145	c1(c(O)cccc1)C(CC)C	C89725
MACCS_145	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_145	Oc1ccc(C=CC)cc1OC	C97541
MACCS_145	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_145	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_145	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_145	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_145	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_145	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_145	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_145	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_145	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_145	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_145	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_145	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_145	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_145	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_145	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_145	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_145	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_145	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_145	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_145	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_145	C(=O)(O)C(CCC)CCC	C99661
MACCS_145	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_145	O=N(=O)c1ccc(C)cc1	C99990
MACCS_145	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_145	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_145	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_145	Nc1c(OC)cccc1	C90040
MACCS_145	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_145	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_145	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_145	O=S(=O)(OCC)OCC	C64675
MACCS_145	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_145	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_145	O=S(=O)(OC)OC	C77781
MACCS_145	Oc1cc(C)c(C)cc1	C95658
MACCS_145	Oc1c(cccc1C)C	C576261
MACCS_145	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_145	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_145	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_145	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_145	CCOCCO	C110805
MACCS_145	CCCCOCCO	C111762
MACCS_145	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_145	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_145	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_145	O=C=NCCCCCCN=C=O	C822060
MACCS_145	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_145	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_145	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_145	OCCOCCOCCOCC	C112505
MACCS_145	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_145	ON=CC(C)(C)SC	C1646759
MACCS_145	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_145	O=C(O)c1ccc(N)cc1	C150130
MACCS_145	Oc1c(ccc(N)c1)C	C2835952
MACCS_145	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_145	O(CCOC)CCOC	C111966
MACCS_145	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_145	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_145	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_145	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_145	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_145	O(O)C(c1ccccc1)(C)C	C80159
MACCS_145	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_145	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_145	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_145	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_145	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_145	OC(CCl)CCl	C96231
MACCS_145	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_145	O(CCOC)CCO	C111773
MACCS_145	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_145	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_145	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_145	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_145	COC(=O)CCCC(=O)OC	C1119400
MACCS_145	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_145	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_145	Oc1c(ccc(C)c1)C	C95874
MACCS_145	C(=O)(OC)CCC(=O)OC	C106650
MACCS_145	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_145	O=C(O)C(CCCC)CC	C149575
MACCS_145	C(=O)(N)NO	C127071
MACCS_145	C(CC(C)C)OC(=O)C	C123922
MACCS_145	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_145	o1c(C)c(O)c(=O)cc1	C118718
MACCS_145	O=C(OC)c1c(N)cccc1	C134203
MACCS_145	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_145	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_145	O=C(OC)c1c(O)cccc1	C119368
MACCS_145	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_145	O=c1ccsn1CCCCCCCC	C26530201
MACCS_145	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_145	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_145	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_145	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_145	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_145	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_145	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_145	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_145	C(OCCOC)COCCOC	C112492
MACCS_145	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_145	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_145	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_145	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_145	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_145	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_145	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_145	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_145	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_145	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_145	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_145	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_145	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_145	OCCC(C)CCC=C(C)C	C106229
MACCS_145	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_145	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_145	OCCC(O)C	C107880
MACCS_145	OC(CC(C)C)C	C108112
MACCS_145	O=C(OC)CCCCCCC	C111115
MACCS_145	O=C(OC)CCCCCCCCCCC	C111820
MACCS_145	OCCOCCCCCC	C112254
MACCS_145	OCCCCCCCCCCC	C112425
MACCS_145	OCCCCCCCCCCCC	C112538
MACCS_145	OCCCCCCCCCCCCCC	C112721
MACCS_145	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_145	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_145	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_145	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_145	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_145	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_145	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_145	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_145	O=C(C)OCCCCC	C628637
MACCS_145	OCCCCCCCCCCCCCCC	C629765
MACCS_145	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_145	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_145	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_145	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_145	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_145	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_145	O=C(O)C(O)CC(=O)O	C6915157
MACCS_145	OC(OC(O)CC)CC	C25265718
MACCS_145	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_145	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_145	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_145	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_145	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_145	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_145	OC(OCCCOC)CC	C34590948
MACCS_145	OCCCCCCCCCCCCCCCC	C36653824
MACCS_145	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_145	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_145	O=C(OC)CC(=O)OC	C108598
MACCS_145	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_145	CCC12N(COC1)COC2	C7747355
MACCS_145	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_145	O=C(N)C(=C)C	C79390
MACCS_145	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_145	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_145	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_145	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_145	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_145	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_145	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_145	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_145	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_145	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_145	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_145	S=P(OCC)(OCC)SCSCC	C298022
MACCS_145	O=Cc1ccccc1C=O	C643798
MACCS_145	O=c1[nH]sc2c1cccc2	C2634335
MACCS_145	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_145	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_145	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_145	O=c1n(C)sc(Cl)c1	C26172554
MACCS_145	O=C1CCC(O1)CCCCCCC	C104676
MACCS_145	Oc1cc(C)ccc1C(C)C	C89838
MACCS_145	O=C(O)CCCCCCCCC=C	C112389
MACCS_145	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_145	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_145	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_145	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_145	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_145	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_145	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_145	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_145	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_145	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_145	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_145	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_145	O=C(OCC)CCC(=O)OCC	C123251
MACCS_145	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_145	O=C(CCC)OCC	C105544
MACCS_145	O=C(OCC)CCCCCC	C106309
MACCS_145	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_145	O=C(OCCCC)c1ccccc1	C136607
MACCS_145	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_145	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_145	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_145	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_145	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_145	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_145	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_145	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_145	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_145	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_145	O=C(CCC)OCCC(C)C	C106274
MACCS_145	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_145	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_145	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_145	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_145	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_145	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_145	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_145	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_145	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_145	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_145	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_145	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_145	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_145	O=C(C)NC	C79163
MACCS_145	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_145	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_145	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_145	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_145	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_145	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_145	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_145	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_145	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_145	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_145	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_145	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_145	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_145	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_145	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_145	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_145	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_145	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_145	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_145	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_145	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_145	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_145	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_145	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_145	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_145	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_145	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_145	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_145	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_145	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_145	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_145	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_145	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_145	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_145	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_145	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_145	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_145	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_145	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_145	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_145	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_145	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_145	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_145	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_145	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_145	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_145	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_145	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_145	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_145	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_145	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_145	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_145	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_145	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_145	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_145	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_145	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_145	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_145	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_145	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_145	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_145	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_145	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_145	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_145	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_145	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_145	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_145	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_145	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_145	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_145	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_145	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_145	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_145	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_145	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_145	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_145	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_145	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_145	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_145	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_145	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_145	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_145	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_145	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_145	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_145	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_145	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_145	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_145	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_145	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_145	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_145	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_145	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_145	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_145	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_145	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_145	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_145	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_145	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_145	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_145	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_145	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_145	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_145	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_145	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_145	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_145	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_145	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_145	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_145	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_145	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_145	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_145	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_145	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_145	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_145	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_145	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_145	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_145	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_145	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_145	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_145	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_145	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_145	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_145	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_145	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_145	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_145	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_145	C(=O)N	C75127
MACCS_145	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_145	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_145	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_145	OC(C(CC)CCCC)C#C	C5877429
MACCS_145	[Na+].[O-][Cl]=O	C7758192
MACCS_145	OCCCBr	C627189
MACCS_145	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_145	C(=O)(C)O	C64197
MACCS_145	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_145	C(CO)C(C)C	C123513
MACCS_145	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_145	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_145	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_145	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_145	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_145	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_145	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_145	NCCOCCOCCN	C929599
MACCS_145	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_145	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_145	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_145	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_145	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_145	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_145	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_145	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_145	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_145	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_145	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_145	O=[Si]=O	C7631869
MACCS_145	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_145	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_145	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_145	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_145	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_145	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_145	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_145	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_145	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_145	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_145	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_145	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_145	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_145	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_145	OCCC(OC)C	C2517433
MACCS_145	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_145	O=CCC(C)CCC=C(C)C	C106230
MACCS_145	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_145	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_145	O=COCC	C109944
MACCS_145	O=C(OCC)c1ccccc1	C93890
MACCS_145	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_145	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_145	O=CCCSC	C3268493
MACCS_145	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_145	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_145	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_145	CC(=O)OCC	C141786
MACCS_145	CC(=O)OCCCC	C123864
MACCS_145	CC(=O)CCC(C)C	C110123
MACCS_145	CC(=O)CC(C)C	C108101
MACCS_145	CC(C)C=O	C78842
MACCS_145	CCCCCC=O	C66251
MACCS_145	CCCC=O	C123728
MACCS_145	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_145	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_145	CCC1CO1	C106887
MACCS_145	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_145	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_145	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_145	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_145	CC1CC(=O)O1	C3068880
MACCS_145	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_145	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_145	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_145	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_145	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_145	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_145	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_145	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_145	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_145	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_145	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_145	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_145	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_145	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_145	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_145	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_145	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_145	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_145	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_145	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_145	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_145	O=C(CCl)CCl	C534076
MACCS_145	CC(c1ccc(CO)cc1)C	C536607
MACCS_145	CC(=O)C(=O)O	C127173
MACCS_145	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_145	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_145	CN(C)c1ccc(C=O)cc1	C100107
MACCS_145	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_145	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_145	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_145	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_145	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_145	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_145	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_145	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_145	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_145	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_145	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_145	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_145	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_145	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_145	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_145	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_145	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_145	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_145	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_145	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_145	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_145	Nc1ccc(OC)cc1	C104949
MACCS_145	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_145	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_145	O=CC=CC=CCCCCC	C25152845
MACCS_145	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_145	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_145	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_145	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_145	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_145	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_145	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_145	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_145	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_145	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_145	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_145	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_145	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_145	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_145	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_145	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_145	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_145	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_145	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_145	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_145	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_145	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_145	OCC=C(C)C	C556821
MACCS_145	ClC(=O)C(CC)CCCC	C760678
MACCS_145	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_145	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_145	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_145	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_145	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_145	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_145	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_145	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_145	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_145	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_145	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_145	OCc1c[nH]c2c1cccc2	C700061
MACCS_145	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_145	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_145	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_145	O=c1cc(C)o[nH]1	C10004441
MACCS_145	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_145	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_145	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_145	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_145	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_145	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_145	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_145	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_145	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_145	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_145	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_145	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_145	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_145	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_145	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_145	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_145	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_145	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_145	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_145	O=CCCCCCCCCC=C	C112458
MACCS_145	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_145	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_145	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_145	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_145	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_145	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_145	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_145	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_145	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_145	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_145	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_145	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_145	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_145	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_145	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_145	O=P(OCCCC)(O)OCCCC	C107664
MACCS_145	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_145	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_145	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_145	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_145	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_145	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_145	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_145	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_145	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_145	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_145	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_145	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_145	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_145	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_145	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_145	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_145	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_145	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_145	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_145	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_145	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_145	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_145	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_145	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_145	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_145	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_145	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_145	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_145	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_145	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_145	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_145	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_145	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_145	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_145	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_145	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_145	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_145	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_145	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_145	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_145	O=[As]c1ccccc1	C637036
MACCS_145	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_145	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_145	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_145	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_145	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_145	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_145	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_145	O=CN1CCCCC1	C2591868
MACCS_145	O=C(O)CCSCCC(=O)O	C111171
MACCS_145	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_145	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_145	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_145	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_145	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_145	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_145	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_145	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_145	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_145	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_145	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_145	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_145	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_145	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_145	O=C(OC)CCCC(=O)O	C1501275
MACCS_145	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_145	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_145	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_145	O=C(OCCCCO)C=C	C2478106
MACCS_145	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_145	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_145	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_145	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_145	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_145	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_145	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_145	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_145	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_145	NCCCOCCCCCCCC	C15930662
MACCS_145	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_145	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_145	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_145	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_145	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_145	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_145	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_145	CC1COc2ccccc2N1	C32329207
MACCS_145	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_145	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_145	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_145	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_145	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_145	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_145	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_145	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_145	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_145	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_145	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_145	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_145	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_145	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_145	O=C/C=C/CCCCCCC	C3913813
MACCS_145	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_145	COC(OC)C(C)c1ccccc1	C90879
MACCS_145	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_145	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_145	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_145	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_145	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_145	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_145	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_145	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_145	CC/C=C\CCOC(OCC)C	C28069741
MACCS_145	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_145	NNC(=O)OCc1ccccc1	C5331431
MACCS_145	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_145	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_145	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_145	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_145	Cl[In](Cl)Cl.O.O	C143983919
MACCS_145	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_145	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_145	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_145	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_145	CCCCCCCCCC(C)C=O	C110418
MACCS_145	O=COCc1ccc(OC)cc1	C122918
MACCS_145	CCCCCc1ccco1	C3777693
MACCS_145	CCC(=O)C(=O)CC	C4437518
MACCS_145	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_145	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_146	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_146	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_146	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_146	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_146	O=C1CCCCC1	C108941
MACCS_146	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_146	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_146	BrCCBr	C106934
MACCS_146	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_146	CN(CCO)C	C108010
MACCS_146	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_146	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_146	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_146	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_146	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_146	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_146	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_146	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_146	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_146	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_146	O=NN1CCCC1	C930552
MACCS_146	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_146	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_146	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_146	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_146	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_146	OCCOCCOCCOCCCC	C143226
MACCS_146	CCCCCCCCCC=O	C112312
MACCS_146	CCCCCCCCCCCC(=O)O	C143077
MACCS_146	O=CCCCCCC	C111717
MACCS_146	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_146	CCCCCCCCC=O	C124196
MACCS_146	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_146	OC(=O)CCCC	C109524
MACCS_146	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_146	OCCC	C71238
MACCS_146	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_146	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_146	ON=C1CCCCC1	C100641
MACCS_146	OCCN1CCNCC1	C103764
MACCS_146	Nc1ccc(CCCC)cc1	C104132
MACCS_146	CCCC(=O)C	C107879
MACCS_146	C1CCCCC1O	C108930
MACCS_146	CCCCCC(=O)C	C110430
MACCS_146	CCNCCO	C110736
MACCS_146	CCCCCCO	C111273
MACCS_146	CCCCCCCO	C111706
MACCS_146	CCCCCCCCCC(=O)C	C112129
MACCS_146	CCCCCC(=O)OCC	C123660
MACCS_146	CCCCCCCCCCCCN	C124221
MACCS_146	NCCN1CCNCC1	C140318
MACCS_146	CCCCCCCCCO	C143088
MACCS_146	Oc1ccc(CCC)cc1	C645567
MACCS_146	CCCCCCC1OC(=O)CC1	C706149
MACCS_146	C=CC(=O)OCCO	C818611
MACCS_146	CC/C=C\CCO	C928961
MACCS_146	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_146	CCCCCCCCCCN	C2016571
MACCS_146	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_146	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_146	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_146	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_146	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_146	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_146	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_146	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_146	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_146	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_146	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_146	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_146	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_146	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_146	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_146	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_146	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_146	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_146	C(=O)(O)CCC(=O)O	C110156
MACCS_146	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_146	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_146	ON=CCCC	C110690
MACCS_146	OCCCCO	C110634
MACCS_146	O=C(OCCCC)C=C	C141322
MACCS_146	C(OCCCC)C1CO1	C2426086
MACCS_146	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_146	C(CCN)CCCN	C124094
MACCS_146	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_146	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_146	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_146	N(CCN)CCN	C111400
MACCS_146	N(CCCN)(C)C	C109557
MACCS_146	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_146	C(CCCCCC)CCCCCS	C112550
MACCS_146	C(CC)(C=O)CCCC	C123057
MACCS_146	OCC(C(O)CCC)CC	C94962
MACCS_146	CCC(=CCCC)C=O	C645625
MACCS_146	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_146	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_146	O=CCCCC=O	C111308
MACCS_146	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_146	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_146	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_146	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_146	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_146	N#CC(CCC#N)C	C4553622
MACCS_146	C1COCCN1	C110918
MACCS_146	C(CCCCCCC)C	C111842
MACCS_146	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_146	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_146	c12ccccc1CCCC2	C119642
MACCS_146	ClCCOP(OCCCl)OCCCl	C140089
MACCS_146	OCCc1ccccc1	C60128
MACCS_146	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_146	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_146	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_146	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_146	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_146	O=C(C)OCC(CC)CCCC	C103093
MACCS_146	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_146	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_146	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_146	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_146	O=C(OC)CCCCCCCCC	C110429
MACCS_146	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_146	N1CCCCCC1	C111499
MACCS_146	O=C(C)OCCOC(=O)C	C111557
MACCS_146	O=C(C)OCCOCCCC	C112072
MACCS_146	CCCCCCCCCCCCN(C)C	C112185
MACCS_146	OCCOCCOCCOC	C112356
MACCS_146	OCCOCCOCCOCCO	C112607
MACCS_146	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_146	OC(CCCCCC)C	C123966
MACCS_146	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_146	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_146	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_146	CC1=CCC(=C(C)C)CC1	C586629
MACCS_146	O=C1NCCC1	C616455
MACCS_146	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_146	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_146	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_146	O=C(N(C)C)CCCCCCC	C1118929
MACCS_146	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_146	OCCOCCOCCOCCOCCCC	C1559348
MACCS_146	OC1CCCCCCCCCCC1	C1724396
MACCS_146	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_146	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_146	OCCOCCC	C2807309
MACCS_146	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_146	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_146	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_146	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_146	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_146	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_146	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_146	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_146	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_146	SC(C)(C)CCCCCC	C25360105
MACCS_146	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_146	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_146	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_146	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_146	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_146	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_146	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_146	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_146	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_146	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_146	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_146	OC(CCCC(C)C)(C)CC	C78693
MACCS_146	OCC1OCCC1	C97994
MACCS_146	CN1CCOCC1	C109024
MACCS_146	O=C1CCCC1	C120923
MACCS_146	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_146	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_146	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_146	OC(C)COCCC	C1569013
MACCS_146	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_146	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_146	OCC(CCC)CCCCC	C10042598
MACCS_146	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_146	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_146	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_146	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_146	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_146	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_146	CC(=C)C1CC=C(C)CC1	C138863
MACCS_146	OC1CC(CCC1C(C)C)C	C1490046
MACCS_146	OCCC(C)CC(C)(C)C	C3452979
MACCS_146	OC(OCCCC)CC	C29387868
MACCS_146	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_146	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_146	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_146	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_146	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_146	OCCSCCCCCCCC	C3547339
MACCS_146	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_146	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_146	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_146	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_146	OC1CCCC1	C96413
MACCS_146	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_146	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_146	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_146	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_146	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_146	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_146	O=C1OC(CCCCC)CC1	C104610
MACCS_146	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_146	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_146	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_146	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_146	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_146	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_146	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_146	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_146	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_146	OC(CCCCC)C=C	C3391864
MACCS_146	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_146	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_146	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_146	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_146	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_146	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_146	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_146	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_146	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_146	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_146	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_146	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_146	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_146	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_146	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_146	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_146	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_146	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_146	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_146	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_146	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_146	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_146	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_146	Nc1ccc(CCCCC)cc1	C33228443
MACCS_146	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_146	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_146	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_146	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_146	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_146	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_146	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_146	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_146	CC1=CC=C(C(C)C)CC1	C99865
MACCS_146	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_146	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_146	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_146	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_146	O=C1CCC(O1)CC	C695067
MACCS_146	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_146	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_146	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_146	OC(CCCC(C)C)(C)C	C13254347
MACCS_146	O=C/C=C/CCC	C6728263
MACCS_146	O1C=CCCC1	C110872
MACCS_146	O=C(C)OCC/C=C\CC	C3681718
MACCS_146	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_146	CCC(c1ccccc1)CCC	C4468422
MACCS_146	O=CCC/C=C\CCCCC	C21662099
MACCS_146	NCCCN1CCOCC1	C123002
MACCS_146	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_146	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_146	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_146	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_146	O=C(CCC)OCCCCC	C540181
MACCS_146	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_146	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_146	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_146	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_146	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_146	OCCOCC(CC)CCCC	C1559359
MACCS_146	O=C(CC)CCCCC	C106683
MACCS_146	OCCN(CC)CCO	C139877
MACCS_146	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_146	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_146	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_146	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_146	O=C(CCC)OCCCCCCC	C5870939
MACCS_146	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_146	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_146	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_146	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_146	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_146	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_146	OC(C)C(=O)OCCCC	C138227
MACCS_146	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_146	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_146	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_146	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_146	COc1ccc(CCC)cc1	C104450
MACCS_146	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_146	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_146	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_146	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_146	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_146	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_146	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_146	CO[Si](OC)(CCC)OC	C1067250
MACCS_146	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_146	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_146	O=C(C)OCCCCCCCC	C112141
MACCS_146	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_146	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_146	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_146	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_146	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_146	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_146	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_146	NCCN.I.I	C5700492
MACCS_146	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_146	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_146	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_146	OCC(CCCC)CCCCCC	C3913028
MACCS_146	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_146	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_146	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_146	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_146	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_146	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_146	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_146	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_146	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_146	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_146	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_146	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_146	Oc1ccc(CCCC)cc1	C1638228
MACCS_146	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_146	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_146	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_146	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_146	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_146	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_146	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_146	OCCOCC(C)OCCO	C9003116
MACCS_146	O=C1OC(CCC)CC1	C105215
MACCS_146	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_146	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_146	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_146	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_146	Nc1ccc(CCC)cc1	C2696846
MACCS_146	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_146	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_146	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_146	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_146	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_146	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_146	Clc1ccc(CCCC)cc1	C15499271
MACCS_146	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_146	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_146	O=C1CCC(CCC)CC1	C40649363
MACCS_146	Nc1ccc(cc1)OCCCC	C4344552
MACCS_146	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_146	OC1CCC(CCCC)CC1	C70568604
MACCS_146	Clc1ccc(CCCCC)cc1	C79098207
MACCS_146	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_146	S=C1NCCN1	C96457
MACCS_146	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_146	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_146	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_146	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_146	c1ccccc1OCCO	C122996
MACCS_146	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_146	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_146	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_146	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_146	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_146	ClCCP(=O)(O)O	C16672870
MACCS_146	CCCN(CCC)C(=O)SCC	C759944
MACCS_146	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_146	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_146	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_146	OCCOC	C109864
MACCS_146	O=C(SCC)N1CCCCCC1	C2212671
MACCS_146	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_146	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_146	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_146	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_146	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_146	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_146	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_146	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_146	O=C(NCCCC)OCC#CI	C55406536
MACCS_146	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_146	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_146	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_146	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_146	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_146	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_146	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_146	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_146	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_146	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_146	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_146	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_146	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_146	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_146	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_146	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_146	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_146	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_146	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_146	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_146	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_146	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_146	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_146	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_146	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_146	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_146	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_146	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_146	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_146	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_146	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_146	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_146	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_146	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_146	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_146	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_146	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_146	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_146	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_146	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_146	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_146	ClCCOCCCl	C111444
MACCS_146	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_146	O=C1CCCO1	C96480
MACCS_146	O=C1CCCCCN1	C105602
MACCS_146	OCCOCCO	C111466
MACCS_146	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_146	C(CO)O	C107211
MACCS_146	O1C2C1CCC(C2)C1CO1	C106876
MACCS_146	CCC(CCCC)CO	C104767
MACCS_146	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_146	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_146	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_146	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_146	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_146	O=C1N(CCC1)C	C872504
MACCS_146	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_146	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_146	O=NN(CCCC)CCCC	C924163
MACCS_146	O=NN(CCC)CCC	C621647
MACCS_146	C1CNCCN1	C110850
MACCS_146	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_146	O=S1(=O)CCCO1	C1120714
MACCS_146	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_146	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_146	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_146	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_146	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_146	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_146	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_146	OCCN(CCO)CCO	C102716
MACCS_146	OCCOCCOCCO	C112276
MACCS_146	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_146	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_146	O=C1N(C=C)CCC1	C88120
MACCS_146	OC(=O)CCC	C107926
MACCS_146	CCCCOCCOCCO	C112345
MACCS_146	CCCCCCCCCC(=O)O	C334485
MACCS_146	O=C(O)CCCCCC	C111148
MACCS_146	OC(=O)CCCCC(=O)O	C124049
MACCS_146	CCCCCC(=O)O	C142621
MACCS_146	CCCCCCCCC(=O)O	C112050
MACCS_146	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_146	CCCCCCCC=O	C124130
MACCS_146	CCCCCCCC(=O)O	C124072
MACCS_146	CCCCC=O	C110623
MACCS_146	CCCCCCCCCCC	C1120214
MACCS_146	c1ccc2cccc3c2c1CC3	C83329
MACCS_146	CCN(CCO)CC	C100378
MACCS_146	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_146	ClCCO	C107073
MACCS_146	CC(=O)OCCOCC	C111159
MACCS_146	OCCNCCO	C111422
MACCS_146	N#CCCCCC#N	C111693
MACCS_146	CCCCCCCCO	C111875
MACCS_146	CCOCCOCCO	C111900
MACCS_146	CCCCCCCCCCO	C112301
MACCS_146	CCCCCCCCCCCCCO	C112709
MACCS_146	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_146	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_146	OCCN	C141435
MACCS_146	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_146	c1(CCCC)ccccc1	C104518
MACCS_146	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_146	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_146	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_146	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_146	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_146	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_146	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_146	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_146	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_146	C(=O)(O)C(CCC)CCC	C99661
MACCS_146	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_146	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_146	NC1CCCCC1	C108918
MACCS_146	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_146	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_146	CCOCCO	C110805
MACCS_146	CCCCOCCO	C111762
MACCS_146	O=C=NCCCCCCN=C=O	C822060
MACCS_146	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_146	OCCOCCOCCOCC	C112505
MACCS_146	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_146	O(CCOC)CCOC	C111966
MACCS_146	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_146	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_146	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_146	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_146	C(CCCCCCCC)C	C124185
MACCS_146	O(CCOC)CCO	C111773
MACCS_146	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_146	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_146	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_146	COC(=O)CCCC(=O)OC	C1119400
MACCS_146	C(=O)(OC)CCC(=O)OC	C106650
MACCS_146	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_146	O=C(O)C(CCCC)CC	C149575
MACCS_146	C(CC(C)C)OC(=O)C	C123922
MACCS_146	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_146	O=c1ccsn1CCCCCCCC	C26530201
MACCS_146	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_146	N(CCCC)(CCCC)CCCC	C102829
MACCS_146	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_146	C(OCCOC)COCCOC	C112492
MACCS_146	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_146	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_146	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_146	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_146	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_146	OCCC(C)CCC=C(C)C	C106229
MACCS_146	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_146	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_146	OCCC(O)C	C107880
MACCS_146	O=C(OC)CCCCCCC	C111115
MACCS_146	O=C(OC)CCCCCCCCCCC	C111820
MACCS_146	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_146	OCCOCCCCCC	C112254
MACCS_146	OCCCCCCCCCCC	C112425
MACCS_146	OCCCCCCCCCCCC	C112538
MACCS_146	OCCCCCCCCCCCCCC	C112721
MACCS_146	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_146	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_146	CCCCCCCCCCCCCCCC	C544763
MACCS_146	O=C(C)OCCCCC	C628637
MACCS_146	CCCCCCCCCCCCCCC	C629629
MACCS_146	OCCCCCCCCCCCCCCC	C629765
MACCS_146	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_146	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_146	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_146	C1=CCCC=CCCC=CCC1	C4904614
MACCS_146	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_146	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_146	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_146	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_146	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_146	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_146	OC(OCCCOC)CC	C34590948
MACCS_146	OCCCCCCCCCCCCCCCC	C36653824
MACCS_146	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_146	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_146	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_146	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_146	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_146	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_146	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_146	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_146	O=C1CCC(O1)CCCCCCC	C104676
MACCS_146	O=C(O)CCCCCCCCC=C	C112389
MACCS_146	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_146	CCCCCCCCN(C)C	C7378996
MACCS_146	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_146	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_146	O=C(OCC)CCC(=O)OCC	C123251
MACCS_146	O=C(CCC)OCC	C105544
MACCS_146	O=C(OCC)CCCCCC	C106309
MACCS_146	O=C(OCCCC)c1ccccc1	C136607
MACCS_146	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_146	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_146	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_146	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_146	O=C(CCC)OCCC(C)C	C106274
MACCS_146	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_146	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_146	CCCc1ccccc1	C103651
MACCS_146	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_146	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_146	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_146	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_146	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_146	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_146	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_146	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_146	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_146	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_146	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_146	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_146	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_146	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_146	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_146	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_146	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_146	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_146	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_146	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_146	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_146	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_146	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_146	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_146	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_146	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_146	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_146	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_146	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_146	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_146	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_146	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_146	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_146	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_146	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_146	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_146	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_146	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_146	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_146	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_146	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_146	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_146	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_146	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_146	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_146	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_146	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_146	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_146	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_146	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_146	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_146	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_146	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_146	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_146	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_146	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_146	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_146	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_146	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_146	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_146	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_146	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_146	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_146	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_146	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_146	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_146	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_146	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_146	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_146	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_146	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_146	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_146	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_146	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_146	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_146	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_146	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_146	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_146	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_146	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_146	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_146	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_146	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_146	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_146	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_146	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_146	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_146	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_146	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_146	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_146	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_146	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_146	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_146	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_146	C=CCCCCCCCCCCCC	C1120361
MACCS_146	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_146	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_146	OC(C(CC)CCCC)C#C	C5877429
MACCS_146	OCCCBr	C627189
MACCS_146	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_146	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_146	C(CO)C(C)C	C123513
MACCS_146	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_146	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_146	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_146	NCCOCCOCCN	C929599
MACCS_146	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_146	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_146	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_146	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_146	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_146	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_146	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_146	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_146	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_146	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_146	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_146	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_146	OCCC(OC)C	C2517433
MACCS_146	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_146	S=C(NCCCC)NCCCC	C109466
MACCS_146	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_146	O=CCC(C)CCC=C(C)C	C106230
MACCS_146	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_146	O=CCCSC	C3268493
MACCS_146	N(CCN(C)C)(C)C	C110189
MACCS_146	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_146	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_146	CC(=O)OCCCC	C123864
MACCS_146	CC(=O)CCC(C)C	C110123
MACCS_146	NCCN	C107153
MACCS_146	CCCCCC=O	C66251
MACCS_146	CCCC=O	C123728
MACCS_146	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_146	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_146	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_146	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_146	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_146	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_146	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_146	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_146	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_146	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_146	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_146	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_146	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_146	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_146	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_146	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_146	O=CC=CC=CCCCCC	C25152845
MACCS_146	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_146	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_146	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_146	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_146	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_146	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_146	ClC(=O)C(CC)CCCC	C760678
MACCS_146	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_146	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_146	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_146	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_146	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_146	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_146	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_146	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_146	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_146	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_146	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_146	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_146	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_146	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_146	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_146	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_146	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_146	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_146	O=CCCCCCCCCC=C	C112458
MACCS_146	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_146	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_146	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_146	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_146	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_146	O=P(OCCCC)(O)OCCCC	C107664
MACCS_146	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_146	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_146	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_146	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_146	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_146	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_146	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_146	N#CSCCCCCCCCCCCC	C765151
MACCS_146	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_146	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_146	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_146	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_146	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_146	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_146	O=CN1CCCCC1	C2591868
MACCS_146	O=C(O)CCSCCC(=O)O	C111171
MACCS_146	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_146	CCCCCCCCCCCCN.Cl	C929737
MACCS_146	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_146	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_146	BrCCCCCCCCCCCC	C143157
MACCS_146	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_146	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_146	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_146	O=C(OC)CCCC(=O)O	C1501275
MACCS_146	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_146	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_146	O=C(OCCCCO)C=C	C2478106
MACCS_146	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_146	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_146	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_146	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_146	NCCCOCCCCCCCC	C15930662
MACCS_146	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_146	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_146	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_146	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_146	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_146	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_146	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_146	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_146	O=C/C=C/CCCCCCC	C3913813
MACCS_146	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_146	SC1CCCC1	C1679078
MACCS_146	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_146	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_146	S=C=NCCCSC	C505793
MACCS_146	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_146	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_146	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_146	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_146	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_146	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_146	CC/C=C\CCOC(OCC)C	C28069741
MACCS_146	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_146	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_146	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_146	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_146	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_146	CCCCCCCCCC(C)C=O	C110418
MACCS_146	CCCCCc1ccco1	C3777693
MACCS_146	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_147	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_147	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_147	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_147	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_147	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_147	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_147	CN(C)C(=O)C	C127195
MACCS_147	CN(CCO)C	C108010
MACCS_147	CN(C)N	C57147
MACCS_147	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_147	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_147	O=[N+](CC)[O-]	C79243
MACCS_147	CN(C(=O)N)N=O	C684935
MACCS_147	CN(N=O)C	C62759
MACCS_147	O=NN1CCCC1	C930552
MACCS_147	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_147	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_147	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_147	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_147	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_147	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_147	O=P(OC)(OC)OC	C512561
MACCS_147	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_147	F[B-](F)(F)F.[Na+]	C13755298
MACCS_147	CS(=O)C	C67685
MACCS_147	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_147	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_147	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_147	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_147	OCCN1CCNCC1	C103764
MACCS_147	NCCN1CCNCC1	C140318
MACCS_147	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_147	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_147	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_147	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_147	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_147	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_147	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_147	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_147	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_147	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_147	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_147	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_147	C[Si](=O)C	C9016006
MACCS_147	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_147	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_147	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_147	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_147	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_147	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_147	OP(=O)(O)O	C7664382
MACCS_147	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_147	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_147	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_147	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_147	N(C)(C)c1cccc(O)c1	C99070
MACCS_147	N(CCCN)(C)C	C109557
MACCS_147	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_147	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_147	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_147	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_147	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_147	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_147	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_147	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_147	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_147	O=P(OCC)(OCC)OCC	C78400
MACCS_147	N(C)(C)C	C75503
MACCS_147	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
MACCS_147	ClCCOP(OCCCl)OCCCl	C140089
MACCS_147	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_147	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_147	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_147	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_147	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_147	CCCCCCCCCCCCN(C)C	C112185
MACCS_147	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_147	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_147	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_147	ClP(c1ccccc1)Cl	C644973
MACCS_147	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_147	Cl[Sn](C)(C)Cl	C753731
MACCS_147	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_147	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
MACCS_147	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_147	O=C(N)[O-].[NH4+]	C1111780
MACCS_147	O=C(N(C)C)CCCCCCC	C1118929
MACCS_147	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_147	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_147	O=C(N(C)C)CC(=O)C	C2044646
MACCS_147	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_147	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_147	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_147	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_147	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_147	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_147	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_147	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_147	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_147	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_147	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_147	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_147	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_147	CN1CCOCC1	C109024
MACCS_147	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_147	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_147	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_147	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_147	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_147	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_147	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_147	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_147	N#C[S-].[NH4+]	C1762954
MACCS_147	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_147	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_147	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_147	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_147	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_147	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_147	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_147	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_147	OCn1nc(C)cc1C	C85264331
MACCS_147	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_147	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_147	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_147	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_147	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_147	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_147	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_147	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_147	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_147	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_147	O=S(=O)(N)O	C5329146
MACCS_147	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_147	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_147	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_147	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_147	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_147	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_147	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_147	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_147	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_147	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_147	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_147	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_147	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_147	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_147	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_147	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_147	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_147	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_147	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_147	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_147	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_147	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_147	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_147	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_147	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_147	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
MACCS_147	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_147	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_147	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_147	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_147	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_147	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_147	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_147	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_147	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_147	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_147	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_147	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_147	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_147	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_147	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_147	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_147	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_147	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_147	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_147	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_147	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_147	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_147	Oc1ccccc1CN(C)C	C120650
MACCS_147	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_147	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_147	NCCCN1CCOCC1	C123002
MACCS_147	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_147	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_147	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_147	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_147	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_147	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_147	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_147	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_147	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_147	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_147	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_147	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_147	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_147	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_147	OP(OCC)OCC	C762049
MACCS_147	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_147	Cl[Dy](Cl)Cl	C10025748
MACCS_147	OCCN(CC)CCO	C139877
MACCS_147	CCO[Si](OCC)(OCC)CC	C78079
MACCS_147	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_147	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_147	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_147	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_147	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_147	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_147	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_147	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_147	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_147	CO[Si](C)(C)OC	C1112396
MACCS_147	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_147	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_147	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_147	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_147	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_147	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_147	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_147	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_147	CCO[Si](OCC)(C)OCC	C2031676
MACCS_147	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_147	CO[Si](OC)(CCC)OC	C1067250
MACCS_147	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_147	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_147	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_147	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_147	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_147	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_147	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_147	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_147	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_147	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_147	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_147	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_147	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_147	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_147	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_147	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_147	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_147	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_147	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_147	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_147	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_147	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_147	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_147	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_147	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_147	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_147	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_147	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_147	OB(O)O	C10043353
MACCS_147	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_147	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_147	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_147	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_147	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_147	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_147	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_147	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_147	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_147	C[As](=O)(C)O	C75605
MACCS_147	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_147	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_147	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_147	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_147	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_147	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_147	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_147	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_147	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_147	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_147	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_147	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_147	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_147	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_147	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_147	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_147	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_147	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_147	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_147	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_147	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_147	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_147	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_147	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_147	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_147	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_147	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_147	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_147	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_147	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_147	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_147	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_147	ClCCP(=O)(O)O	C16672870
MACCS_147	CCCN(CCC)C(=O)SCC	C759944
MACCS_147	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_147	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_147	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_147	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_147	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_147	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_147	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_147	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_147	NP(=O)(OC)SC	C10265926
MACCS_147	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_147	O=C(SCC)N1CCCCCC1	C2212671
MACCS_147	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_147	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_147	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_147	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_147	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_147	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_147	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_147	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_147	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_147	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_147	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_147	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_147	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_147	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_147	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_147	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_147	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_147	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_147	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_147	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_147	CN1CN(C)CSC1=S	C533744
MACCS_147	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_147	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_147	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_147	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_147	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_147	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_147	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_147	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_147	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_147	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_147	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_147	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_147	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_147	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_147	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_147	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_147	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_147	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_147	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_147	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_147	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_147	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_147	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_147	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_147	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_147	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_147	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_147	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_147	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_147	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_147	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_147	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_147	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_147	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_147	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_147	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_147	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_147	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_147	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_147	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_147	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_147	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_147	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_147	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_147	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_147	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_147	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_147	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_147	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_147	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_147	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_147	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_147	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_147	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_147	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_147	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_147	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_147	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_147	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_147	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_147	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_147	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_147	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_147	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_147	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_147	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_147	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_147	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_147	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_147	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_147	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_147	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_147	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_147	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_147	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_147	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_147	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_147	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_147	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_147	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_147	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_147	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_147	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_147	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_147	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_147	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_147	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_147	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_147	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_147	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_147	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_147	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_147	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_147	CN(c1ccccc1)C	C121697
MACCS_147	O=C(N(C)C)Cl	C79447
MACCS_147	CN(C=O)C	C68122
MACCS_147	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_147	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_147	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_147	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_147	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_147	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_147	C1N2CN3CN(C2)CN1C3	C100970
MACCS_147	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_147	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_147	[nH]1c(=S)n(cc1)C	C60560
MACCS_147	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_147	CS(=O)(=O)OC	C66273
MACCS_147	O=C1N(CCC1)C	C872504
MACCS_147	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_147	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_147	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_147	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_147	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_147	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_147	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_147	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_147	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_147	O=[N+](c1ccccc1)[O-]	C98953
MACCS_147	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_147	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_147	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_147	O=NN(CCCC)CCCC	C924163
MACCS_147	CCN(CC)N=O	C55185
MACCS_147	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_147	O=NN(CCC)CCC	C621647
MACCS_147	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_147	O=S1(=O)CCCO1	C1120714
MACCS_147	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_147	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_147	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_147	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_147	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_147	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_147	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_147	OCCN(CCO)CCO	C102716
MACCS_147	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_147	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_147	O=C1N(C=C)CCC1	C88120
MACCS_147	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_147	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_147	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_147	CCN(CC)c1ccccc1	C91667
MACCS_147	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_147	CN(C)c1ccc(C)cc1	C99978
MACCS_147	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_147	CCN(CCO)CC	C100378
MACCS_147	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_147	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_147	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_147	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_147	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_147	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_147	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_147	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_147	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_147	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_147	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_147	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_147	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_147	O=N(=O)c1ccc(C)cc1	C99990
MACCS_147	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_147	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_147	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_147	O=S(=O)(OCC)OCC	C64675
MACCS_147	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_147	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_147	O=S(=O)(OC)OC	C77781
MACCS_147	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_147	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_147	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_147	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_147	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_147	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_147	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_147	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_147	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_147	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_147	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_147	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_147	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_147	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_147	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_147	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_147	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_147	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_147	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_147	O=c1ccsn1CCCCCCCC	C26530201
MACCS_147	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_147	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_147	N(CCCC)(CCCC)CCCC	C102829
MACCS_147	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_147	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_147	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_147	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_147	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_147	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_147	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_147	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_147	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_147	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_147	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_147	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_147	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_147	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_147	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_147	CCC12N(COC1)COC2	C7747355
MACCS_147	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_147	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_147	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_147	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_147	S=P(OCC)(OCC)SCSCC	C298022
MACCS_147	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_147	Nn1cnnc1	C584134
MACCS_147	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_147	O=c1n(C)sc(Cl)c1	C26172554
MACCS_147	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_147	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_147	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_147	CCCCCCCCN(C)C	C7378996
MACCS_147	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_147	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_147	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_147	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_147	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_147	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_147	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_147	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_147	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_147	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_147	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_147	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_147	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_147	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_147	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_147	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_147	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_147	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_147	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_147	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_147	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_147	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_147	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_147	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_147	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_147	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_147	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_147	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_147	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_147	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_147	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_147	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_147	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_147	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_147	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_147	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_147	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_147	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_147	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_147	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_147	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_147	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_147	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_147	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_147	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_147	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_147	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_147	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_147	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_147	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_147	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_147	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_147	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_147	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_147	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_147	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_147	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_147	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_147	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_147	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_147	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_147	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_147	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_147	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_147	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_147	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_147	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_147	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_147	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_147	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_147	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_147	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_147	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_147	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_147	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_147	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_147	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_147	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_147	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_147	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_147	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_147	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_147	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_147	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_147	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_147	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_147	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_147	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_147	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_147	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_147	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_147	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_147	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_147	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_147	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_147	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_147	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_147	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_147	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_147	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_147	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_147	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_147	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_147	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_147	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_147	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_147	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_147	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_147	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_147	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_147	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_147	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_147	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_147	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_147	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_147	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_147	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_147	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_147	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_147	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_147	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_147	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_147	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_147	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_147	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_147	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_147	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_147	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_147	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_147	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_147	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_147	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_147	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_147	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_147	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_147	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_147	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_147	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_147	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_147	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_147	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_147	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_147	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_147	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_147	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_147	N(CCN(C)C)(C)C	C110189
MACCS_147	CCN(CC)CC	C121448
MACCS_147	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_147	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_147	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_147	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_147	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_147	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_147	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_147	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_147	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_147	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_147	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_147	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_147	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_147	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_147	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_147	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_147	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_147	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_147	CN(C)c1ccc(C=O)cc1	C100107
MACCS_147	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_147	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_147	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_147	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_147	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_147	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_147	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_147	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_147	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_147	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_147	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_147	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_147	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_147	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_147	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_147	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_147	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_147	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_147	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_147	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_147	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_147	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_147	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_147	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_147	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_147	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_147	Cl[In](Cl)Cl	C10025828
MACCS_147	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_147	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_147	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_147	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_147	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_147	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_147	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_147	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_147	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_147	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_147	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_147	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_147	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_147	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_147	Br[Sn](CC)(CC)CC	C2767546
MACCS_147	O=P(OCCCC)(O)OCCCC	C107664
MACCS_147	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_147	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_147	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_147	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_147	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_147	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_147	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_147	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_147	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_147	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_147	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_147	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_147	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_147	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_147	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_147	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_147	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_147	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_147	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_147	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_147	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_147	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_147	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_147	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_147	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_147	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_147	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_147	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_147	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_147	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_147	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_147	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_147	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_147	O=CN1CCCCC1	C2591868
MACCS_147	Cl[Sb](Cl)Cl	C10025919
MACCS_147	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_147	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_147	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_147	Cl[Au](Cl)Cl	C13453071
MACCS_147	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_147	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_147	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_147	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_147	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_147	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_147	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_147	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_147	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_147	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_147	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_147	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_147	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_147	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_147	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_147	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_147	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_147	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_147	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_147	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_147	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_147	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_147	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_147	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_147	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_147	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_147	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_147	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_147	Cl[In](Cl)Cl.O.O	C143983919
MACCS_147	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_147	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_147	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_148	CC(=O)N	C60355
MACCS_148	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_148	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_148	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_148	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_148	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_148	CC(=O)OCc1ccccc1	C140114
MACCS_148	CC(CNCC(C)O)O	C110974
MACCS_148	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_148	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_148	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_148	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_148	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_148	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_148	Clc1c(ccc(c1)N)C	C95749
MACCS_148	ClCOC	C107302
MACCS_148	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_148	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_148	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_148	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_148	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_148	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_148	S=C(NCC)NCC	C105555
MACCS_148	CN(C)C(=O)C	C127195
MACCS_148	CN(CCO)C	C108010
MACCS_148	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_148	CN(C)N	C57147
MACCS_148	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_148	C=CCc1ccc(cc1)OC	C140670
MACCS_148	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_148	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_148	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_148	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_148	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_148	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_148	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_148	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_148	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_148	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_148	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_148	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_148	COc1ccc(cc1)O	C150765
MACCS_148	NC(=O)OC	C598550
MACCS_148	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_148	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_148	C=Cc1ccc(cc1)C	C622979
MACCS_148	O=[N+](CC)[O-]	C79243
MACCS_148	CN(C(=O)N)N=O	C684935
MACCS_148	CN(N=O)C	C62759
MACCS_148	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_148	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_148	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_148	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_148	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_148	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_148	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_148	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_148	Nc1ccccc1C.Cl	C636215
MACCS_148	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_148	O=P(OC)(OC)OC	C512561
MACCS_148	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_148	OCCOCCOCCOCCCC	C143226
MACCS_148	CCCCCCCCCC=O	C112312
MACCS_148	CCCCCCCCCCCC(=O)O	C143077
MACCS_148	O=CCCCCCC	C111717
MACCS_148	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_148	CCCCCCCCC=O	C124196
MACCS_148	OC(=O)CCCC	C109524
MACCS_148	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_148	CS(=O)C	C67685
MACCS_148	OCCC	C71238
MACCS_148	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_148	OC(C)CN	C78966
MACCS_148	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_148	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_148	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_148	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_148	Nc1ccc(CCCC)cc1	C104132
MACCS_148	CCOC(=O)CC(=O)OCC	C105533
MACCS_148	CC(O)CC(C)(C)O	C107415
MACCS_148	CCCC(=O)C	C107879
MACCS_148	CCCCCC(=O)C	C110430
MACCS_148	CCNCCO	C110736
MACCS_148	CCCCCCO	C111273
MACCS_148	CCCCCCCO	C111706
MACCS_148	CCCCCCCCCC(=O)C	C112129
MACCS_148	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_148	Oc1ccc(CC)cc1	C123079
MACCS_148	CCCCCC(=O)OCC	C123660
MACCS_148	CCCCCCCCCCCCN	C124221
MACCS_148	CCCCCCCCCO	C143088
MACCS_148	COc1ccc(OC)cc1	C150787
MACCS_148	O=C(OC(C)(C)C)C	C540885
MACCS_148	Oc1ccc(CCC)cc1	C645567
MACCS_148	CCCCCCC1OC(=O)CC1	C706149
MACCS_148	CC/C=C\CCO	C928961
MACCS_148	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_148	CCCCCCCCCCN	C2016571
MACCS_148	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_148	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_148	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_148	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_148	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_148	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_148	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_148	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_148	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_148	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_148	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_148	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_148	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_148	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_148	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_148	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_148	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_148	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_148	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_148	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_148	c1(c(CC)cccc1)O	C90006
MACCS_148	c1c(O)cccc1CC	C620177
MACCS_148	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_148	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_148	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_148	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_148	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_148	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_148	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_148	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_148	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_148	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_148	c1cccc(OC)c1O	C90051
MACCS_148	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_148	C(=O)(O)C(C)O	C50215
MACCS_148	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_148	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_148	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_148	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_148	C[Si](=O)C	C9016006
MACCS_148	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_148	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_148	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_148	CNC	C124403
MACCS_148	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_148	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_148	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_148	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_148	CC(=C)C#N	C126987
MACCS_148	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_148	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_148	Cc1cc(O)ccc1	C108394
MACCS_148	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_148	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_148	CC(O)COC	C107982
MACCS_148	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_148	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_148	ON=CCCC	C110690
MACCS_148	O=C(OCCCC)C=C	C141322
MACCS_148	C(C)(C)(C)N	C75649
MACCS_148	C(OCCCC)C1CO1	C2426086
MACCS_148	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_148	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_148	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_148	C(C(=O)C)C(C)(C)O	C123422
MACCS_148	O=C(CC(C)C)CC(C)C	C108838
MACCS_148	N(C)(C)c1cccc(O)c1	C99070
MACCS_148	N(CCCN)(C)C	C109557
MACCS_148	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_148	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_148	Cc1c(C)cccc1O	C526750
MACCS_148	Cc1cc(C)cc(O)c1	C108689
MACCS_148	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_148	C(CCCCCC)CCCCCS	C112550
MACCS_148	O=C(OCC)c1c(N)cccc1	C87252
MACCS_148	C(CC)(C=O)CCCC	C123057
MACCS_148	OCC(C(O)CCC)CC	C94962
MACCS_148	CCC(=CCCC)C=O	C645625
MACCS_148	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_148	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_148	CC=C1CC2C=CC1C2	C16219753
MACCS_148	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_148	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_148	C(C)(C)(O)C#N	C75865
MACCS_148	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_148	O(C(C)C)C(=O)C	C108214
MACCS_148	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_148	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_148	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_148	N#CC(CCC#N)C	C4553622
MACCS_148	O=C(C)C=Cc1ccccc1	C122576
MACCS_148	C(CCCCCCC)C	C111842
MACCS_148	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_148	O(c1ccc(N)cc1)CC	C156434
MACCS_148	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_148	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_148	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_148	Cc1cccc2nn[nH]c12	C29385431
MACCS_148	O=P(OCC)(OCC)OCC	C78400
MACCS_148	N(C)(C)C	C75503
MACCS_148	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_148	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_148	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_148	Cc1cccc(C)c1	C108383
MACCS_148	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_148	N#CC(C)C	C78820
MACCS_148	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_148	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_148	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_148	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_148	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_148	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_148	O=C(C)OCC(CC)CCCC	C103093
MACCS_148	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_148	O=C1OCC(C)O1	C108327
MACCS_148	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_148	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_148	O=C(OC)CCCCCCCCC	C110429
MACCS_148	O=C(C)OCCOC(=O)C	C111557
MACCS_148	O=C(C)OCCOCCCC	C112072
MACCS_148	CCCCCCCCCCCCN(C)C	C112185
MACCS_148	OCCOCCOCCOC	C112356
MACCS_148	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_148	O=Cc1ccc(OC)cc1	C123115
MACCS_148	OC(CCCCCC)C	C123966
MACCS_148	OCC(N)(C)C	C124685
MACCS_148	OCC(C)(C)CO	C126307
MACCS_148	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_148	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_148	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_148	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_148	CC1=CCC(=C(C)C)CC1	C586629
MACCS_148	O=COC(C)C	C625558
MACCS_148	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_148	Cl[Sn](C)(C)Cl	C753731
MACCS_148	OC(C)COc1ccccc1	C770354
MACCS_148	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_148	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_148	O=C(N(C)C)CCCCCCC	C1118929
MACCS_148	Nc1cccc(C)c1C	C1300738
MACCS_148	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_148	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_148	OCCOCCOCCOCCOCCCC	C1559348
MACCS_148	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_148	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_148	O=C(N(C)C)CC(=O)C	C2044646
MACCS_148	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_148	OCCOCCC	C2807309
MACCS_148	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_148	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_148	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_148	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_148	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_148	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_148	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_148	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_148	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_148	Nc1c(C)cccc1CC	C24549062
MACCS_148	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_148	Clc1cccc(C)c1	C25168052
MACCS_148	CC(CO)O	C25322694
MACCS_148	SC(C)(C)CCCCCC	C25360105
MACCS_148	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_148	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_148	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_148	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_148	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_148	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_148	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_148	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_148	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_148	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_148	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_148	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_148	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_148	OC(CCCC(C)C)(C)CC	C78693
MACCS_148	Cc1cc(C)c(C)cc1C	C95932
MACCS_148	O=C(c1ccc(O)cc1)C	C99934
MACCS_148	CN1CCOCC1	C109024
MACCS_148	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_148	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_148	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_148	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_148	[S-]C(=S)NC.[Na+]	C137428
MACCS_148	O=C(C=C(C)C)C	C141797
MACCS_148	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_148	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_148	OC(C)COCCC	C1569013
MACCS_148	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_148	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_148	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_148	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_148	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_148	OCC(CCC)CCCCC	C10042598
MACCS_148	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_148	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_148	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_148	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_148	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_148	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_148	CC(=C)C1CC=C(C)CC1	C138863
MACCS_148	OC1CC(CCC1C(C)C)C	C1490046
MACCS_148	OCCC(C)CC(C)(C)C	C3452979
MACCS_148	OC(OCCCC)CC	C29387868
MACCS_148	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_148	ClC(Cl)(C)C	C594207
MACCS_148	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_148	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_148	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_148	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_148	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_148	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_148	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_148	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_148	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_148	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_148	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_148	OCn1nc(C)cc1C	C85264331
MACCS_148	OCCSCCCCCCCC	C3547339
MACCS_148	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_148	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_148	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_148	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_148	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_148	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_148	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_148	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_148	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_148	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_148	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_148	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_148	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_148	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_148	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_148	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_148	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_148	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_148	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_148	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_148	O=C1OC(CCCCC)CC1	C104610
MACCS_148	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_148	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_148	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_148	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_148	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_148	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_148	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_148	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_148	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_148	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_148	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_148	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_148	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_148	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_148	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_148	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_148	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_148	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_148	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_148	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_148	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_148	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_148	OC(CCCCC)C=C	C3391864
MACCS_148	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_148	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_148	Cc1ccc(C)c2c1cccc2	C571584
MACCS_148	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_148	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_148	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_148	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_148	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_148	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_148	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_148	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_148	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_148	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_148	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_148	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_148	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_148	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_148	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_148	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_148	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_148	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_148	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_148	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_148	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_148	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_148	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_148	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_148	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_148	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_148	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_148	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_148	O=C(CC)OCC	C105373
MACCS_148	O=C(c1ccccc1O)C	C118934
MACCS_148	O=C1OCC(CC)O1	C4437858
MACCS_148	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_148	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_148	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_148	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_148	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_148	Nc1ccc(CCCCC)cc1	C33228443
MACCS_148	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_148	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_148	O=C(OCC)c1c(C)cccc1	C87241
MACCS_148	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_148	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_148	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_148	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_148	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_148	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_148	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_148	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_148	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_148	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_148	CC(C)C1=CCC(=CC1)C	C99854
MACCS_148	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_148	CC1=CC=C(C(C)C)CC1	C99865
MACCS_148	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_148	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_148	CC(O)COCC	C1569024
MACCS_148	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_148	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_148	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_148	Oc1ccccc1CN(C)C	C120650
MACCS_148	O=C1CCC(O1)CC	C695067
MACCS_148	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_148	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_148	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_148	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_148	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_148	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_148	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_148	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_148	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_148	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_148	OC(CCCC(C)C)(C)C	C13254347
MACCS_148	O=C/C=C/CCC	C6728263
MACCS_148	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_148	OC(CC(C)C)(C)C#C	C107540
MACCS_148	O=C(C)OCC/C=C\CC	C3681718
MACCS_148	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_148	CCC(c1ccccc1)CCC	C4468422
MACCS_148	O=CCC/C=C\CCCCC	C21662099
MACCS_148	O=c1ccoc(CC)c1O	C4940118
MACCS_148	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_148	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_148	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_148	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_148	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_148	O=C(CCC)OCCCCC	C540181
MACCS_148	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_148	O=C(C)OC(C)c1ccccc1	C93925
MACCS_148	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_148	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_148	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_148	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_148	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_148	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_148	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_148	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_148	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_148	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_148	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_148	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_148	OC1CC(C)(C)CC(C)C1	C116029
MACCS_148	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_148	OP(OCC)OCC	C762049
MACCS_148	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_148	OCCOCC(CC)CCCC	C1559359
MACCS_148	O=C(CC)CCCCC	C106683
MACCS_148	OCCN(CC)CCO	C139877
MACCS_148	CCOC(OCC)OCC	C122510
MACCS_148	CCO[Si](OCC)(OCC)CC	C78079
MACCS_148	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_148	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_148	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_148	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_148	O=C(CCC)OCCCCCCC	C5870939
MACCS_148	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_148	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_148	Oc1cc(C(C)C)ccc1C	C499752
MACCS_148	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_148	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_148	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_148	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_148	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_148	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_148	S=C(NC)NC	C534134
MACCS_148	OC(C)C(=O)OCCCC	C138227
MACCS_148	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_148	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_148	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_148	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_148	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_148	Oc1c(OCC)cccc1	C94713
MACCS_148	Oc1ccc(C(C)C)cc1	C99898
MACCS_148	COc1ccc(CCC)cc1	C104450
MACCS_148	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_148	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_148	CO[Si](C)(C)OC	C1112396
MACCS_148	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_148	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_148	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_148	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_148	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_148	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_148	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_148	CCO[Si](OCC)(C)OCC	C2031676
MACCS_148	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_148	CO[Si](OC)(CCC)OC	C1067250
MACCS_148	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_148	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_148	O=C(C)OCCCCCCCC	C112141
MACCS_148	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_148	NNC(=S)NC	C6610293
MACCS_148	Oc1c(C(C)C)cccc1	C88697
MACCS_148	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_148	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_148	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_148	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_148	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_148	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_148	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_148	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_148	Oc1cc(C(C)C)ccc1	C618451
MACCS_148	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_148	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_148	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_148	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_148	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_148	OCC(CCCC)CCCCCC	C3913028
MACCS_148	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_148	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_148	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_148	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_148	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_148	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_148	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_148	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_148	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_148	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_148	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_148	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_148	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_148	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_148	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_148	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_148	Oc1ccc(CCCC)cc1	C1638228
MACCS_148	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_148	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_148	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_148	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_148	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_148	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_148	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_148	OCCOCC(C)OCCO	C9003116
MACCS_148	O=C1OC(CCC)CC1	C105215
MACCS_148	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_148	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_148	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_148	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_148	Nc1ccc(CCC)cc1	C2696846
MACCS_148	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_148	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_148	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_148	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_148	Sc1ccc(C)cc1	C106456
MACCS_148	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_148	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_148	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_148	Clc1ccc(CCCC)cc1	C15499271
MACCS_148	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_148	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_148	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_148	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_148	O=C1CCC(CCC)CC1	C40649363
MACCS_148	Nc1ccc(cc1)OCCCC	C4344552
MACCS_148	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_148	O=C(c1ccccc1)C(C)C	C611701
MACCS_148	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_148	OC1CCC(CCCC)CC1	C70568604
MACCS_148	Clc1ccc(CCCCC)cc1	C79098207
MACCS_148	O=C(OC)c1c(C)cccc1	C89714
MACCS_148	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_148	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_148	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_148	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_148	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_148	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_148	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_148	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_148	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_148	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_148	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_148	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_148	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_148	C[As](=O)(C)O	C75605
MACCS_148	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_148	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_148	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_148	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_148	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_148	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_148	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_148	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_148	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_148	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_148	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_148	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_148	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_148	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_148	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_148	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_148	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_148	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_148	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_148	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_148	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_148	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_148	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_148	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_148	CSC(=NOC(=O)NC)C	C16752775
MACCS_148	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_148	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_148	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_148	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_148	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_148	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_148	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_148	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_148	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_148	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_148	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_148	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_148	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_148	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_148	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_148	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_148	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_148	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_148	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_148	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_148	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_148	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_148	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_148	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_148	CCCN(CCC)C(=O)SCC	C759944
MACCS_148	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_148	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_148	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_148	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_148	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_148	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_148	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_148	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_148	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_148	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_148	NP(=O)(OC)SC	C10265926
MACCS_148	OCCOC	C109864
MACCS_148	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_148	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_148	O=C(SCC)N1CCCCCC1	C2212671
MACCS_148	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_148	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_148	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_148	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_148	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_148	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_148	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_148	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_148	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_148	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_148	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_148	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_148	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_148	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_148	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_148	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_148	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_148	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_148	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_148	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_148	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_148	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_148	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_148	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_148	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_148	CN1CN(C)CSC1=S	C533744
MACCS_148	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_148	S=C=NC	C556616
MACCS_148	O=C(NCCCC)OCC#CI	C55406536
MACCS_148	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_148	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_148	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_148	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_148	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_148	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_148	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_148	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_148	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_148	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_148	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_148	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_148	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_148	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_148	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_148	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_148	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_148	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_148	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_148	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_148	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_148	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_148	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_148	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_148	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_148	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_148	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_148	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_148	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_148	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_148	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_148	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_148	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_148	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_148	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_148	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_148	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_148	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_148	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_148	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_148	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_148	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_148	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_148	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_148	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_148	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_148	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_148	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_148	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_148	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_148	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_148	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_148	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_148	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_148	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_148	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_148	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_148	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_148	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_148	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_148	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_148	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_148	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_148	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_148	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_148	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_148	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_148	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_148	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_148	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_148	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_148	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_148	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_148	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_148	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_148	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_148	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_148	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_148	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_148	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_148	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_148	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_148	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_148	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_148	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_148	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_148	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_148	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_148	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_148	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_148	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_148	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_148	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_148	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_148	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_148	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_148	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_148	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_148	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_148	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_148	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_148	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_148	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_148	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_148	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_148	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_148	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_148	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_148	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_148	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_148	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_148	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_148	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_148	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_148	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_148	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_148	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_148	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_148	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_148	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_148	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_148	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_148	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_148	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_148	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_148	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_148	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_148	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_148	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_148	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_148	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_148	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_148	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_148	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_148	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_148	Nc1cc(ccc1OC)C	C120718
MACCS_148	Nc1c(ccc(c1)N)C	C95807
MACCS_148	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_148	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_148	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_148	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_148	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_148	CN(c1ccccc1)C	C121697
MACCS_148	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
MACCS_148	O=C(N(C)C)Cl	C79447
MACCS_148	CN(C=O)C	C68122
MACCS_148	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_148	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_148	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_148	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_148	CCC(CCCC)CO	C104767
MACCS_148	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_148	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_148	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_148	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_148	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_148	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_148	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_148	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_148	[nH]1c(=S)n(cc1)C	C60560
MACCS_148	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_148	CS(=O)(=O)OC	C66273
MACCS_148	O=C1N(CCC1)C	C872504
MACCS_148	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_148	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_148	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_148	Cc1c2c(ccc1)cccc2	C90120
MACCS_148	Cc1cc2cccnc2cc1	C91623
MACCS_148	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_148	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_148	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_148	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_148	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_148	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_148	O=NN(CCCC)CCCC	C924163
MACCS_148	CCN(CC)N=O	C55185
MACCS_148	O=NN(CCC)CCC	C621647
MACCS_148	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_148	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_148	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_148	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_148	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_148	CC(CO)O	C57556
MACCS_148	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_148	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_148	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_148	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_148	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_148	OC(=O)C=CC=CC	C110441
MACCS_148	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_148	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_148	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_148	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_148	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_148	Cc1c(ccc(c1)C)C	C95636
MACCS_148	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_148	NC(=O)OCC	C51796
MACCS_148	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_148	OC(=O)CCC	C107926
MACCS_148	CCCCOCCOCCO	C112345
MACCS_148	CCCCCCCCCC(=O)O	C334485
MACCS_148	CC(Cl)(Cl)C(=O)O	C75990
MACCS_148	O=C(O)CCCCCC	C111148
MACCS_148	CCCCCC(=O)O	C142621
MACCS_148	CCCCCCCCC(=O)O	C112050
MACCS_148	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_148	CCCCCCCC=O	C124130
MACCS_148	CCCCCCCC(=O)O	C124072
MACCS_148	CCCCC=O	C110623
MACCS_148	CCCCCCCCCCC	C1120214
MACCS_148	Oc1cc(C)c(Cl)cc1	C59507
MACCS_148	CC1(C)NC(=O)NC1=O	C77714
MACCS_148	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_148	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_148	CCN(CC)c1ccccc1	C91667
MACCS_148	Oc1c(C)cccc1	C95487
MACCS_148	CCC(=NO)C	C96297
MACCS_148	c1ccccc1C(=O)C	C98862
MACCS_148	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_148	CN(C)c1ccc(C)cc1	C99978
MACCS_148	CCN(CCO)CC	C100378
MACCS_148	CCNc1cc(C)ccc1	C102272
MACCS_148	Oc1c(C)cc(C)cc1	C105679
MACCS_148	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_148	Oc1ccc(C)cc1	C106445
MACCS_148	Nc1ccc(C)cc1	C106490
MACCS_148	CC(=O)OCCOCC	C111159
MACCS_148	CCCCCCCCO	C111875
MACCS_148	CCOCCOCCO	C111900
MACCS_148	CCCCCCCCCCO	C112301
MACCS_148	CCCCCCCCCCCCCO	C112709
MACCS_148	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_148	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_148	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_148	Oc1c(C)cc(C)cc1C	C527606
MACCS_148	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_148	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_148	Oc1c(C)c(C)ccc1C	C2416946
MACCS_148	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_148	c1(c(O)cccc1)C(CC)C	C89725
MACCS_148	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_148	Oc1ccc(C=CC)cc1OC	C97541
MACCS_148	c1(CCCC)ccccc1	C104518
MACCS_148	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_148	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_148	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_148	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_148	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_148	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_148	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_148	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_148	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_148	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_148	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_148	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_148	C(=O)(O)C(CCC)CCC	C99661
MACCS_148	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_148	O=N(=O)c1ccc(C)cc1	C99990
MACCS_148	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_148	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_148	Nc1c(OC)cccc1	C90040
MACCS_148	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_148	Cc1ccccc1Cl	C95498
MACCS_148	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_148	O=S(=O)(OCC)OCC	C64675
MACCS_148	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_148	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_148	O=S(=O)(OC)OC	C77781
MACCS_148	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_148	Oc1cc(C)c(C)cc1	C95658
MACCS_148	Oc1c(cccc1C)C	C576261
MACCS_148	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_148	CCOCCO	C110805
MACCS_148	CCCCOCCO	C111762
MACCS_148	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_148	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_148	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_148	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_148	OCCOCCOCCOCC	C112505
MACCS_148	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_148	ON=CC(C)(C)SC	C1646759
MACCS_148	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_148	Oc1c(ccc(N)c1)C	C2835952
MACCS_148	O(CCOC)CCOC	C111966
MACCS_148	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_148	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_148	Cc1ccc(Cl)cc1	C106434
MACCS_148	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_148	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_148	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_148	O(O)C(c1ccccc1)(C)C	C80159
MACCS_148	C(CCCCCCCC)C	C124185
MACCS_148	Nc1cc(C)ccc1N	C496720
MACCS_148	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_148	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_148	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_148	O(CCOC)CCO	C111773
MACCS_148	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_148	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_148	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_148	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_148	COC(=O)CCCC(=O)OC	C1119400
MACCS_148	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_148	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_148	Oc1c(ccc(C)c1)C	C95874
MACCS_148	C(=O)(OC)CCC(=O)OC	C106650
MACCS_148	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_148	N(c1ccccc1)CC	C103695
MACCS_148	O=C(O)C(CCCC)CC	C149575
MACCS_148	C(CC(C)C)OC(=O)C	C123922
MACCS_148	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_148	o1c(C)c(O)c(=O)cc1	C118718
MACCS_148	O=C(OC)c1c(N)cccc1	C134203
MACCS_148	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_148	O=C(OC)c1c(O)cccc1	C119368
MACCS_148	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_148	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_148	O=c1ccsn1CCCCCCCC	C26530201
MACCS_148	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_148	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_148	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_148	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_148	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_148	Nc1c(cccc1)C	C95534
MACCS_148	N(CCCC)(CCCC)CCCC	C102829
MACCS_148	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_148	C(OCCOC)COCCOC	C112492
MACCS_148	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_148	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_148	Nc1c(cccc1C)C	C87627
MACCS_148	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_148	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_148	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_148	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_148	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_148	CC(C)c1ccc(C)cc1	C99876
MACCS_148	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_148	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_148	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_148	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_148	OCCC(C)CCC=C(C)C	C106229
MACCS_148	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_148	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_148	OCCC(O)C	C107880
MACCS_148	OC(CC(C)C)C	C108112
MACCS_148	Nc1cccc(C)c1	C108441
MACCS_148	Cc1cc(C)cc(C)c1	C108678
MACCS_148	O=C(OC)CCCCCCC	C111115
MACCS_148	O=C(OC)CCCCCCCCCCC	C111820
MACCS_148	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_148	OCCOCCCCCC	C112254
MACCS_148	OCCCCCCCCCCC	C112425
MACCS_148	OCCCCCCCCCCCC	C112538
MACCS_148	OCCCCCCCCCCCCCC	C112721
MACCS_148	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_148	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_148	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_148	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_148	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_148	CCCCCCCCCCCCCCCC	C544763
MACCS_148	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_148	Nc1c(CC)cccc1CC	C579668
MACCS_148	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_148	O=C(C)OCCCCC	C628637
MACCS_148	CCCCCCCCCCCCCCC	C629629
MACCS_148	OCCCCCCCCCCCCCCC	C629765
MACCS_148	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_148	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_148	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_148	Nc1cccc(C)c1N	C2687254
MACCS_148	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_148	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_148	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_148	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_148	OC(OC(O)CC)CC	C25265718
MACCS_148	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_148	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_148	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_148	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_148	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_148	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_148	OC(OCCCOC)CC	C34590948
MACCS_148	OCCCCCCCCCCCCCCCC	C36653824
MACCS_148	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_148	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_148	O=C(OC)CC(=O)OC	C108598
MACCS_148	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_148	CCC12N(COC1)COC2	C7747355
MACCS_148	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_148	O=C(N)C(=C)C	C79390
MACCS_148	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_148	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_148	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_148	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_148	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_148	S=P(OCC)(OCC)SCSCC	C298022
MACCS_148	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_148	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_148	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_148	O=c1n(C)sc(Cl)c1	C26172554
MACCS_148	O=C1CCC(O1)CCCCCCC	C104676
MACCS_148	Oc1cc(C)ccc1C(C)C	C89838
MACCS_148	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_148	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_148	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_148	CCCCCCCCN(C)C	C7378996
MACCS_148	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_148	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_148	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_148	O=C(OCC)CCC(=O)OCC	C123251
MACCS_148	O=C(CCC)OCC	C105544
MACCS_148	O=C(OCC)CCCCCC	C106309
MACCS_148	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_148	O=C(OCCCC)c1ccccc1	C136607
MACCS_148	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_148	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_148	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_148	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_148	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_148	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_148	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_148	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_148	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_148	O=C(CCC)OCCC(C)C	C106274
MACCS_148	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_148	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_148	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_148	CCCc1ccccc1	C103651
MACCS_148	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_148	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_148	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_148	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_148	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_148	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_148	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_148	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_148	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_148	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_148	CC(C)(C)c1ccccc1	C98066
MACCS_148	O=C(C)NC	C79163
MACCS_148	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_148	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_148	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_148	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_148	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_148	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_148	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_148	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_148	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_148	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_148	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_148	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_148	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_148	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_148	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_148	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_148	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_148	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_148	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_148	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_148	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_148	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_148	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_148	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_148	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_148	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_148	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_148	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_148	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_148	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_148	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_148	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_148	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_148	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_148	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_148	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_148	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_148	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_148	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_148	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_148	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_148	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_148	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_148	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_148	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_148	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_148	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_148	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_148	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_148	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_148	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_148	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_148	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_148	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_148	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_148	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_148	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_148	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_148	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_148	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_148	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_148	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_148	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_148	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_148	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_148	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_148	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_148	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_148	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_148	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_148	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_148	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_148	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_148	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_148	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_148	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_148	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_148	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_148	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_148	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_148	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_148	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_148	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_148	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_148	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_148	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_148	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_148	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_148	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_148	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_148	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_148	C=CCCCCCCCCCCCC	C1120361
MACCS_148	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_148	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_148	OC(C(CC)CCCC)C#C	C5877429
MACCS_148	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_148	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_148	C(=O)(C)O	C64197
MACCS_148	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_148	C(CO)C(C)C	C123513
MACCS_148	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_148	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_148	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_148	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_148	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_148	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_148	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_148	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_148	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_148	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_148	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_148	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_148	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_148	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_148	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_148	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_148	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_148	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_148	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_148	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_148	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_148	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_148	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_148	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_148	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_148	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_148	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_148	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_148	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_148	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_148	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_148	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_148	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_148	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_148	OCCC(OC)C	C2517433
MACCS_148	S=C(NCCCC)NCCCC	C109466
MACCS_148	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_148	O=CCC(C)CCC=C(C)C	C106230
MACCS_148	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_148	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_148	O=COCC	C109944
MACCS_148	O=C(OCC)c1ccccc1	C93890
MACCS_148	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_148	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_148	O=CCCSC	C3268493
MACCS_148	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_148	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_148	N(CCN(C)C)(C)C	C110189
MACCS_148	CCN(CC)CC	C121448
MACCS_148	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_148	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_148	CC(=O)OCC	C141786
MACCS_148	CC(=O)OCCCC	C123864
MACCS_148	CC(=O)CCC(C)C	C110123
MACCS_148	n1cc(C)ccc1	C108996
MACCS_148	CC(=O)CC(C)C	C108101
MACCS_148	CC(C)C=O	C78842
MACCS_148	CCCCCC=O	C66251
MACCS_148	CCCC=O	C123728
MACCS_148	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_148	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_148	CCC1CO1	C106887
MACCS_148	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_148	CC1CC(=O)O1	C3068880
MACCS_148	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_148	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_148	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_148	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_148	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_148	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_148	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_148	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_148	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_148	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_148	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_148	CC(c1ccc(CO)cc1)C	C536607
MACCS_148	CC(=O)C(=O)O	C127173
MACCS_148	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_148	CN(C)c1ccc(C=O)cc1	C100107
MACCS_148	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_148	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_148	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_148	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_148	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_148	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_148	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_148	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_148	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_148	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_148	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_148	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_148	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_148	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_148	Nc1ccc(OC)cc1	C104949
MACCS_148	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_148	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_148	O=CC=CC=CCCCCC	C25152845
MACCS_148	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_148	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_148	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_148	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_148	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_148	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_148	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_148	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_148	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_148	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_148	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_148	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_148	OCC=C(C)C	C556821
MACCS_148	ClC(=O)C(CC)CCCC	C760678
MACCS_148	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_148	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_148	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_148	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_148	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_148	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_148	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_148	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_148	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_148	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_148	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_148	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_148	O=c1cc(C)o[nH]1	C10004441
MACCS_148	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_148	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_148	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_148	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_148	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_148	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_148	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_148	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_148	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_148	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_148	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_148	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_148	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_148	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_148	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_148	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_148	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_148	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_148	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_148	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_148	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_148	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_148	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_148	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_148	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_148	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_148	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_148	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_148	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_148	Br[Sn](CC)(CC)CC	C2767546
MACCS_148	O=P(OCCCC)(O)OCCCC	C107664
MACCS_148	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_148	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_148	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_148	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_148	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_148	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_148	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_148	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_148	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_148	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_148	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_148	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_148	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_148	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_148	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_148	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_148	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_148	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_148	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_148	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_148	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_148	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_148	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_148	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_148	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_148	N#CSCCCCCCCCCCCC	C765151
MACCS_148	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_148	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_148	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_148	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_148	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_148	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_148	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_148	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_148	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_148	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_148	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_148	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_148	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_148	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_148	CCCCCCCCCCCCN.Cl	C929737
MACCS_148	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_148	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_148	BrCCCCCCCCCCCC	C143157
MACCS_148	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_148	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_148	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_148	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_148	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_148	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_148	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_148	O=C(OC)CCCC(=O)O	C1501275
MACCS_148	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_148	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_148	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_148	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_148	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_148	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_148	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_148	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_148	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_148	NCCCOCCCCCCCC	C15930662
MACCS_148	Nc1cccc(C)n1	C1824813
MACCS_148	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_148	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_148	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_148	CC1COc2ccccc2N1	C32329207
MACCS_148	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_148	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_148	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_148	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_148	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_148	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_148	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_148	O=C/C=C/CCCCCCC	C3913813
MACCS_148	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_148	COC(OC)C(C)c1ccccc1	C90879
MACCS_148	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_148	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_148	S=C=NCCCSC	C505793
MACCS_148	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_148	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_148	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_148	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_148	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_148	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_148	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_148	CC/C=C\CCOC(OCC)C	C28069741
MACCS_148	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_148	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_148	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_148	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_148	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_148	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_148	CCCCCCCCCC(C)C=O	C110418
MACCS_148	O=COCc1ccc(OC)cc1	C122918
MACCS_148	CCCCCc1ccco1	C3777693
MACCS_148	CCC(=O)C(=O)CC	C4437518
MACCS_148	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_148	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_149	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_149	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_149	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_149	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_149	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_149	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_149	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_149	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_149	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_149	Clc1c(ccc(c1)N)C	C95749
MACCS_149	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_149	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_149	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_149	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_149	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_149	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_149	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_149	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_149	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_149	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_149	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_149	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_149	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_149	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_149	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_149	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_149	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_149	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_149	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_149	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_149	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_149	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_149	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_149	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_149	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_149	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_149	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_149	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_149	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_149	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_149	Nc1ccccc1C.Cl	C636215
MACCS_149	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_149	c1(O)ccccc1C(=O)N	C65452
MACCS_149	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_149	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_149	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_149	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_149	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_149	O=Cc1ccccc1O	C90028
MACCS_149	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_149	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_149	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_149	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_149	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_149	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_149	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_149	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_149	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_149	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_149	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_149	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_149	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_149	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_149	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_149	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_149	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_149	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_149	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_149	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_149	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_149	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_149	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_149	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_149	c1(c(CC)cccc1)O	C90006
MACCS_149	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_149	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_149	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_149	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_149	c1cccc(OC)c1O	C90051
MACCS_149	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_149	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_149	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_149	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_149	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_149	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_149	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_149	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_149	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_149	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_149	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_149	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_149	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_149	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_149	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_149	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_149	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_149	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_149	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_149	Oc1cc(Cl)ccc1Cl	C583788
MACCS_149	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_149	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_149	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_149	Cc1c(C)cccc1O	C526750
MACCS_149	C=Cc1ccccc1C=C	C1321740
MACCS_149	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_149	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_149	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_149	O=C(OCC)c1c(N)cccc1	C87252
MACCS_149	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_149	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_149	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_149	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_149	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_149	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_149	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_149	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_149	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_149	O=C(O)c1ccccc1O	C69727
MACCS_149	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_149	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_149	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_149	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_149	Nc1cccc(C)c1C	C1300738
MACCS_149	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_149	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_149	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_149	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_149	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_149	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_149	Nc1c(C)cccc1CC	C24549062
MACCS_149	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_149	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_149	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_149	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_149	Cc1cc(C)c(C)cc1C	C95932
MACCS_149	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_149	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_149	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_149	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_149	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_149	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_149	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_149	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_149	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_149	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_149	OC1CC(CCC1C(C)C)C	C1490046
MACCS_149	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_149	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_149	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_149	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_149	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_149	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_149	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_149	OCn1nc(C)cc1C	C85264331
MACCS_149	Clc1c(Cl)ssc1=O	C1192525
MACCS_149	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_149	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_149	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_149	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_149	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_149	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_149	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_149	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_149	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_149	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_149	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_149	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_149	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_149	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_149	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_149	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_149	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_149	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_149	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_149	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_149	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_149	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_149	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_149	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_149	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_149	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_149	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_149	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_149	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_149	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_149	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_149	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_149	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_149	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_149	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_149	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_149	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_149	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_149	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_149	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_149	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_149	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_149	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_149	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_149	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_149	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_149	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_149	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_149	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_149	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_149	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_149	O=C(c1ccccc1O)C	C118934
MACCS_149	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_149	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_149	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_149	O=C(OCC)c1c(C)cccc1	C87241
MACCS_149	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_149	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_149	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_149	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_149	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_149	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_149	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_149	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_149	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_149	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_149	Oc1ccccc1CN(C)C	C120650
MACCS_149	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_149	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_149	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_149	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_149	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_149	O=c1ccoc(CC)c1O	C4940118
MACCS_149	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_149	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_149	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_149	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_149	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_149	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_149	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_149	N#Cc1c(O)cccc1	C611201
MACCS_149	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_149	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_149	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_149	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_149	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_149	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_149	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_149	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_149	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_149	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_149	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_149	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_149	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_149	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_149	Oc1cc(C(C)C)ccc1C	C499752
MACCS_149	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_149	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_149	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_149	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_149	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_149	Oc1c(OCC)cccc1	C94713
MACCS_149	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_149	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_149	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_149	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_149	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_149	Oc1c(C(C)C)cccc1	C88697
MACCS_149	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_149	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_149	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_149	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_149	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_149	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_149	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_149	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_149	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_149	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_149	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_149	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_149	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_149	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_149	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_149	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_149	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_149	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_149	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_149	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_149	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_149	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_149	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_149	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_149	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_149	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_149	O=C(OC)c1c(C)cccc1	C89714
MACCS_149	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_149	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_149	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_149	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_149	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_149	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_149	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_149	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_149	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_149	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_149	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_149	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_149	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_149	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_149	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_149	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_149	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_149	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_149	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_149	Oc1c(cccc1)c1ccccc1	C90437
MACCS_149	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_149	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_149	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_149	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_149	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_149	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_149	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_149	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_149	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_149	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_149	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_149	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_149	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_149	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_149	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_149	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_149	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_149	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_149	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_149	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_149	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_149	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_149	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_149	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_149	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_149	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_149	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_149	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_149	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_149	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_149	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_149	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_149	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_149	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_149	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_149	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_149	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_149	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_149	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_149	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_149	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_149	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_149	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_149	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_149	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_149	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_149	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_149	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_149	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_149	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_149	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_149	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_149	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_149	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_149	CN1CN(C)CSC1=S	C533744
MACCS_149	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_149	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_149	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_149	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_149	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_149	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_149	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_149	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_149	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_149	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_149	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_149	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_149	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_149	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_149	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_149	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_149	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_149	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_149	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_149	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_149	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_149	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_149	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_149	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_149	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_149	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_149	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_149	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_149	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_149	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_149	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_149	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_149	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_149	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_149	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_149	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_149	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_149	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_149	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_149	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_149	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_149	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_149	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_149	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_149	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_149	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_149	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_149	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_149	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_149	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_149	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_149	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_149	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_149	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_149	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_149	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_149	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_149	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_149	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_149	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_149	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_149	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_149	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_149	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_149	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_149	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_149	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_149	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_149	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_149	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_149	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_149	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_149	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_149	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_149	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_149	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_149	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_149	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_149	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_149	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_149	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_149	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_149	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_149	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_149	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_149	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_149	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_149	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_149	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_149	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_149	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_149	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_149	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_149	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_149	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_149	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_149	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_149	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_149	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_149	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_149	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_149	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_149	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_149	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_149	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_149	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_149	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_149	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_149	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_149	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_149	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_149	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_149	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_149	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_149	Oc1c(cccc1)O	C120809
MACCS_149	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_149	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_149	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_149	Nc1c(ccc(c1)Cl)N	C95830
MACCS_149	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_149	Nc1cc(ccc1OC)C	C120718
MACCS_149	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_149	Nc1c(ccc(c1)N)C	C95807
MACCS_149	Clc1c(cccc1)Cl	C95501
MACCS_149	Clc1c(ccc(c1)Cl)O	C120832
MACCS_149	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_149	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_149	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_149	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_149	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_149	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_149	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_149	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_149	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_149	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_149	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_149	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_149	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_149	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_149	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_149	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_149	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_149	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_149	[nH]1c(=S)n(cc1)C	C60560
MACCS_149	O=C1N(CCC1)C	C872504
MACCS_149	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_149	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_149	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_149	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_149	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_149	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_149	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_149	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_149	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_149	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_149	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_149	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_149	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_149	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_149	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_149	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_149	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_149	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_149	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_149	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_149	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_149	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_149	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_149	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_149	Cc1c(ccc(c1)C)C	C95636
MACCS_149	O=C1N(C=C)CCC1	C88120
MACCS_149	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_149	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_149	Oc1ccccc1Cl	C95578
MACCS_149	Oc1cc(C)c(Cl)cc1	C59507
MACCS_149	CC1(C)NC(=O)NC1=O	C77714
MACCS_149	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_149	Oc1c(C)cccc1	C95487
MACCS_149	Oc1c(C)cc(C)cc1	C105679
MACCS_149	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_149	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_149	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_149	Oc1c(C)cc(C)cc1C	C527606
MACCS_149	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_149	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_149	Oc1c(C)c(C)ccc1C	C2416946
MACCS_149	c1(c(O)cccc1)C(CC)C	C89725
MACCS_149	Oc1ccc(C=CC)cc1OC	C97541
MACCS_149	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_149	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_149	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_149	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_149	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_149	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_149	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_149	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_149	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_149	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_149	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_149	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_149	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_149	Nc1c(OC)cccc1	C90040
MACCS_149	Cc1ccccc1Cl	C95498
MACCS_149	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_149	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_149	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_149	Oc1cc(C)c(C)cc1	C95658
MACCS_149	Oc1c(cccc1C)C	C576261
MACCS_149	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_149	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_149	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_149	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_149	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_149	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_149	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_149	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_149	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_149	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_149	Oc1c(ccc(N)c1)C	C2835952
MACCS_149	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_149	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_149	Nc1cc(C)ccc1N	C496720
MACCS_149	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_149	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_149	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_149	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_149	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_149	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_149	Oc1c(ccc(C)c1)C	C95874
MACCS_149	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_149	o1c(C)c(O)c(=O)cc1	C118718
MACCS_149	O=C(OC)c1c(N)cccc1	C134203
MACCS_149	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_149	O=C(OC)c1c(O)cccc1	C119368
MACCS_149	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_149	O=c1ccsn1CCCCCCCC	C26530201
MACCS_149	Nc1c(N)cccc1	C95545
MACCS_149	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_149	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_149	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_149	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_149	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_149	Nc1c(cccc1)C	C95534
MACCS_149	Clc1c(Cl)cccc1Cl	C87616
MACCS_149	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_149	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_149	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_149	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_149	Nc1c(cccc1C)C	C87627
MACCS_149	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_149	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_149	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_149	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_149	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_149	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_149	Nc1c(CC)cccc1CC	C579668
MACCS_149	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_149	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_149	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_149	Nc1cccc(C)c1N	C2687254
MACCS_149	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_149	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_149	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_149	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_149	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_149	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_149	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_149	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_149	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_149	O=Cc1ccccc1C=O	C643798
MACCS_149	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_149	O=c1n(C)sc(Cl)c1	C26172554
MACCS_149	Oc1cc(C)ccc1C(C)C	C89838
MACCS_149	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_149	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_149	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_149	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_149	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_149	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_149	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_149	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_149	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_149	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_149	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_149	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_149	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_149	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_149	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_149	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_149	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_149	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_149	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_149	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_149	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_149	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_149	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_149	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_149	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_149	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_149	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_149	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_149	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_149	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_149	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_149	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_149	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_149	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_149	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_149	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_149	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_149	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_149	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_149	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_149	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_149	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_149	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_149	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_149	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_149	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_149	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_149	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_149	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_149	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_149	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_149	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_149	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_149	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_149	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_149	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_149	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_149	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_149	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_149	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_149	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_149	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_149	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_149	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_149	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_149	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_149	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_149	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_149	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_149	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_149	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_149	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_149	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_149	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_149	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_149	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_149	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_149	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_149	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_149	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_149	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_149	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_149	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_149	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_149	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_149	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_149	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_149	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_149	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_149	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_149	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_149	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_149	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_149	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_149	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_149	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_149	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_149	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_149	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_149	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_149	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_149	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_149	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_149	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_149	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_149	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_149	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_149	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_149	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_149	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_149	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_149	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_149	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_149	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_149	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_149	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_149	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_149	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_149	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_149	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_149	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_149	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_149	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_149	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_149	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_149	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_149	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_149	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_149	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_149	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_149	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_149	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_149	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_149	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_149	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_149	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_149	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_149	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_149	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_149	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_149	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_149	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_149	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_149	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_149	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_149	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_149	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_149	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_149	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_149	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_149	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_149	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_149	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_149	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_149	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_149	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_149	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_149	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_149	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_149	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_149	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_149	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_149	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_149	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_149	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_149	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_149	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_149	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_149	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_149	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_149	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_149	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_149	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_149	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_149	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_149	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_149	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_149	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_149	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_149	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_149	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_149	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_149	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_149	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_149	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_149	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_149	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_149	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_149	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_149	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_149	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_149	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_149	Brc1ccccc1c1ccccc1	C2052075
MACCS_149	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_149	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_149	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_149	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_149	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_149	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_149	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_149	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_149	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_149	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_149	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_149	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_149	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_149	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_149	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_149	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_149	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_149	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_149	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_149	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_149	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_149	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_149	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_149	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_149	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_149	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_149	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_149	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_149	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_149	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_149	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_149	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_149	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_149	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_149	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_149	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_149	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_149	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_149	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_149	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_149	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_149	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_149	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_149	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_149	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_149	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_149	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_149	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_149	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_149	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_149	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_149	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_149	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_149	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_149	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_149	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_149	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_149	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_149	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_149	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_149	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_149	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_149	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_149	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_149	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_149	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_149	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_149	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_149	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_149	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_149	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_149	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_149	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_149	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_149	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_149	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_149	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_149	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_149	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_149	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_149	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_149	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_149	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_149	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_149	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_149	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_149	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_149	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_149	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_149	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_149	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_149	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_149	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_149	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_149	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_150	CC(=O)N	C60355
MACCS_150	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_150	c1(nc[nH]n1)N	C61825
MACCS_150	Nc1ccccc1.Cl	C142041
MACCS_150	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_150	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_150	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_150	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_150	CC(CNCC(C)O)O	C110974
MACCS_150	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_150	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_150	Clc1c(ccc(c1)N)C	C95749
MACCS_150	NC(=N)NC#N	C461585
MACCS_150	S=C(NCC)NCC	C105555
MACCS_150	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_150	CN(C)N	C57147
MACCS_150	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_150	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_150	NC(=O)OC	C598550
MACCS_150	NC(=O)c1cccnc1	C98920
MACCS_150	CN(C(=O)N)N=O	C684935
MACCS_150	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_150	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_150	Nc1ccc(cc1)N	C106503
MACCS_150	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_150	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_150	NC(=S)N	C62566
MACCS_150	Nc1ccccc1C.Cl	C636215
MACCS_150	c1(O)ccccc1C(=O)N	C65452
MACCS_150	OC(C)CN	C78966
MACCS_150	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_150	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_150	OCCN1CCNCC1	C103764
MACCS_150	Nc1ccc(CCCC)cc1	C104132
MACCS_150	CCNCCO	C110736
MACCS_150	CCCCCCCCCCCCN	C124221
MACCS_150	NCCN1CCNCC1	C140318
MACCS_150	CCCCCCCCCCN	C2016571
MACCS_150	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_150	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_150	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_150	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_150	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_150	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_150	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_150	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_150	NC(CO)(CO)CO	C77861
MACCS_150	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_150	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_150	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_150	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_150	CNC	C124403
MACCS_150	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_150	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_150	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_150	O=C(N)N=NC(=O)N	C123773
MACCS_150	C(C)(C)(C)N	C75649
MACCS_150	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_150	C(CCN)CCCN	C124094
MACCS_150	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_150	N(CCN)CCN	C111400
MACCS_150	N(CCCN)(C)C	C109557
MACCS_150	OCNC(=O)NCO	C140954
MACCS_150	O=C(OCC)c1c(N)cccc1	C87252
MACCS_150	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_150	C1COCCN1	C110918
MACCS_150	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_150	O(c1ccc(N)cc1)CC	C156434
MACCS_150	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_150	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_150	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_150	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_150	N1CCCCCC1	C111499
MACCS_150	OCC(N)(C)C	C124685
MACCS_150	O=C1NCCC1	C616455
MACCS_150	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_150	O=C(N)[O-].[NH4+]	C1111780
MACCS_150	Nc1cccc(C)c1C	C1300738
MACCS_150	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_150	NNC(=S)NN	C2231574
MACCS_150	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_150	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_150	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_150	Nc1c(C)cccc1CC	C24549062
MACCS_150	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_150	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_150	[S-]C(=S)NC.[Na+]	C137428
MACCS_150	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_150	N#C[S-].[NH4+]	C1762954
MACCS_150	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_150	O=C1NC2NC(=O)NC2N1	C496468
MACCS_150	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_150	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_150	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_150	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_150	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_150	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_150	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_150	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_150	O=S(=O)(N)O	C5329146
MACCS_150	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_150	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_150	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_150	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_150	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_150	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_150	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_150	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_150	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_150	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_150	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_150	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_150	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_150	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_150	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_150	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_150	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_150	Nc1ccc(CCCCC)cc1	C33228443
MACCS_150	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_150	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_150	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_150	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_150	O=C(Nc1ccccc1)CCl	C587655
MACCS_150	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_150	NCCCN1CCOCC1	C123002
MACCS_150	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_150	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_150	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_150	S=C(NC)NC	C534134
MACCS_150	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_150	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_150	O=C(N)Nc1ccccc1	C64108
MACCS_150	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_150	NNC(=S)NC	C6610293
MACCS_150	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_150	NCCN.I.I	C5700492
MACCS_150	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_150	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_150	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_150	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_150	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_150	Nc1ccc(CCC)cc1	C2696846
MACCS_150	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_150	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_150	Nc1ccc(cc1)OCCCC	C4344552
MACCS_150	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_150	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_150	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_150	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_150	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_150	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_150	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_150	S=C1NCCN1	C96457
MACCS_150	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_150	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_150	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_150	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_150	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_150	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_150	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_150	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_150	c1ccccc1Nc1ccccc1	C122394
MACCS_150	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_150	CSC(=NOC(=O)NC)C	C16752775
MACCS_150	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_150	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_150	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_150	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_150	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_150	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_150	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_150	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_150	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_150	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_150	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_150	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_150	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_150	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_150	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_150	NP(=O)(OC)SC	C10265926
MACCS_150	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_150	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_150	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_150	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_150	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_150	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_150	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_150	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_150	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_150	O=C(NCCCC)OCC#CI	C55406536
MACCS_150	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_150	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_150	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_150	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_150	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_150	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_150	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_150	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_150	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_150	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_150	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_150	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_150	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_150	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_150	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_150	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_150	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_150	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_150	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_150	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_150	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_150	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_150	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_150	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_150	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_150	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_150	N#CN	C420042
MACCS_150	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_150	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_150	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_150	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_150	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_150	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_150	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_150	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_150	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_150	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_150	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_150	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_150	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_150	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_150	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_150	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_150	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_150	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_150	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_150	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_150	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_150	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_150	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_150	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_150	NC(=O)C=C	C79061
MACCS_150	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_150	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_150	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_150	O=C1CCCCCN1	C105602
MACCS_150	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_150	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_150	Nc1c(ccc(c1)Cl)N	C95830
MACCS_150	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_150	Nc1ccc(cc1)Cl	C106478
MACCS_150	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_150	Nc1cc(ccc1OC)C	C120718
MACCS_150	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_150	Nc1c(ccc(c1)N)C	C95807
MACCS_150	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_150	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_150	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_150	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_150	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_150	O=C(c1ccncc1)NN	C54853
MACCS_150	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_150	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_150	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_150	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_150	Nc1cc2c(cccc2)cc1	C91598
MACCS_150	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_150	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_150	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_150	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_150	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_150	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_150	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_150	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_150	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_150	Nc1cc(ccc1)N	C108452
MACCS_150	C1CNCCN1	C110850
MACCS_150	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_150	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_150	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_150	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_150	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_150	C(=O)(N)N	C57136
MACCS_150	NC(=O)OCC	C51796
MACCS_150	CC1(C)NC(=O)NC1=O	C77714
MACCS_150	CCNc1cc(C)ccc1	C102272
MACCS_150	Nc1ccc(C)cc1	C106490
MACCS_150	OCCNCCO	C111422
MACCS_150	OCCN	C141435
MACCS_150	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_150	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_150	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_150	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_150	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_150	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_150	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_150	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_150	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_150	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_150	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_150	Nc1c(OC)cccc1	C90040
MACCS_150	NC1CCCCC1	C108918
MACCS_150	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_150	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_150	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_150	O=C(O)c1ccc(N)cc1	C150130
MACCS_150	Oc1c(ccc(N)c1)C	C2835952
MACCS_150	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_150	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_150	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_150	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_150	Nc1cc(C)ccc1N	C496720
MACCS_150	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_150	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_150	N(c1ccccc1)CC	C103695
MACCS_150	C(=O)(N)NO	C127071
MACCS_150	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_150	O=C(OC)c1c(N)cccc1	C134203
MACCS_150	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_150	Nc1c(N)cccc1	C95545
MACCS_150	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_150	Nc1c(cccc1)C	C95534
MACCS_150	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_150	Nc1c(cccc1C)C	C87627
MACCS_150	Nc1cccc(C)c1	C108441
MACCS_150	Nc1c(CC)cccc1CC	C579668
MACCS_150	Nc1cccc(C)c1N	C2687254
MACCS_150	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_150	O=C(N)C(=C)C	C79390
MACCS_150	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_150	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_150	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_150	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_150	Nn1cnnc1	C584134
MACCS_150	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_150	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_150	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_150	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_150	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_150	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_150	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_150	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_150	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_150	O=C(C)NC	C79163
MACCS_150	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_150	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_150	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_150	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_150	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_150	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_150	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_150	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_150	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_150	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_150	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_150	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_150	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_150	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_150	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_150	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_150	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_150	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_150	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_150	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_150	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_150	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_150	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_150	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_150	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_150	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_150	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_150	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_150	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_150	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_150	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_150	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_150	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_150	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_150	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_150	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_150	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_150	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_150	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_150	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_150	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_150	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_150	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_150	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_150	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_150	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_150	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_150	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_150	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_150	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_150	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_150	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_150	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_150	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_150	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_150	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_150	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_150	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_150	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_150	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_150	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_150	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_150	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_150	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_150	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_150	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_150	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_150	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_150	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_150	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_150	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_150	C(=O)N	C75127
MACCS_150	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_150	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_150	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_150	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_150	NCCOCCOCCN	C929599
MACCS_150	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_150	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_150	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_150	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_150	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_150	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_150	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_150	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_150	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_150	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_150	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_150	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_150	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_150	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_150	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_150	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_150	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_150	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_150	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_150	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_150	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_150	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_150	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_150	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_150	S=C(NCCCC)NCCCC	C109466
MACCS_150	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_150	NCc1cccc(CN)c1	C1477550
MACCS_150	NCCN	C107153
MACCS_150	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_150	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_150	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_150	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_150	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_150	Clc1ccc(N)cc1.Cl	C20265967
MACCS_150	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_150	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_150	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_150	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_150	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_150	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_150	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_150	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_150	NNc1ccccc1.Cl	C59881
MACCS_150	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_150	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_150	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_150	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_150	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_150	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_150	Nc1ccc(Br)cc1	C106401
MACCS_150	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_150	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_150	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_150	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_150	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_150	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_150	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_150	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_150	Nc1ccc(OC)cc1	C104949
MACCS_150	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_150	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_150	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_150	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_150	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_150	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_150	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_150	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_150	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_150	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_150	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_150	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_150	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_150	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_150	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_150	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_150	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_150	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_150	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_150	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_150	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_150	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_150	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_150	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_150	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_150	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_150	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_150	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_150	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_150	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_150	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_150	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_150	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_150	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_150	CCCCCCCCCCCCN.Cl	C929737
MACCS_150	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_150	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_150	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_150	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_150	NCCCOCCCCCCCC	C15930662
MACCS_150	Nc1cccc(C)n1	C1824813
MACCS_150	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_150	CC1COc2ccccc2N1	C32329207
MACCS_150	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_150	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_150	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_150	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_150	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_150	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_150	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_150	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_150	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_150	NNC(=O)OCc1ccccc1	C5331431
MACCS_150	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_150	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_150	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_151	CC(=O)N	C60355
MACCS_151	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_151	c1(nc[nH]n1)N	C61825
MACCS_151	Nc1ccccc1.Cl	C142041
MACCS_151	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_151	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_151	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_151	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_151	CC(CNCC(C)O)O	C110974
MACCS_151	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_151	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_151	Clc1c(ccc(c1)N)C	C95749
MACCS_151	NC(=N)NC#N	C461585
MACCS_151	S=C(NCC)NCC	C105555
MACCS_151	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_151	CN(C)N	C57147
MACCS_151	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_151	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_151	NC(=O)OC	C598550
MACCS_151	NC(=O)c1cccnc1	C98920
MACCS_151	CN(C(=O)N)N=O	C684935
MACCS_151	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_151	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_151	Nc1ccc(cc1)N	C106503
MACCS_151	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_151	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_151	NC(=S)N	C62566
MACCS_151	Nc1ccccc1C.Cl	C636215
MACCS_151	c1(O)ccccc1C(=O)N	C65452
MACCS_151	OC(C)CN	C78966
MACCS_151	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_151	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_151	OCCN1CCNCC1	C103764
MACCS_151	Nc1ccc(CCCC)cc1	C104132
MACCS_151	CCNCCO	C110736
MACCS_151	CCCCCCCCCCCCN	C124221
MACCS_151	NCCN1CCNCC1	C140318
MACCS_151	CCCCCCCCCCN	C2016571
MACCS_151	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_151	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_151	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_151	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_151	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_151	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_151	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_151	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_151	NC(CO)(CO)CO	C77861
MACCS_151	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_151	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_151	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_151	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_151	CNC	C124403
MACCS_151	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_151	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_151	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_151	O=C(N)N=NC(=O)N	C123773
MACCS_151	C(C)(C)(C)N	C75649
MACCS_151	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_151	C(CCN)CCCN	C124094
MACCS_151	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_151	N(CCN)CCN	C111400
MACCS_151	N(CCCN)(C)C	C109557
MACCS_151	OCNC(=O)NCO	C140954
MACCS_151	O=C(OCC)c1c(N)cccc1	C87252
MACCS_151	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_151	C1COCCN1	C110918
MACCS_151	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_151	O(c1ccc(N)cc1)CC	C156434
MACCS_151	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_151	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_151	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_151	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_151	N1CCCCCC1	C111499
MACCS_151	OCC(N)(C)C	C124685
MACCS_151	O=C1NCCC1	C616455
MACCS_151	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_151	O=C(N)[O-].[NH4+]	C1111780
MACCS_151	Nc1cccc(C)c1C	C1300738
MACCS_151	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_151	NNC(=S)NN	C2231574
MACCS_151	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_151	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_151	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_151	Nc1c(C)cccc1CC	C24549062
MACCS_151	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_151	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_151	[S-]C(=S)NC.[Na+]	C137428
MACCS_151	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_151	N#C[S-].[NH4+]	C1762954
MACCS_151	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_151	O=C1NC2NC(=O)NC2N1	C496468
MACCS_151	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_151	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_151	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_151	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_151	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_151	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_151	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_151	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_151	O=S(=O)(N)O	C5329146
MACCS_151	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_151	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_151	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_151	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_151	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_151	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_151	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_151	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_151	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_151	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_151	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_151	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_151	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_151	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_151	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_151	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_151	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_151	Nc1ccc(CCCCC)cc1	C33228443
MACCS_151	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_151	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_151	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_151	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_151	O=C(Nc1ccccc1)CCl	C587655
MACCS_151	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_151	NCCCN1CCOCC1	C123002
MACCS_151	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_151	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_151	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_151	S=C(NC)NC	C534134
MACCS_151	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_151	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_151	O=C(N)Nc1ccccc1	C64108
MACCS_151	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_151	NNC(=S)NC	C6610293
MACCS_151	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_151	NCCN.I.I	C5700492
MACCS_151	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_151	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_151	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_151	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_151	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_151	Nc1ccc(CCC)cc1	C2696846
MACCS_151	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_151	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_151	Nc1ccc(cc1)OCCCC	C4344552
MACCS_151	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_151	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_151	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_151	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_151	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_151	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_151	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_151	S=C1NCCN1	C96457
MACCS_151	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_151	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_151	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_151	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_151	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_151	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_151	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_151	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_151	c1ccccc1Nc1ccccc1	C122394
MACCS_151	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_151	CSC(=NOC(=O)NC)C	C16752775
MACCS_151	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_151	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_151	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_151	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_151	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_151	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_151	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_151	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_151	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_151	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_151	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_151	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_151	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_151	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_151	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_151	NP(=O)(OC)SC	C10265926
MACCS_151	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_151	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_151	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_151	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_151	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_151	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_151	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_151	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_151	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_151	O=C(NCCCC)OCC#CI	C55406536
MACCS_151	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_151	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_151	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_151	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_151	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_151	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_151	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_151	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_151	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_151	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_151	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_151	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_151	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_151	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_151	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_151	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_151	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_151	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_151	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_151	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_151	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_151	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_151	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_151	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_151	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_151	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_151	N#CN	C420042
MACCS_151	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_151	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_151	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_151	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_151	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_151	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_151	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_151	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_151	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_151	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_151	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_151	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_151	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_151	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_151	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_151	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_151	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_151	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_151	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_151	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_151	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_151	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_151	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_151	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_151	NC(=O)C=C	C79061
MACCS_151	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_151	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_151	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_151	O=C1CCCCCN1	C105602
MACCS_151	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_151	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_151	Nc1c(ccc(c1)Cl)N	C95830
MACCS_151	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_151	Nc1ccc(cc1)Cl	C106478
MACCS_151	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_151	Nc1cc(ccc1OC)C	C120718
MACCS_151	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_151	Nc1c(ccc(c1)N)C	C95807
MACCS_151	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_151	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_151	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_151	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_151	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_151	O=C(c1ccncc1)NN	C54853
MACCS_151	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_151	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_151	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_151	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_151	Nc1cc2c(cccc2)cc1	C91598
MACCS_151	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_151	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_151	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_151	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_151	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_151	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_151	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_151	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_151	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_151	Nc1cc(ccc1)N	C108452
MACCS_151	C1CNCCN1	C110850
MACCS_151	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_151	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_151	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_151	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_151	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_151	C(=O)(N)N	C57136
MACCS_151	NC(=O)OCC	C51796
MACCS_151	CC1(C)NC(=O)NC1=O	C77714
MACCS_151	CCNc1cc(C)ccc1	C102272
MACCS_151	Nc1ccc(C)cc1	C106490
MACCS_151	OCCNCCO	C111422
MACCS_151	OCCN	C141435
MACCS_151	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_151	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_151	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_151	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_151	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_151	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_151	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_151	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_151	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_151	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_151	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_151	Nc1c(OC)cccc1	C90040
MACCS_151	NC1CCCCC1	C108918
MACCS_151	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_151	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_151	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_151	O=C(O)c1ccc(N)cc1	C150130
MACCS_151	Oc1c(ccc(N)c1)C	C2835952
MACCS_151	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_151	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_151	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_151	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_151	Nc1cc(C)ccc1N	C496720
MACCS_151	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_151	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_151	N(c1ccccc1)CC	C103695
MACCS_151	C(=O)(N)NO	C127071
MACCS_151	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_151	O=C(OC)c1c(N)cccc1	C134203
MACCS_151	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_151	Nc1c(N)cccc1	C95545
MACCS_151	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_151	Nc1c(cccc1)C	C95534
MACCS_151	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_151	Nc1c(cccc1C)C	C87627
MACCS_151	Nc1cccc(C)c1	C108441
MACCS_151	Nc1c(CC)cccc1CC	C579668
MACCS_151	Nc1cccc(C)c1N	C2687254
MACCS_151	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_151	O=C(N)C(=C)C	C79390
MACCS_151	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_151	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_151	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_151	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_151	Nn1cnnc1	C584134
MACCS_151	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_151	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_151	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_151	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_151	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_151	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_151	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_151	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_151	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_151	O=C(C)NC	C79163
MACCS_151	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_151	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_151	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_151	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_151	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_151	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_151	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_151	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_151	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_151	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_151	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_151	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_151	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_151	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_151	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_151	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_151	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_151	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_151	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_151	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_151	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_151	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_151	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_151	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_151	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_151	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_151	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_151	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_151	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_151	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_151	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_151	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_151	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_151	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_151	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_151	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_151	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_151	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_151	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_151	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_151	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_151	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_151	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_151	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_151	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_151	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_151	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_151	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_151	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_151	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_151	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_151	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_151	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_151	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_151	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_151	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_151	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_151	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_151	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_151	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_151	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_151	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_151	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_151	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_151	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_151	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_151	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_151	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_151	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_151	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_151	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_151	C(=O)N	C75127
MACCS_151	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_151	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_151	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_151	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_151	NCCOCCOCCN	C929599
MACCS_151	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_151	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_151	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_151	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_151	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_151	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_151	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_151	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_151	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_151	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_151	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_151	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_151	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_151	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_151	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_151	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_151	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_151	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_151	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_151	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_151	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_151	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_151	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_151	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_151	S=C(NCCCC)NCCCC	C109466
MACCS_151	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_151	NCc1cccc(CN)c1	C1477550
MACCS_151	NCCN	C107153
MACCS_151	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_151	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_151	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_151	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_151	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_151	Clc1ccc(N)cc1.Cl	C20265967
MACCS_151	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_151	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_151	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_151	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_151	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_151	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_151	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_151	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_151	NNc1ccccc1.Cl	C59881
MACCS_151	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_151	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_151	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_151	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_151	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_151	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_151	Nc1ccc(Br)cc1	C106401
MACCS_151	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_151	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_151	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_151	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_151	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_151	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_151	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_151	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_151	Nc1ccc(OC)cc1	C104949
MACCS_151	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_151	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_151	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_151	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_151	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_151	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_151	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_151	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_151	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_151	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_151	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_151	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_151	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_151	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_151	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_151	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_151	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_151	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_151	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_151	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_151	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_151	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_151	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_151	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_151	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_151	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_151	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_151	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_151	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_151	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_151	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_151	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_151	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_151	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_151	CCCCCCCCCCCCN.Cl	C929737
MACCS_151	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_151	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_151	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_151	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_151	NCCCOCCCCCCCC	C15930662
MACCS_151	Nc1cccc(C)n1	C1824813
MACCS_151	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_151	CC1COc2ccccc2N1	C32329207
MACCS_151	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_151	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_151	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_151	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_151	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_151	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_151	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_151	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_151	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_151	NNC(=O)OCc1ccccc1	C5331431
MACCS_151	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_151	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_151	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_152	C=CCO	C107186
MACCS_152	C=CCN=C=S	C57067
MACCS_152	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_152	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_152	CC(=O)OCc1ccccc1	C140114
MACCS_152	CC(CNCC(C)O)O	C110974
MACCS_152	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_152	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_152	O=CCCl	C107200
MACCS_152	ClCOC	C107302
MACCS_152	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_152	BrCCBr	C106934
MACCS_152	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_152	S=C(NCC)NCC	C105555
MACCS_152	CN(CCO)C	C108010
MACCS_152	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_152	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_152	OC(CO)CCl	C96242
MACCS_152	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_152	O=[N+](CC)[O-]	C79243
MACCS_152	O=NN1CCCC1	C930552
MACCS_152	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_152	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_152	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_152	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_152	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_152	ClCC(Cl)CCl	C96184
MACCS_152	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_152	OCCOCCOCCOCCCC	C143226
MACCS_152	OCCC	C71238
MACCS_152	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_152	OC(C)CN	C78966
MACCS_152	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_152	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_152	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_152	OCCN1CCNCC1	C103764
MACCS_152	CCOC(=O)CC(=O)OCC	C105533
MACCS_152	C(O)C#CCO	C110656
MACCS_152	CCNCCO	C110736
MACCS_152	CCCCCCO	C111273
MACCS_152	CCCCCCCO	C111706
MACCS_152	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_152	CCCCCC(=O)OCC	C123660
MACCS_152	CCCCCCCCCCCCN	C124221
MACCS_152	NCCN1CCNCC1	C140318
MACCS_152	CCCCCCCCCO	C143088
MACCS_152	C=CC(Cl)CCl	C760236
MACCS_152	C=CC(=O)OCCO	C818611
MACCS_152	CC/C=C\CCO	C928961
MACCS_152	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_152	CCCCCCCCCCN	C2016571
MACCS_152	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_152	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_152	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_152	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_152	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_152	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_152	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_152	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_152	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_152	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_152	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_152	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_152	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_152	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_152	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_152	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_152	NC(CO)(CO)CO	C77861
MACCS_152	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_152	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_152	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_152	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_152	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_152	CC(O)COC	C107982
MACCS_152	[Na+].[O-]C(=O)CF	C62748
MACCS_152	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_152	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_152	OCCCCO	C110634
MACCS_152	O=C(OCCCC)C=C	C141322
MACCS_152	C(OCCCC)C1CO1	C2426086
MACCS_152	C(CCN)CCCN	C124094
MACCS_152	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_152	N(CCN)CCN	C111400
MACCS_152	N(CCCN)(C)C	C109557
MACCS_152	OCNC(=O)NCO	C140954
MACCS_152	C(CCCCCC)CCCCCS	C112550
MACCS_152	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_152	O=C(OCC)c1c(N)cccc1	C87252
MACCS_152	OCC(C(O)CCC)CC	C94962
MACCS_152	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_152	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_152	c1c(CO)occ1	C98000
MACCS_152	C(=O)(O)CO	C79141
MACCS_152	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_152	C1COCCN1	C110918
MACCS_152	O(c1ccc(N)cc1)CC	C156434
MACCS_152	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_152	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_152	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_152	O=C(O)CS	C68111
MACCS_152	O=P(OCC)(OCC)OCC	C78400
MACCS_152	ClCCOP(OCCCl)OCCCl	C140089
MACCS_152	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_152	OCCc1ccccc1	C60128
MACCS_152	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_152	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_152	O=C(C)OCC(CC)CCCC	C103093
MACCS_152	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_152	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_152	O=C1OCC(C)O1	C108327
MACCS_152	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_152	N1CCCCCC1	C111499
MACCS_152	O=C(C)OCCOC(=O)C	C111557
MACCS_152	O=C(C)OCCOCCCC	C112072
MACCS_152	CCCCCCCCCCCCN(C)C	C112185
MACCS_152	OCCOCCOCCOC	C112356
MACCS_152	OCCOCCOCCOCCO	C112607
MACCS_152	OCC(CO)(CO)CO	C115775
MACCS_152	OCC(N)(C)C	C124685
MACCS_152	OCC(C)(C)CO	C126307
MACCS_152	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_152	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_152	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_152	O=C1NCCC1	C616455
MACCS_152	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_152	OC(C)COc1ccccc1	C770354
MACCS_152	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_152	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_152	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_152	OCCOCCOCCOCCOCCCC	C1559348
MACCS_152	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_152	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_152	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_152	OCCOCCC	C2807309
MACCS_152	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_152	O=C(CCl)[O-].[Na+]	C3926623
MACCS_152	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_152	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_152	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_152	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_152	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_152	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_152	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_152	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_152	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_152	CC(CO)O	C25322694
MACCS_152	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_152	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_152	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_152	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_152	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_152	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_152	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_152	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_152	OCC1OCCC1	C97994
MACCS_152	CN1CCOCC1	C109024
MACCS_152	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_152	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_152	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_152	OC(C)COCCC	C1569013
MACCS_152	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_152	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_152	OCC(CCC)CCCCC	C10042598
MACCS_152	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_152	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_152	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_152	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_152	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_152	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_152	OCCC(C)CC(C)(C)C	C3452979
MACCS_152	OC(OCCCC)CC	C29387868
MACCS_152	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_152	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_152	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_152	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_152	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_152	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_152	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_152	OCn1nc(C)cc1C	C85264331
MACCS_152	OCCSCCCCCCCC	C3547339
MACCS_152	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_152	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_152	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_152	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_152	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_152	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_152	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_152	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_152	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_152	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_152	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_152	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_152	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_152	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_152	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_152	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_152	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_152	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_152	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_152	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_152	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_152	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_152	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_152	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_152	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_152	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_152	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_152	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_152	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_152	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_152	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_152	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_152	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_152	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_152	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_152	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_152	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_152	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_152	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_152	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_152	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_152	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_152	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_152	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_152	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_152	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_152	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_152	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_152	O=C(CC)OCC	C105373
MACCS_152	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_152	O=C1OCC(CC)O1	C4437858
MACCS_152	O=C(CBr)OCc1ccccc1	C5437456
MACCS_152	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_152	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_152	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_152	O=C(OCC)c1c(C)cccc1	C87241
MACCS_152	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_152	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_152	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_152	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_152	CC(O)COCC	C1569024
MACCS_152	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_152	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_152	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_152	Oc1ccccc1CN(C)C	C120650
MACCS_152	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_152	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_152	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_152	O=C(Nc1ccccc1)CCl	C587655
MACCS_152	O1C=CCCC1	C110872
MACCS_152	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_152	O=C(C)OCC/C=C\CC	C3681718
MACCS_152	OCC=Cc1ccccc1	C104541
MACCS_152	NCCCN1CCOCC1	C123002
MACCS_152	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_152	O=C(CCC)OCCCCC	C540181
MACCS_152	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_152	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_152	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_152	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_152	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_152	OP(OCC)OCC	C762049
MACCS_152	OCCOCC(CC)CCCC	C1559359
MACCS_152	OCCN(CC)CCO	C139877
MACCS_152	CCOC(OCC)OCC	C122510
MACCS_152	CCO[Si](OCC)(OCC)CC	C78079
MACCS_152	O=C(CF)O	C144490
MACCS_152	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_152	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_152	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_152	O=C(CCC)OCCCCCCC	C5870939
MACCS_152	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_152	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_152	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_152	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_152	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_152	OC(C)C(=O)OCCCC	C138227
MACCS_152	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_152	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_152	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_152	Oc1c(OCC)cccc1	C94713
MACCS_152	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_152	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_152	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_152	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_152	OC(CO)c1ccccc1	C93561
MACCS_152	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_152	CCO[Si](OCC)(C)OCC	C2031676
MACCS_152	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_152	CO[Si](OC)(CCC)OC	C1067250
MACCS_152	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_152	O=C(C)OCCCCCCCC	C112141
MACCS_152	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_152	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_152	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_152	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_152	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_152	NCCN.I.I	C5700492
MACCS_152	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_152	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_152	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_152	OCC(CCCC)CCCCCC	C3913028
MACCS_152	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_152	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_152	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_152	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_152	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_152	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_152	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_152	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_152	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_152	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_152	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_152	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_152	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_152	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_152	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_152	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_152	OCCOCC(C)OCCO	C9003116
MACCS_152	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_152	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_152	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_152	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_152	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_152	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_152	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_152	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_152	Nc1ccc(cc1)OCCCC	C4344552
MACCS_152	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_152	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_152	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_152	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_152	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_152	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_152	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_152	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_152	S=C1NCCN1	C96457
MACCS_152	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_152	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_152	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_152	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_152	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_152	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_152	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_152	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_152	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_152	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_152	c1ccccc1OCCO	C122996
MACCS_152	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_152	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_152	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_152	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_152	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_152	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_152	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_152	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_152	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_152	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_152	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_152	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_152	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_152	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_152	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_152	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_152	ClCCP(=O)(O)O	C16672870
MACCS_152	CCCN(CCC)C(=O)SCC	C759944
MACCS_152	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_152	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_152	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_152	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_152	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_152	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_152	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_152	OCCOC	C109864
MACCS_152	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_152	O=C(SCC)N1CCCCCC1	C2212671
MACCS_152	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_152	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_152	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_152	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_152	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_152	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_152	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_152	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_152	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_152	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_152	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_152	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_152	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_152	CN1CN(C)CSC1=S	C533744
MACCS_152	C(SC#N)SC#N	C6317186
MACCS_152	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_152	O=C(NCCCC)OCC#CI	C55406536
MACCS_152	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_152	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_152	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_152	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_152	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_152	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_152	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_152	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_152	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_152	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_152	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_152	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_152	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_152	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_152	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_152	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_152	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_152	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_152	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_152	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_152	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_152	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_152	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_152	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_152	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_152	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_152	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_152	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_152	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_152	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_152	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_152	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_152	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_152	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_152	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_152	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_152	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_152	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_152	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_152	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_152	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_152	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_152	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_152	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_152	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_152	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_152	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_152	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_152	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_152	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_152	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_152	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_152	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_152	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_152	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_152	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_152	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_152	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_152	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_152	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_152	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_152	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_152	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_152	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_152	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_152	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_152	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_152	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_152	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_152	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_152	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_152	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_152	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_152	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_152	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_152	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_152	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_152	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_152	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_152	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_152	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_152	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_152	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_152	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_152	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_152	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_152	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_152	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_152	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_152	OCc1ccccc1	C100516
MACCS_152	OCC(CO)(CBr)CBr	C3296900
MACCS_152	ClCCOCCCl	C111444
MACCS_152	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_152	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_152	O=C1CCCO1	C96480
MACCS_152	O=C1CCCCCN1	C105602
MACCS_152	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_152	O=C(c1ccccc1)CCl	C532274
MACCS_152	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_152	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_152	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_152	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_152	OCCOCCO	C111466
MACCS_152	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_152	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_152	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_152	C(CO)O	C107211
MACCS_152	O1C2C1CCC(C2)C1CO1	C106876
MACCS_152	CCC(CCCC)CO	C104767
MACCS_152	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_152	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_152	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_152	OCC(O)CO	C56815
MACCS_152	OCC1CO1	C556525
MACCS_152	C1N2CN3CN(C2)CN1C3	C100970
MACCS_152	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_152	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_152	O=C1N(CCC1)C	C872504
MACCS_152	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_152	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_152	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_152	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_152	O=NN(CCCC)CCCC	C924163
MACCS_152	CCN(CC)N=O	C55185
MACCS_152	O=NN(CCC)CCC	C621647
MACCS_152	C1CNCCN1	C110850
MACCS_152	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_152	O=S1(=O)CCCO1	C1120714
MACCS_152	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_152	CC(CO)O	C57556
MACCS_152	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_152	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_152	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_152	C1C(c2ccccc2)O1	C96093
MACCS_152	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_152	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_152	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_152	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_152	OCCN(CCO)CCO	C102716
MACCS_152	OCCOCCOCCO	C112276
MACCS_152	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_152	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_152	NC(=O)OCC	C51796
MACCS_152	O=C1N(C=C)CCC1	C88120
MACCS_152	CCCCOCCOCCO	C112345
MACCS_152	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_152	CCN(CC)c1ccccc1	C91667
MACCS_152	CCN(CCO)CC	C100378
MACCS_152	CCNc1cc(C)ccc1	C102272
MACCS_152	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_152	ClCCO	C107073
MACCS_152	CC(=O)OCCOCC	C111159
MACCS_152	OCCNCCO	C111422
MACCS_152	CCCCCCCCO	C111875
MACCS_152	CCOCCOCCO	C111900
MACCS_152	CCCCCCCCCCO	C112301
MACCS_152	CCCCCCCCCCCCCO	C112709
MACCS_152	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_152	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_152	OCCN	C141435
MACCS_152	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_152	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_152	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_152	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_152	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_152	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_152	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_152	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_152	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_152	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_152	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_152	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_152	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_152	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_152	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_152	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_152	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_152	O=S(=O)(OCC)OCC	C64675
MACCS_152	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_152	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_152	CCOCCO	C110805
MACCS_152	CCCCOCCO	C111762
MACCS_152	O=C=NCCCCCCN=C=O	C822060
MACCS_152	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_152	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_152	OCCOCCOCCOCC	C112505
MACCS_152	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_152	O(CCOC)CCOC	C111966
MACCS_152	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_152	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_152	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_152	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_152	OC(CCl)CCl	C96231
MACCS_152	O(CCOC)CCO	C111773
MACCS_152	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_152	N(c1ccccc1)CC	C103695
MACCS_152	C(CC(C)C)OC(=O)C	C123922
MACCS_152	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_152	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_152	O=c1ccsn1CCCCCCCC	C26530201
MACCS_152	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_152	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_152	N(CCCC)(CCCC)CCCC	C102829
MACCS_152	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_152	C(OCCOC)COCCOC	C112492
MACCS_152	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_152	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_152	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_152	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_152	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_152	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_152	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_152	OCCC(C)CCC=C(C)C	C106229
MACCS_152	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_152	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_152	OCCC(O)C	C107880
MACCS_152	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_152	OCCOCCCCCC	C112254
MACCS_152	OCCCCCCCCCCC	C112425
MACCS_152	OCCCCCCCCCCCC	C112538
MACCS_152	OCCCCCCCCCCCCCC	C112721
MACCS_152	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_152	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_152	O=C(C)OCCCCC	C628637
MACCS_152	OCCCCCCCCCCCCCCC	C629765
MACCS_152	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_152	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_152	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_152	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_152	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_152	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_152	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_152	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_152	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_152	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_152	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_152	OC(OCCCOC)CC	C34590948
MACCS_152	OCCCCCCCCCCCCCCCC	C36653824
MACCS_152	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_152	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_152	CCC12N(COC1)COC2	C7747355
MACCS_152	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_152	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_152	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_152	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_152	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_152	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_152	S=P(OCC)(OCC)SCSCC	C298022
MACCS_152	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_152	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_152	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_152	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_152	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_152	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_152	CCCCCCCCN(C)C	C7378996
MACCS_152	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_152	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_152	O=C(OCC)CCC(=O)OCC	C123251
MACCS_152	O=C(CCC)OCC	C105544
MACCS_152	O=C(OCC)CCCCCC	C106309
MACCS_152	O=C(OCCCC)c1ccccc1	C136607
MACCS_152	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_152	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_152	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_152	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_152	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_152	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_152	O=C(CCC)OCCC(C)C	C106274
MACCS_152	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_152	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_152	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_152	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_152	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_152	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_152	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_152	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_152	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_152	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_152	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_152	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_152	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_152	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_152	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_152	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_152	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_152	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_152	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_152	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_152	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_152	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_152	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_152	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_152	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_152	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_152	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_152	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_152	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_152	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_152	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_152	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_152	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_152	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_152	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_152	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_152	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_152	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_152	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_152	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_152	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_152	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_152	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_152	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_152	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_152	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_152	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_152	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_152	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_152	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_152	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_152	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_152	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_152	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_152	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_152	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_152	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_152	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_152	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_152	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_152	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_152	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_152	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_152	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_152	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_152	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_152	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_152	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_152	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_152	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_152	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_152	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_152	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_152	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_152	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_152	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_152	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_152	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_152	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_152	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_152	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_152	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_152	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_152	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_152	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_152	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_152	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_152	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_152	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_152	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_152	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_152	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_152	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_152	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_152	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_152	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_152	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_152	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_152	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_152	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_152	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_152	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_152	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_152	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_152	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_152	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_152	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_152	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_152	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_152	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_152	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_152	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_152	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_152	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_152	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_152	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_152	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_152	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_152	OCCCBr	C627189
MACCS_152	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_152	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_152	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_152	C(CO)C(C)C	C123513
MACCS_152	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_152	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_152	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_152	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_152	NCCOCCOCCN	C929599
MACCS_152	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_152	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_152	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_152	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_152	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_152	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_152	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_152	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_152	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_152	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_152	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_152	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_152	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_152	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_152	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_152	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_152	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_152	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_152	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_152	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_152	OCCC(OC)C	C2517433
MACCS_152	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_152	S=C(NCCCC)NCCCC	C109466
MACCS_152	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_152	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_152	O=COCC	C109944
MACCS_152	O=C(OCC)c1ccccc1	C93890
MACCS_152	NCc1cccc(CN)c1	C1477550
MACCS_152	O=CCCSC	C3268493
MACCS_152	N(CCN(C)C)(C)C	C110189
MACCS_152	CCN(CC)CC	C121448
MACCS_152	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_152	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_152	CC(=O)OCC	C141786
MACCS_152	CC(=O)OCCCC	C123864
MACCS_152	NCCN	C107153
MACCS_152	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_152	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_152	CCC1CO1	C106887
MACCS_152	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_152	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_152	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_152	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_152	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_152	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_152	O=C(CCl)CCl	C534076
MACCS_152	CC(c1ccc(CO)cc1)C	C536607
MACCS_152	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_152	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_152	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_152	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_152	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_152	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_152	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_152	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_152	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_152	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_152	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_152	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_152	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_152	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_152	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_152	OCC=C(C)C	C556821
MACCS_152	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_152	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_152	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_152	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_152	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_152	OCc1c[nH]c2c1cccc2	C700061
MACCS_152	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_152	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_152	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_152	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_152	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_152	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_152	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_152	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_152	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_152	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_152	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_152	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_152	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_152	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_152	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_152	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_152	Br[Sn](CC)(CC)CC	C2767546
MACCS_152	O=P(OCCCC)(O)OCCCC	C107664
MACCS_152	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_152	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_152	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_152	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_152	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_152	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_152	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_152	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_152	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_152	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_152	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_152	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_152	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_152	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_152	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_152	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_152	N#CSCCCCCCCCCCCC	C765151
MACCS_152	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_152	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_152	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_152	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_152	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_152	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_152	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_152	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_152	O=CN1CCCCC1	C2591868
MACCS_152	O=C(O)CCSCCC(=O)O	C111171
MACCS_152	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_152	CCCCCCCCCCCCN.Cl	C929737
MACCS_152	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_152	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_152	BrCCCCCCCCCCCC	C143157
MACCS_152	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_152	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_152	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_152	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_152	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_152	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_152	O=C(OCCCCO)C=C	C2478106
MACCS_152	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_152	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_152	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_152	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_152	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_152	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_152	NCCCOCCCCCCCC	C15930662
MACCS_152	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_152	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_152	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_152	CC1COc2ccccc2N1	C32329207
MACCS_152	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_152	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_152	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_152	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_152	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_152	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_152	S=C=NCCCSC	C505793
MACCS_152	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_152	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_152	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_152	CC/C=C\CCOC(OCC)C	C28069741
MACCS_152	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_152	NNC(=O)OCc1ccccc1	C5331431
MACCS_152	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_152	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_152	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_152	O=COCc1ccc(OC)cc1	C122918
MACCS_152	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_152	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_153	CC(=O)N	C60355
MACCS_153	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_153	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_153	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_153	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_153	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_153	CC(=O)OCc1ccccc1	C140114
MACCS_153	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_153	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_153	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_153	O=CCCl	C107200
MACCS_153	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_153	O=C1CCCCC1	C108941
MACCS_153	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_153	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_153	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_153	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_153	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_153	CN(C)C(=O)C	C127195
MACCS_153	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_153	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_153	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_153	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_153	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_153	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_153	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_153	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_153	NC(=O)OC	C598550
MACCS_153	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_153	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_153	NC(=O)c1cccnc1	C98920
MACCS_153	OC(=O)c1cccnc1	C59676
MACCS_153	CN(C(=O)N)N=O	C684935
MACCS_153	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_153	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_153	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_153	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_153	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_153	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_153	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_153	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_153	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_153	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_153	O=CCc1ccccc1	C122781
MACCS_153	O=C(O)/C=C\C(=O)O	C110167
MACCS_153	OC(=O)/C=C/C(=O)O	C110178
MACCS_153	CCCCCCCCCC=O	C112312
MACCS_153	CCCCCCCCCCCC(=O)O	C143077
MACCS_153	O=CCCCCCC	C111717
MACCS_153	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_153	CCCCCCCCC=O	C124196
MACCS_153	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_153	OC(=O)CCCC	C109524
MACCS_153	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_153	c1(O)ccccc1C(=O)N	C65452
MACCS_153	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_153	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_153	O=Cc1ccccc1O	C90028
MACCS_153	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_153	CCOC(=O)CC(=O)OCC	C105533
MACCS_153	CCCC(=O)C	C107879
MACCS_153	CCCCCC(=O)C	C110430
MACCS_153	CCCCCCCCCC(=O)C	C112129
MACCS_153	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_153	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_153	CCCCCC(=O)OCC	C123660
MACCS_153	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_153	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_153	O=C(OC(C)(C)C)C	C540885
MACCS_153	CCCCCCC1OC(=O)CC1	C706149
MACCS_153	C=CC(=O)OCCO	C818611
MACCS_153	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_153	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_153	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_153	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_153	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_153	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_153	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_153	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_153	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_153	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_153	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_153	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_153	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_153	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_153	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_153	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_153	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_153	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_153	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_153	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_153	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_153	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_153	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_153	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_153	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_153	C(=O)(O)C(C)O	C50215
MACCS_153	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_153	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_153	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_153	C(=O)(O)CCC(=O)O	C110156
MACCS_153	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_153	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_153	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_153	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_153	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_153	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_153	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_153	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_153	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_153	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_153	[Na+].[O-]C(=O)CF	C62748
MACCS_153	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_153	O=C(N)N=NC(=O)N	C123773
MACCS_153	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_153	O=C(OCCCC)C=C	C141322
MACCS_153	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_153	O=C/C=C/c1ccccc1	C14371109
MACCS_153	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_153	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_153	C(C(=O)C)C(C)(C)O	C123422
MACCS_153	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_153	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_153	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_153	O=C(CC(C)C)CC(C)C	C108838
MACCS_153	OCNC(=O)NCO	C140954
MACCS_153	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_153	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_153	O=C(OCC)c1c(N)cccc1	C87252
MACCS_153	C(CC)(C=O)CCCC	C123057
MACCS_153	CCC(=CCCC)C=O	C645625
MACCS_153	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_153	O=CCCCC=O	C111308
MACCS_153	C(=O)(O)CO	C79141
MACCS_153	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_153	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_153	O(C(C)C)C(=O)C	C108214
MACCS_153	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_153	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_153	O=C(C)C=Cc1ccccc1	C122576
MACCS_153	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_153	C(=O)(O)C(=O)O	C144627
MACCS_153	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_153	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_153	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_153	O=C(O)CS	C68111
MACCS_153	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_153	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_153	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_153	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_153	O=C(O)c1ccccc1O	C69727
MACCS_153	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_153	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_153	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_153	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_153	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_153	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_153	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_153	O=C(O)c1ccc(O)cc1	C99967
MACCS_153	O=C(C)OCC(CC)CCCC	C103093
MACCS_153	O=C1OCC(C)O1	C108327
MACCS_153	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_153	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_153	O=C(OC)CCCCCCCCC	C110429
MACCS_153	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_153	O=C(C)OCCOC(=O)C	C111557
MACCS_153	O=C(C)OCCOCCCC	C112072
MACCS_153	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_153	O=Cc1ccc(OC)cc1	C123115
MACCS_153	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_153	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_153	O=C1NCCC1	C616455
MACCS_153	O=COC(C)C	C625558
MACCS_153	O=C(N)[O-].[NH4+]	C1111780
MACCS_153	O=C(N(C)C)CCCCCCC	C1118929
MACCS_153	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_153	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_153	O=C(N(C)C)CC(=O)C	C2044646
MACCS_153	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_153	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_153	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_153	O=C(CCl)[O-].[Na+]	C3926623
MACCS_153	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_153	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_153	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_153	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_153	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_153	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_153	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_153	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_153	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_153	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_153	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_153	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_153	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_153	O=C(c1ccc(O)cc1)C	C99934
MACCS_153	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_153	O=C1CCCC1	C120923
MACCS_153	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_153	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_153	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_153	O=C(C=C(C)C)C	C141797
MACCS_153	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_153	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_153	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_153	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_153	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_153	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_153	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_153	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_153	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_153	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_153	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_153	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_153	O=C1NC2NC(=O)NC2N1	C496468
MACCS_153	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_153	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_153	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_153	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_153	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_153	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_153	Clc1c(Cl)ssc1=O	C1192525
MACCS_153	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_153	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_153	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_153	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_153	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_153	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_153	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_153	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_153	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_153	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_153	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_153	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_153	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_153	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_153	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_153	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_153	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_153	O=C1OC(CCCCC)CC1	C104610
MACCS_153	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_153	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_153	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_153	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_153	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_153	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_153	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_153	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_153	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_153	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_153	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_153	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_153	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_153	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_153	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_153	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_153	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_153	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_153	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_153	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_153	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_153	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_153	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_153	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_153	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_153	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_153	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_153	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_153	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_153	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_153	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_153	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_153	O=C(CC)OCC	C105373
MACCS_153	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_153	O=C(c1ccccc1O)C	C118934
MACCS_153	O=C1OCC(CC)O1	C4437858
MACCS_153	O=C(CBr)OCc1ccccc1	C5437456
MACCS_153	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_153	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_153	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_153	O=C(OCC)c1c(C)cccc1	C87241
MACCS_153	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_153	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_153	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_153	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_153	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_153	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_153	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_153	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_153	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_153	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_153	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_153	O=C1CCC(O1)CC	C695067
MACCS_153	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_153	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_153	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_153	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_153	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_153	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_153	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_153	O=C(Nc1ccccc1)CCl	C587655
MACCS_153	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_153	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_153	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_153	O=C/C=C/CCC	C6728263
MACCS_153	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_153	O=C(C)OCC/C=C\CC	C3681718
MACCS_153	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_153	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_153	O=CCC/C=C\CCCCC	C21662099
MACCS_153	O=c1ccoc(CC)c1O	C4940118
MACCS_153	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_153	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_153	O=C(CCC)OCCCCC	C540181
MACCS_153	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_153	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_153	O=C(C)OC(C)c1ccccc1	C93925
MACCS_153	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_153	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_153	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_153	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_153	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_153	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_153	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_153	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_153	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_153	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_153	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_153	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_153	O=C(CC)CCCCC	C106683
MACCS_153	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_153	O=C(CF)O	C144490
MACCS_153	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_153	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_153	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_153	O=C(CCC)OCCCCCCC	C5870939
MACCS_153	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_153	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_153	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_153	OC(C)C(=O)OCCCC	C138227
MACCS_153	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_153	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_153	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_153	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_153	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_153	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_153	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_153	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_153	O=C(N)Nc1ccccc1	C64108
MACCS_153	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_153	O=C(C)OCCCCCCCC	C112141
MACCS_153	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_153	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_153	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_153	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_153	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_153	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_153	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_153	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_153	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_153	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_153	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_153	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_153	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_153	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_153	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_153	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_153	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_153	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_153	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_153	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_153	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_153	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_153	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_153	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_153	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_153	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_153	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_153	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_153	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_153	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_153	O=C1OC(CCC)CC1	C105215
MACCS_153	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_153	C=O	C50000
MACCS_153	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_153	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_153	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_153	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_153	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_153	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_153	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_153	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_153	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_153	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_153	O=C1CCC(CCC)CC1	C40649363
MACCS_153	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_153	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_153	O=C(c1ccccc1)C(C)C	C611701
MACCS_153	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_153	O=C(OC)c1c(C)cccc1	C89714
MACCS_153	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_153	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_153	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_153	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_153	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_153	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_153	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_153	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_153	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_153	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_153	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_153	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_153	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_153	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_153	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_153	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_153	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_153	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_153	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_153	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_153	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_153	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_153	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_153	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_153	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_153	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_153	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_153	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_153	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_153	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_153	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_153	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_153	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_153	CSC(=NOC(=O)NC)C	C16752775
MACCS_153	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_153	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_153	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_153	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_153	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_153	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_153	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_153	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_153	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_153	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_153	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_153	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_153	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_153	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_153	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_153	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_153	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_153	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_153	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_153	CCCN(CCC)C(=O)SCC	C759944
MACCS_153	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_153	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_153	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_153	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_153	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_153	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_153	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_153	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_153	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_153	O=C(SCC)N1CCCCCC1	C2212671
MACCS_153	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_153	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_153	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_153	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_153	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_153	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_153	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_153	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_153	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_153	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_153	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_153	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_153	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_153	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_153	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_153	O=C(NCCCC)OCC#CI	C55406536
MACCS_153	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_153	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_153	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_153	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_153	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_153	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_153	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_153	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_153	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_153	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_153	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_153	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_153	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_153	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_153	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_153	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_153	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_153	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_153	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_153	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_153	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_153	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_153	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_153	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_153	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_153	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_153	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_153	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_153	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_153	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_153	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_153	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_153	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_153	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_153	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_153	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_153	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_153	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_153	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_153	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_153	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_153	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_153	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_153	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_153	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_153	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_153	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_153	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_153	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_153	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_153	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_153	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_153	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_153	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_153	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_153	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_153	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_153	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_153	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_153	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_153	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_153	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_153	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_153	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_153	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_153	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_153	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_153	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_153	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_153	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_153	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_153	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_153	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_153	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_153	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_153	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_153	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_153	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_153	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_153	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_153	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_153	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_153	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_153	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_153	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_153	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_153	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_153	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_153	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_153	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_153	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_153	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_153	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_153	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_153	NC(=O)C=C	C79061
MACCS_153	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_153	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_153	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_153	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_153	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_153	OC(=O)c1ccccc1	C65850
MACCS_153	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_153	O=C1CCCO1	C96480
MACCS_153	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_153	O=C1CCCCCN1	C105602
MACCS_153	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_153	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_153	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_153	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_153	O=C(c1ccccc1)CCl	C532274
MACCS_153	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_153	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_153	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_153	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_153	O=c1oc2c(cccc2)cc1	C91645
MACCS_153	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_153	OC(=O)C(Cl)Cl	C79436
MACCS_153	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_153	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_153	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_153	O=C(N(C)C)Cl	C79447
MACCS_153	CN(C=O)C	C68122
MACCS_153	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_153	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_153	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_153	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_153	O=Cc1ccco1	C98011
MACCS_153	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_153	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_153	O=C(c1ccncc1)NN	C54853
MACCS_153	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_153	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_153	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_153	O=C1N(CCC1)C	C872504
MACCS_153	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_153	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_153	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_153	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_153	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_153	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_153	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_153	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_153	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_153	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_153	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_153	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_153	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_153	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_153	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_153	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_153	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_153	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_153	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_153	OC(=O)C=CC=CC	C110441
MACCS_153	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_153	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_153	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_153	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_153	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_153	C(=O)(N)N	C57136
MACCS_153	NC(=O)OCC	C51796
MACCS_153	O=C1N(C=C)CCC1	C88120
MACCS_153	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_153	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_153	OC(=O)CCC	C107926
MACCS_153	CCCCCCCCCC(=O)O	C334485
MACCS_153	CC(Cl)(Cl)C(=O)O	C75990
MACCS_153	O=C(O)CCCCCC	C111148
MACCS_153	OC(=O)CCCCC(=O)O	C124049
MACCS_153	CCCCCC(=O)O	C142621
MACCS_153	CCCCCCCCC(=O)O	C112050
MACCS_153	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_153	CCCCCCCC=O	C124130
MACCS_153	CCCCCCCC(=O)O	C124072
MACCS_153	CCCCC=O	C110623
MACCS_153	CC1(C)NC(=O)NC1=O	C77714
MACCS_153	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_153	c1ccccc1C(=O)C	C98862
MACCS_153	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_153	CC(=O)OCCOCC	C111159
MACCS_153	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_153	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_153	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_153	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_153	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_153	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_153	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_153	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_153	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_153	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_153	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_153	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_153	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_153	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_153	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_153	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_153	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_153	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_153	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_153	C(=O)(O)C(CCC)CCC	C99661
MACCS_153	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_153	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_153	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_153	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_153	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_153	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_153	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_153	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_153	O=C=NCCCCCCN=C=O	C822060
MACCS_153	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_153	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_153	O=C(O)c1ccc(N)cc1	C150130
MACCS_153	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_153	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_153	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_153	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_153	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_153	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_153	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_153	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_153	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_153	COC(=O)CCCC(=O)OC	C1119400
MACCS_153	C(=O)(OC)CCC(=O)OC	C106650
MACCS_153	O=C(O)C(CCCC)CC	C149575
MACCS_153	C(=O)(N)NO	C127071
MACCS_153	C(CC(C)C)OC(=O)C	C123922
MACCS_153	o1c(C)c(O)c(=O)cc1	C118718
MACCS_153	O=C(OC)c1c(N)cccc1	C134203
MACCS_153	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_153	O=C(OC)c1c(O)cccc1	C119368
MACCS_153	O=c1ccsn1CCCCCCCC	C26530201
MACCS_153	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_153	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_153	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_153	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_153	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_153	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_153	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_153	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_153	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_153	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_153	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_153	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_153	O=C(OC)CCCCCCC	C111115
MACCS_153	O=C(OC)CCCCCCCCCCC	C111820
MACCS_153	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_153	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_153	O=C(C)OCCCCC	C628637
MACCS_153	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_153	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_153	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_153	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_153	O=C(O)C(O)CC(=O)O	C6915157
MACCS_153	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_153	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_153	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_153	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_153	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_153	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_153	O=C(OC)CC(=O)OC	C108598
MACCS_153	O=C(N)C(=C)C	C79390
MACCS_153	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_153	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_153	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_153	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_153	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_153	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_153	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_153	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_153	O=Cc1ccccc1C=O	C643798
MACCS_153	O=c1[nH]sc2c1cccc2	C2634335
MACCS_153	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_153	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_153	O=c1n(C)sc(Cl)c1	C26172554
MACCS_153	O=C1CCC(O1)CCCCCCC	C104676
MACCS_153	O=C(O)CCCCCCCCC=C	C112389
MACCS_153	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_153	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_153	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_153	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_153	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_153	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_153	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_153	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_153	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_153	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_153	O=C(OCC)CCC(=O)OCC	C123251
MACCS_153	O=C(CCC)OCC	C105544
MACCS_153	O=C(OCC)CCCCCC	C106309
MACCS_153	O=C(OCCCC)c1ccccc1	C136607
MACCS_153	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_153	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_153	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_153	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_153	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_153	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_153	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_153	O=C(CCC)OCCC(C)C	C106274
MACCS_153	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_153	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_153	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_153	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_153	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_153	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_153	O=C(C)NC	C79163
MACCS_153	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_153	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_153	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_153	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_153	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_153	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_153	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_153	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_153	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_153	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_153	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_153	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_153	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_153	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_153	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_153	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_153	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_153	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_153	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_153	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_153	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_153	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_153	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_153	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_153	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_153	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_153	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_153	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_153	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_153	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_153	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_153	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_153	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_153	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_153	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_153	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_153	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_153	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_153	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_153	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_153	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_153	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_153	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_153	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_153	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_153	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_153	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_153	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_153	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_153	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_153	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_153	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_153	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_153	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_153	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_153	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_153	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_153	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_153	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_153	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_153	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_153	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_153	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_153	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_153	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_153	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_153	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_153	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_153	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_153	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_153	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_153	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_153	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_153	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_153	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_153	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_153	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_153	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_153	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_153	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_153	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_153	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_153	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_153	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_153	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_153	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_153	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_153	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_153	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_153	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_153	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_153	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_153	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_153	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_153	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_153	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_153	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_153	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_153	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_153	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_153	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_153	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_153	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_153	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_153	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_153	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_153	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_153	C(=O)N	C75127
MACCS_153	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_153	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_153	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_153	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_153	C(=O)(C)O	C64197
MACCS_153	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_153	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_153	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_153	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_153	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_153	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_153	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_153	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_153	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_153	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_153	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_153	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_153	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_153	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_153	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_153	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_153	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_153	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_153	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_153	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_153	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_153	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_153	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_153	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_153	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_153	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_153	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_153	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_153	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_153	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_153	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_153	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_153	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_153	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_153	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_153	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_153	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_153	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_153	O=CCC(C)CCC=C(C)C	C106230
MACCS_153	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_153	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_153	O=COCC	C109944
MACCS_153	O=C(OCC)c1ccccc1	C93890
MACCS_153	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_153	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_153	O=CCCSC	C3268493
MACCS_153	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_153	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_153	CC(=O)OCC	C141786
MACCS_153	CC(=O)OCCCC	C123864
MACCS_153	CC(=O)CCC(C)C	C110123
MACCS_153	CC(=O)CC(C)C	C108101
MACCS_153	CC(C)C=O	C78842
MACCS_153	CCCCCC=O	C66251
MACCS_153	CCCC=O	C123728
MACCS_153	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_153	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_153	CC1CC(=O)O1	C3068880
MACCS_153	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_153	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_153	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_153	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_153	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_153	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_153	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_153	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_153	O=C(CCl)CCl	C534076
MACCS_153	CC(=O)C(=O)O	C127173
MACCS_153	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_153	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_153	CN(C)c1ccc(C=O)cc1	C100107
MACCS_153	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_153	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_153	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_153	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_153	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_153	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_153	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_153	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_153	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_153	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_153	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_153	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_153	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_153	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_153	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_153	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_153	O=CC=CC=CCCCCC	C25152845
MACCS_153	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_153	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_153	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_153	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_153	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_153	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_153	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_153	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_153	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_153	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_153	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_153	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_153	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_153	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_153	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_153	ClC(=O)C(CC)CCCC	C760678
MACCS_153	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_153	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_153	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_153	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_153	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_153	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_153	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_153	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_153	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_153	O=c1cc(C)o[nH]1	C10004441
MACCS_153	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_153	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_153	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_153	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_153	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_153	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_153	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_153	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_153	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_153	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_153	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_153	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_153	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_153	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_153	O=CCCCCCCCCC=C	C112458
MACCS_153	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_153	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_153	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_153	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_153	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_153	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_153	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_153	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_153	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_153	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_153	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_153	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_153	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_153	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_153	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_153	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_153	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_153	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_153	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_153	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_153	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_153	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_153	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_153	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_153	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_153	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_153	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_153	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_153	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_153	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_153	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_153	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_153	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_153	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_153	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_153	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_153	O=CN1CCCCC1	C2591868
MACCS_153	O=C(O)CCSCCC(=O)O	C111171
MACCS_153	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_153	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_153	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_153	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_153	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_153	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_153	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_153	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_153	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_153	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_153	O=C(OC)CCCC(=O)O	C1501275
MACCS_153	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_153	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_153	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_153	O=C(OCCCCO)C=C	C2478106
MACCS_153	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_153	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_153	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_153	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_153	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_153	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_153	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_153	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_153	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_153	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_153	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_153	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_153	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_153	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_153	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_153	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_153	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_153	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_153	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_153	O=C/C=C/CCCCCCC	C3913813
MACCS_153	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_153	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_153	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_153	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_153	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_153	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_153	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_153	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_153	NNC(=O)OCc1ccccc1	C5331431
MACCS_153	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_153	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_153	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_153	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_153	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_153	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_153	CCCCCCCCCC(C)C=O	C110418
MACCS_153	O=COCc1ccc(OC)cc1	C122918
MACCS_153	CCC(=O)C(=O)CC	C4437518
MACCS_153	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_154	C=CCO	C107186
MACCS_154	C=CCN=C=S	C57067
MACCS_154	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_154	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_154	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_154	CC(=O)OCc1ccccc1	C140114
MACCS_154	CC(CNCC(C)O)O	C110974
MACCS_154	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_154	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_154	O=CCCl	C107200
MACCS_154	ClCOC	C107302
MACCS_154	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_154	BrCCBr	C106934
MACCS_154	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_154	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_154	S=C(NCC)NCC	C105555
MACCS_154	CN(CCO)C	C108010
MACCS_154	C=CCc1ccc(cc1)OC	C140670
MACCS_154	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_154	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_154	OC(CO)CCl	C96242
MACCS_154	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_154	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_154	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_154	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_154	O=[N+](CC)[O-]	C79243
MACCS_154	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_154	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_154	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_154	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_154	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_154	ClCC(Cl)CCl	C96184
MACCS_154	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_154	O=CCc1ccccc1	C122781
MACCS_154	OCCOCCOCCOCCCC	C143226
MACCS_154	CCCCCCCCCC=O	C112312
MACCS_154	CCCCCCCCCCCC(=O)O	C143077
MACCS_154	O=CCCCCCC	C111717
MACCS_154	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_154	CCCCCCCCC=O	C124196
MACCS_154	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_154	OC(=O)CCCC	C109524
MACCS_154	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_154	OCCC	C71238
MACCS_154	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_154	OC(C)CN	C78966
MACCS_154	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_154	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_154	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_154	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_154	OCCN1CCNCC1	C103764
MACCS_154	Nc1ccc(CCCC)cc1	C104132
MACCS_154	CCOC(=O)CC(=O)OCC	C105533
MACCS_154	CC(O)CC(C)(C)O	C107415
MACCS_154	CCCC(=O)C	C107879
MACCS_154	N#CCC#N	C109773
MACCS_154	CCCCCC(=O)C	C110430
MACCS_154	C(O)C#CCO	C110656
MACCS_154	CCNCCO	C110736
MACCS_154	CCCCCCO	C111273
MACCS_154	CCCCCCCO	C111706
MACCS_154	CCCCCCCCCC(=O)C	C112129
MACCS_154	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_154	Oc1ccc(CC)cc1	C123079
MACCS_154	CCCCCC(=O)OCC	C123660
MACCS_154	CCCCCCCCCCCCN	C124221
MACCS_154	NCCN1CCNCC1	C140318
MACCS_154	CCCCCCCCCO	C143088
MACCS_154	Oc1ccc(CCC)cc1	C645567
MACCS_154	CCCCCCC1OC(=O)CC1	C706149
MACCS_154	C=CC(Cl)CCl	C760236
MACCS_154	C=CC(=O)OCCO	C818611
MACCS_154	CC/C=C\CCO	C928961
MACCS_154	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_154	CCCCCCCCCCN	C2016571
MACCS_154	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_154	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_154	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_154	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_154	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_154	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_154	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_154	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_154	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_154	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_154	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_154	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_154	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_154	c1(c(CC)cccc1)O	C90006
MACCS_154	c1c(O)cccc1CC	C620177
MACCS_154	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_154	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_154	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_154	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_154	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_154	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_154	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_154	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_154	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_154	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_154	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_154	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_154	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_154	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_154	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_154	C(=O)(O)CCC(=O)O	C110156
MACCS_154	NC(CO)(CO)CO	C77861
MACCS_154	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_154	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_154	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_154	CC(O)COC	C107982
MACCS_154	[Na+].[O-]C(=O)CF	C62748
MACCS_154	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_154	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_154	ON=CCCC	C110690
MACCS_154	OCCCCO	C110634
MACCS_154	O=C(OCCCC)C=C	C141322
MACCS_154	C(OCCCC)C1CO1	C2426086
MACCS_154	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_154	C(C(=O)C)C(C)(C)O	C123422
MACCS_154	C(CCN)CCCN	C124094
MACCS_154	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_154	N(CCN)CCN	C111400
MACCS_154	O=C(CC(C)C)CC(C)C	C108838
MACCS_154	N(CCCN)(C)C	C109557
MACCS_154	OCNC(=O)NCO	C140954
MACCS_154	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_154	C(CCCCCC)CCCCCS	C112550
MACCS_154	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_154	O=C(OCC)c1c(N)cccc1	C87252
MACCS_154	C(CC)(C=O)CCCC	C123057
MACCS_154	OCC(C(O)CCC)CC	C94962
MACCS_154	CCC(=CCCC)C=O	C645625
MACCS_154	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_154	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_154	c1c(CO)occ1	C98000
MACCS_154	O=CCCCC=O	C111308
MACCS_154	C(=O)(O)CO	C79141
MACCS_154	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_154	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_154	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_154	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_154	N#CC(CCC#N)C	C4553622
MACCS_154	C(CCCCCCC)C	C111842
MACCS_154	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_154	O(c1ccc(N)cc1)CC	C156434
MACCS_154	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_154	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_154	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_154	O=C(O)CS	C68111
MACCS_154	O=P(OCC)(OCC)OCC	C78400
MACCS_154	ClCCOP(OCCCl)OCCCl	C140089
MACCS_154	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_154	OCCc1ccccc1	C60128
MACCS_154	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_154	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_154	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_154	O=C(C)OCC(CC)CCCC	C103093
MACCS_154	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_154	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_154	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_154	O=C(OC)CCCCCCCCC	C110429
MACCS_154	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_154	O=C(C)OCCOC(=O)C	C111557
MACCS_154	O=C(C)OCCOCCCC	C112072
MACCS_154	CCCCCCCCCCCCN(C)C	C112185
MACCS_154	OCCOCCOCCOC	C112356
MACCS_154	OCCOCCOCCOCCO	C112607
MACCS_154	OCC(CO)(CO)CO	C115775
MACCS_154	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_154	OC(CCCCCC)C	C123966
MACCS_154	OCC(N)(C)C	C124685
MACCS_154	OCC(C)(C)CO	C126307
MACCS_154	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_154	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_154	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_154	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_154	OC(C)COc1ccccc1	C770354
MACCS_154	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_154	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_154	O=C(N(C)C)CCCCCCC	C1118929
MACCS_154	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_154	OCCOCCOCCOCCOCCCC	C1559348
MACCS_154	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_154	O=C(N(C)C)CC(=O)C	C2044646
MACCS_154	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_154	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_154	OCCOCCC	C2807309
MACCS_154	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_154	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_154	O=C(CCl)[O-].[Na+]	C3926623
MACCS_154	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_154	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_154	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_154	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_154	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_154	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_154	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_154	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_154	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_154	Nc1c(C)cccc1CC	C24549062
MACCS_154	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_154	CC(CO)O	C25322694
MACCS_154	SC(C)(C)CCCCCC	C25360105
MACCS_154	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_154	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_154	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_154	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_154	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_154	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_154	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_154	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_154	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_154	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_154	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_154	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_154	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_154	OC(CCCC(C)C)(C)CC	C78693
MACCS_154	OCC1OCCC1	C97994
MACCS_154	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_154	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_154	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_154	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_154	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_154	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_154	OC(C)COCCC	C1569013
MACCS_154	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_154	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_154	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_154	OCC(CCC)CCCCC	C10042598
MACCS_154	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_154	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_154	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_154	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_154	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_154	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_154	OCCC(C)CC(C)(C)C	C3452979
MACCS_154	OC(OCCCC)CC	C29387868
MACCS_154	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_154	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_154	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_154	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_154	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_154	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_154	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_154	OCn1nc(C)cc1C	C85264331
MACCS_154	OCCSCCCCCCCC	C3547339
MACCS_154	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_154	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_154	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_154	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_154	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_154	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_154	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_154	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_154	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_154	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_154	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_154	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_154	O=C1OC(CCCCC)CC1	C104610
MACCS_154	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_154	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_154	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_154	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_154	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_154	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_154	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_154	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_154	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_154	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_154	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_154	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_154	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_154	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_154	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_154	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_154	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_154	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_154	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_154	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_154	OC(CCCCC)C=C	C3391864
MACCS_154	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_154	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_154	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_154	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_154	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_154	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_154	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_154	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_154	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_154	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_154	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_154	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_154	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_154	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_154	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_154	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_154	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_154	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_154	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_154	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_154	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_154	O=C(CC)OCC	C105373
MACCS_154	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_154	O=C1OCC(CC)O1	C4437858
MACCS_154	O=C(CBr)OCc1ccccc1	C5437456
MACCS_154	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_154	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_154	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_154	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_154	Nc1ccc(CCCCC)cc1	C33228443
MACCS_154	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_154	O=C(OCC)c1c(C)cccc1	C87241
MACCS_154	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_154	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_154	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_154	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_154	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_154	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_154	CC(O)COCC	C1569024
MACCS_154	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_154	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_154	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_154	Oc1ccccc1CN(C)C	C120650
MACCS_154	O=C1CCC(O1)CC	C695067
MACCS_154	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_154	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_154	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_154	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_154	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_154	O=C(Nc1ccccc1)CCl	C587655
MACCS_154	OC(CCCC(C)C)(C)C	C13254347
MACCS_154	O=C/C=C/CCC	C6728263
MACCS_154	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_154	OC(CC(C)C)(C)C#C	C107540
MACCS_154	O=C(C)OCC/C=C\CC	C3681718
MACCS_154	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_154	OCC=Cc1ccccc1	C104541
MACCS_154	CCC(c1ccccc1)CCC	C4468422
MACCS_154	O=CCC/C=C\CCCCC	C21662099
MACCS_154	O=c1ccoc(CC)c1O	C4940118
MACCS_154	NCCCN1CCOCC1	C123002
MACCS_154	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_154	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_154	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_154	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_154	O=C(CCC)OCCCCC	C540181
MACCS_154	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_154	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_154	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_154	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_154	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_154	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_154	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_154	OP(OCC)OCC	C762049
MACCS_154	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_154	c1(Cc2ccccc2)ccccc1	C101815
MACCS_154	OCCOCC(CC)CCCC	C1559359
MACCS_154	O=C(CC)CCCCC	C106683
MACCS_154	OCCN(CC)CCO	C139877
MACCS_154	CCOC(OCC)OCC	C122510
MACCS_154	CCO[Si](OCC)(OCC)CC	C78079
MACCS_154	O=C(CF)O	C144490
MACCS_154	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_154	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_154	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_154	O=C(CCC)OCCCCCCC	C5870939
MACCS_154	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_154	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_154	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_154	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_154	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_154	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_154	OC(C)C(=O)OCCCC	C138227
MACCS_154	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_154	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_154	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_154	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_154	Oc1c(OCC)cccc1	C94713
MACCS_154	COc1ccc(CCC)cc1	C104450
MACCS_154	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_154	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_154	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_154	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_154	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_154	OC(CO)c1ccccc1	C93561
MACCS_154	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_154	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_154	CCO[Si](OCC)(C)OCC	C2031676
MACCS_154	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_154	CO[Si](OC)(CCC)OC	C1067250
MACCS_154	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_154	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_154	O=C(C)OCCCCCCCC	C112141
MACCS_154	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_154	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_154	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_154	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_154	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_154	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_154	NCCN.I.I	C5700492
MACCS_154	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_154	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_154	OCC(CCCC)CCCCCC	C3913028
MACCS_154	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_154	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_154	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_154	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_154	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_154	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_154	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_154	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_154	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_154	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_154	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_154	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_154	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_154	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_154	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_154	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_154	Oc1ccc(CCCC)cc1	C1638228
MACCS_154	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_154	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_154	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_154	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_154	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_154	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_154	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_154	OCCOCC(C)OCCO	C9003116
MACCS_154	O=C1OC(CCC)CC1	C105215
MACCS_154	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_154	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_154	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_154	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_154	Nc1ccc(CCC)cc1	C2696846
MACCS_154	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_154	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_154	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_154	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_154	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_154	Clc1ccc(CCCC)cc1	C15499271
MACCS_154	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_154	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_154	O=C1CCC(CCC)CC1	C40649363
MACCS_154	Nc1ccc(cc1)OCCCC	C4344552
MACCS_154	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_154	OC1CCC(CCCC)CC1	C70568604
MACCS_154	Clc1ccc(CCCCC)cc1	C79098207
MACCS_154	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_154	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_154	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_154	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_154	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_154	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_154	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_154	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_154	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_154	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_154	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_154	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_154	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_154	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_154	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_154	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_154	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_154	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_154	c1ccccc1OCCO	C122996
MACCS_154	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_154	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_154	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_154	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_154	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_154	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_154	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_154	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_154	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_154	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_154	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_154	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_154	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_154	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_154	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_154	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_154	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_154	ClCCP(=O)(O)O	C16672870
MACCS_154	CCCN(CCC)C(=O)SCC	C759944
MACCS_154	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_154	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_154	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_154	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_154	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_154	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_154	OCCOC	C109864
MACCS_154	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_154	O=C(SCC)N1CCCCCC1	C2212671
MACCS_154	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_154	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_154	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_154	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_154	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_154	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_154	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_154	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_154	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_154	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_154	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_154	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_154	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_154	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_154	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_154	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_154	C(SC#N)SC#N	C6317186
MACCS_154	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_154	O=C(NCCCC)OCC#CI	C55406536
MACCS_154	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_154	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_154	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_154	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_154	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_154	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_154	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_154	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_154	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_154	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_154	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_154	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_154	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_154	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_154	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_154	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_154	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_154	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_154	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_154	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_154	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_154	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_154	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_154	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_154	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_154	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_154	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_154	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_154	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_154	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_154	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_154	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_154	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_154	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_154	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_154	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_154	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_154	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_154	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_154	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_154	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_154	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_154	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_154	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_154	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_154	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_154	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_154	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_154	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_154	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_154	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_154	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_154	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_154	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_154	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_154	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_154	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_154	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_154	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_154	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_154	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_154	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_154	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_154	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_154	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_154	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_154	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_154	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_154	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_154	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_154	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_154	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_154	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_154	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_154	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_154	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_154	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_154	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_154	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_154	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_154	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_154	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_154	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_154	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_154	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_154	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_154	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_154	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_154	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_154	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_154	OCc1ccccc1	C100516
MACCS_154	OCC(CO)(CBr)CBr	C3296900
MACCS_154	ClCCOCCCl	C111444
MACCS_154	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_154	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_154	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_154	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_154	O=C(c1ccccc1)CCl	C532274
MACCS_154	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_154	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_154	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_154	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_154	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_154	OCCOCCO	C111466
MACCS_154	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_154	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_154	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_154	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_154	C(CO)O	C107211
MACCS_154	CCC(CCCC)CO	C104767
MACCS_154	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_154	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_154	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_154	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_154	OCC(O)CO	C56815
MACCS_154	OCC1CO1	C556525
MACCS_154	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_154	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_154	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_154	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_154	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_154	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_154	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_154	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_154	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_154	O=NN(CCCC)CCCC	C924163
MACCS_154	CCN(CC)N=O	C55185
MACCS_154	O=NN(CCC)CCC	C621647
MACCS_154	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_154	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_154	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_154	CC(CO)O	C57556
MACCS_154	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_154	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_154	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_154	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_154	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_154	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_154	OCCN(CCO)CCO	C102716
MACCS_154	OCCOCCOCCO	C112276
MACCS_154	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_154	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_154	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_154	NC(=O)OCC	C51796
MACCS_154	OC(=O)CCC	C107926
MACCS_154	CCCCOCCOCCO	C112345
MACCS_154	CCCCCCCCCC(=O)O	C334485
MACCS_154	O=C(O)CCCCCC	C111148
MACCS_154	OC(=O)CCCCC(=O)O	C124049
MACCS_154	CCCCCC(=O)O	C142621
MACCS_154	CCCCCCCCC(=O)O	C112050
MACCS_154	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_154	CCCCCCCC=O	C124130
MACCS_154	CCCCCCCC(=O)O	C124072
MACCS_154	CCCCC=O	C110623
MACCS_154	CCCCCCCCCCC	C1120214
MACCS_154	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_154	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_154	CCN(CC)c1ccccc1	C91667
MACCS_154	CCC(=NO)C	C96297
MACCS_154	CCN(CCO)CC	C100378
MACCS_154	CCNc1cc(C)ccc1	C102272
MACCS_154	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_154	ClCCO	C107073
MACCS_154	CC(=O)OCCOCC	C111159
MACCS_154	OCCNCCO	C111422
MACCS_154	N#CCCCCC#N	C111693
MACCS_154	CCCCCCCCO	C111875
MACCS_154	CCOCCOCCO	C111900
MACCS_154	CCCCCCCCCCO	C112301
MACCS_154	CCCCCCCCCCCCCO	C112709
MACCS_154	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_154	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_154	OCCN	C141435
MACCS_154	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_154	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_154	c1(c(O)cccc1)C(CC)C	C89725
MACCS_154	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_154	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_154	c1(CCCC)ccccc1	C104518
MACCS_154	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_154	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_154	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_154	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_154	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_154	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_154	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_154	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_154	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_154	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_154	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_154	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_154	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_154	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_154	C(=O)(O)C(CCC)CCC	C99661
MACCS_154	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_154	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_154	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_154	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_154	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_154	O=S(=O)(OCC)OCC	C64675
MACCS_154	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_154	CCOCCO	C110805
MACCS_154	CCCCOCCO	C111762
MACCS_154	O=C=NCCCCCCN=C=O	C822060
MACCS_154	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_154	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_154	OCCOCCOCCOCC	C112505
MACCS_154	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_154	O(CCOC)CCOC	C111966
MACCS_154	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_154	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_154	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_154	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_154	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_154	C(CCCCCCCC)C	C124185
MACCS_154	OC(CCl)CCl	C96231
MACCS_154	O(CCOC)CCO	C111773
MACCS_154	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_154	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_154	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_154	COC(=O)CCCC(=O)OC	C1119400
MACCS_154	C(=O)(OC)CCC(=O)OC	C106650
MACCS_154	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_154	N(c1ccccc1)CC	C103695
MACCS_154	O=C(O)C(CCCC)CC	C149575
MACCS_154	C(CC(C)C)OC(=O)C	C123922
MACCS_154	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_154	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_154	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_154	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_154	O=c1ccsn1CCCCCCCC	C26530201
MACCS_154	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_154	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_154	N(CCCC)(CCCC)CCCC	C102829
MACCS_154	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_154	C(OCCOC)COCCOC	C112492
MACCS_154	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_154	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_154	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_154	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_154	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_154	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_154	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_154	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_154	OCCC(C)CCC=C(C)C	C106229
MACCS_154	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_154	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_154	OCCC(O)C	C107880
MACCS_154	OC(CC(C)C)C	C108112
MACCS_154	O=C(OC)CCCCCCC	C111115
MACCS_154	O=C(OC)CCCCCCCCCCC	C111820
MACCS_154	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_154	OCCOCCCCCC	C112254
MACCS_154	OCCCCCCCCCCC	C112425
MACCS_154	OCCCCCCCCCCCC	C112538
MACCS_154	OCCCCCCCCCCCCCC	C112721
MACCS_154	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_154	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_154	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_154	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_154	CCCCCCCCCCCCCCCC	C544763
MACCS_154	Nc1c(CC)cccc1CC	C579668
MACCS_154	O=C(C)OCCCCC	C628637
MACCS_154	CCCCCCCCCCCCCCC	C629629
MACCS_154	OCCCCCCCCCCCCCCC	C629765
MACCS_154	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_154	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_154	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_154	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_154	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_154	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_154	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_154	O=C(O)C(O)CC(=O)O	C6915157
MACCS_154	OC(OC(O)CC)CC	C25265718
MACCS_154	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_154	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_154	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_154	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_154	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_154	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_154	OC(OCCCOC)CC	C34590948
MACCS_154	OCCCCCCCCCCCCCCCC	C36653824
MACCS_154	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_154	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_154	O=C(OC)CC(=O)OC	C108598
MACCS_154	CCC12N(COC1)COC2	C7747355
MACCS_154	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_154	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_154	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_154	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_154	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_154	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_154	S=P(OCC)(OCC)SCSCC	C298022
MACCS_154	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_154	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_154	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_154	O=C1CCC(O1)CCCCCCC	C104676
MACCS_154	O=C(O)CCCCCCCCC=C	C112389
MACCS_154	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_154	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_154	CCCCCCCCN(C)C	C7378996
MACCS_154	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_154	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_154	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_154	O=C(OCC)CCC(=O)OCC	C123251
MACCS_154	O=C(CCC)OCC	C105544
MACCS_154	O=C(OCC)CCCCCC	C106309
MACCS_154	O=C(OCCCC)c1ccccc1	C136607
MACCS_154	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_154	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_154	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_154	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_154	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_154	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_154	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_154	O=C(CCC)OCCC(C)C	C106274
MACCS_154	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_154	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_154	CCCc1ccccc1	C103651
MACCS_154	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_154	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_154	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_154	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_154	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_154	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_154	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_154	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_154	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_154	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_154	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_154	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_154	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_154	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_154	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_154	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_154	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_154	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_154	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_154	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_154	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_154	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_154	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_154	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_154	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_154	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_154	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_154	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_154	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_154	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_154	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_154	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_154	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_154	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_154	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_154	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_154	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_154	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_154	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_154	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_154	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_154	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_154	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_154	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_154	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_154	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_154	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_154	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_154	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_154	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_154	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_154	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_154	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_154	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_154	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_154	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_154	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_154	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_154	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_154	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_154	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_154	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_154	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_154	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_154	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_154	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_154	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_154	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_154	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_154	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_154	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_154	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_154	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_154	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_154	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_154	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_154	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_154	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_154	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_154	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_154	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_154	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_154	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_154	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_154	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_154	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_154	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_154	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_154	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_154	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_154	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_154	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_154	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_154	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_154	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_154	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_154	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_154	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_154	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_154	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_154	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_154	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_154	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_154	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_154	C=CCCCCCCCCCCCC	C1120361
MACCS_154	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_154	OC(C(CC)CCCC)C#C	C5877429
MACCS_154	OCCCBr	C627189
MACCS_154	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_154	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_154	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_154	C(CO)C(C)C	C123513
MACCS_154	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_154	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_154	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_154	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_154	NCCOCCOCCN	C929599
MACCS_154	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_154	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_154	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_154	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_154	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_154	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_154	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_154	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_154	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_154	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_154	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_154	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_154	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_154	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_154	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_154	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_154	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_154	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_154	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_154	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_154	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_154	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_154	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_154	OCCC(OC)C	C2517433
MACCS_154	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_154	S=C(NCCCC)NCCCC	C109466
MACCS_154	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_154	O=CCC(C)CCC=C(C)C	C106230
MACCS_154	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_154	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_154	O=COCC	C109944
MACCS_154	O=C(OCC)c1ccccc1	C93890
MACCS_154	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_154	NCc1cccc(CN)c1	C1477550
MACCS_154	O=CCCSC	C3268493
MACCS_154	N(CCN(C)C)(C)C	C110189
MACCS_154	CCN(CC)CC	C121448
MACCS_154	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_154	CC(=O)OCC	C141786
MACCS_154	CC(=O)OCCCC	C123864
MACCS_154	CC(=O)CCC(C)C	C110123
MACCS_154	CC(=O)CC(C)C	C108101
MACCS_154	NCCN	C107153
MACCS_154	CCCCCC=O	C66251
MACCS_154	CCCC=O	C123728
MACCS_154	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_154	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_154	CCC1CO1	C106887
MACCS_154	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_154	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_154	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_154	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_154	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_154	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_154	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_154	O=C(CCl)CCl	C534076
MACCS_154	CC(c1ccc(CO)cc1)C	C536607
MACCS_154	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_154	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_154	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_154	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_154	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_154	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_154	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_154	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_154	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_154	O=CC=CC=CCCCCC	C25152845
MACCS_154	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_154	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_154	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_154	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_154	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_154	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_154	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_154	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_154	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_154	OCC=C(C)C	C556821
MACCS_154	ClC(=O)C(CC)CCCC	C760678
MACCS_154	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_154	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_154	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_154	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_154	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_154	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_154	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_154	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_154	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_154	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_154	OCc1c[nH]c2c1cccc2	C700061
MACCS_154	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_154	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_154	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_154	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_154	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_154	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_154	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_154	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_154	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_154	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_154	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_154	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_154	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_154	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_154	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_154	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_154	O=CCCCCCCCCC=C	C112458
MACCS_154	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_154	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_154	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_154	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_154	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_154	Br[Sn](CC)(CC)CC	C2767546
MACCS_154	O=P(OCCCC)(O)OCCCC	C107664
MACCS_154	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_154	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_154	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_154	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_154	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_154	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_154	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_154	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_154	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_154	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_154	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_154	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_154	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_154	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_154	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_154	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_154	N#CSCCCCCCCCCCCC	C765151
MACCS_154	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_154	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_154	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_154	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_154	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_154	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_154	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_154	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_154	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_154	O=C(O)CCSCCC(=O)O	C111171
MACCS_154	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_154	CCCCCCCCCCCCN.Cl	C929737
MACCS_154	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_154	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_154	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_154	BrCCCCCCCCCCCC	C143157
MACCS_154	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_154	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_154	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_154	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_154	O=C(OC)CCCC(=O)O	C1501275
MACCS_154	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_154	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_154	O=C(OCCCCO)C=C	C2478106
MACCS_154	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_154	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_154	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_154	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_154	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_154	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_154	NCCCOCCCCCCCC	C15930662
MACCS_154	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_154	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_154	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_154	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_154	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_154	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_154	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_154	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_154	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_154	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_154	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_154	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_154	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_154	O=C/C=C/CCCCCCC	C3913813
MACCS_154	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_154	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_154	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_154	S=C=NCCCSC	C505793
MACCS_154	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_154	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_154	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_154	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_154	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_154	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_154	CC/C=C\CCOC(OCC)C	C28069741
MACCS_154	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_154	NNC(=O)OCc1ccccc1	C5331431
MACCS_154	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_154	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_154	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_154	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_154	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_154	CCCCCCCCCC(C)C=O	C110418
MACCS_154	O=COCc1ccc(OC)cc1	C122918
MACCS_154	CCCCCc1ccco1	C3777693
MACCS_154	CCC(=O)C(=O)CC	C4437518
MACCS_154	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_155	C=CCO	C107186
MACCS_155	C=CCN=C=S	C57067
MACCS_155	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_155	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_155	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_155	CC(=O)OCc1ccccc1	C140114
MACCS_155	CC(CNCC(C)O)O	C110974
MACCS_155	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_155	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_155	O=CCCl	C107200
MACCS_155	ClCOC	C107302
MACCS_155	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_155	BrCCBr	C106934
MACCS_155	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_155	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_155	S=C(NCC)NCC	C105555
MACCS_155	CN(CCO)C	C108010
MACCS_155	C=CCc1ccc(cc1)OC	C140670
MACCS_155	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_155	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_155	OC(CO)CCl	C96242
MACCS_155	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_155	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_155	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_155	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_155	O=[N+](CC)[O-]	C79243
MACCS_155	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_155	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_155	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_155	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_155	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_155	ClCC(Cl)CCl	C96184
MACCS_155	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_155	O=CCc1ccccc1	C122781
MACCS_155	OCCOCCOCCOCCCC	C143226
MACCS_155	CCCCCCCCCC=O	C112312
MACCS_155	CCCCCCCCCCCC(=O)O	C143077
MACCS_155	O=CCCCCCC	C111717
MACCS_155	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_155	CCCCCCCCC=O	C124196
MACCS_155	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_155	OC(=O)CCCC	C109524
MACCS_155	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_155	OCCC	C71238
MACCS_155	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_155	OC(C)CN	C78966
MACCS_155	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_155	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_155	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_155	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_155	OCCN1CCNCC1	C103764
MACCS_155	Nc1ccc(CCCC)cc1	C104132
MACCS_155	CCOC(=O)CC(=O)OCC	C105533
MACCS_155	CC(O)CC(C)(C)O	C107415
MACCS_155	CCCC(=O)C	C107879
MACCS_155	N#CCC#N	C109773
MACCS_155	CCCCCC(=O)C	C110430
MACCS_155	C(O)C#CCO	C110656
MACCS_155	CCNCCO	C110736
MACCS_155	CCCCCCO	C111273
MACCS_155	CCCCCCCO	C111706
MACCS_155	CCCCCCCCCC(=O)C	C112129
MACCS_155	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_155	Oc1ccc(CC)cc1	C123079
MACCS_155	CCCCCC(=O)OCC	C123660
MACCS_155	CCCCCCCCCCCCN	C124221
MACCS_155	NCCN1CCNCC1	C140318
MACCS_155	CCCCCCCCCO	C143088
MACCS_155	Oc1ccc(CCC)cc1	C645567
MACCS_155	CCCCCCC1OC(=O)CC1	C706149
MACCS_155	C=CC(Cl)CCl	C760236
MACCS_155	C=CC(=O)OCCO	C818611
MACCS_155	CC/C=C\CCO	C928961
MACCS_155	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_155	CCCCCCCCCCN	C2016571
MACCS_155	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_155	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_155	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_155	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_155	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_155	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_155	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_155	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_155	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_155	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_155	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_155	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_155	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_155	c1(c(CC)cccc1)O	C90006
MACCS_155	c1c(O)cccc1CC	C620177
MACCS_155	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_155	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_155	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_155	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_155	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_155	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_155	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_155	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_155	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_155	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_155	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_155	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_155	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_155	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_155	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_155	C(=O)(O)CCC(=O)O	C110156
MACCS_155	NC(CO)(CO)CO	C77861
MACCS_155	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_155	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_155	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_155	CC(O)COC	C107982
MACCS_155	[Na+].[O-]C(=O)CF	C62748
MACCS_155	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_155	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_155	ON=CCCC	C110690
MACCS_155	OCCCCO	C110634
MACCS_155	O=C(OCCCC)C=C	C141322
MACCS_155	C(OCCCC)C1CO1	C2426086
MACCS_155	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_155	C(C(=O)C)C(C)(C)O	C123422
MACCS_155	C(CCN)CCCN	C124094
MACCS_155	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_155	N(CCN)CCN	C111400
MACCS_155	O=C(CC(C)C)CC(C)C	C108838
MACCS_155	N(CCCN)(C)C	C109557
MACCS_155	OCNC(=O)NCO	C140954
MACCS_155	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_155	C(CCCCCC)CCCCCS	C112550
MACCS_155	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_155	O=C(OCC)c1c(N)cccc1	C87252
MACCS_155	C(CC)(C=O)CCCC	C123057
MACCS_155	OCC(C(O)CCC)CC	C94962
MACCS_155	CCC(=CCCC)C=O	C645625
MACCS_155	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_155	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_155	c1c(CO)occ1	C98000
MACCS_155	O=CCCCC=O	C111308
MACCS_155	C(=O)(O)CO	C79141
MACCS_155	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_155	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_155	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_155	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_155	N#CC(CCC#N)C	C4553622
MACCS_155	C(CCCCCCC)C	C111842
MACCS_155	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_155	O(c1ccc(N)cc1)CC	C156434
MACCS_155	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_155	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_155	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_155	O=C(O)CS	C68111
MACCS_155	O=P(OCC)(OCC)OCC	C78400
MACCS_155	ClCCOP(OCCCl)OCCCl	C140089
MACCS_155	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_155	OCCc1ccccc1	C60128
MACCS_155	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_155	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_155	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_155	O=C(C)OCC(CC)CCCC	C103093
MACCS_155	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_155	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_155	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_155	O=C(OC)CCCCCCCCC	C110429
MACCS_155	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_155	O=C(C)OCCOC(=O)C	C111557
MACCS_155	O=C(C)OCCOCCCC	C112072
MACCS_155	CCCCCCCCCCCCN(C)C	C112185
MACCS_155	OCCOCCOCCOC	C112356
MACCS_155	OCCOCCOCCOCCO	C112607
MACCS_155	OCC(CO)(CO)CO	C115775
MACCS_155	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_155	OC(CCCCCC)C	C123966
MACCS_155	OCC(N)(C)C	C124685
MACCS_155	OCC(C)(C)CO	C126307
MACCS_155	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_155	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_155	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_155	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_155	OC(C)COc1ccccc1	C770354
MACCS_155	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_155	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_155	O=C(N(C)C)CCCCCCC	C1118929
MACCS_155	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_155	OCCOCCOCCOCCOCCCC	C1559348
MACCS_155	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_155	O=C(N(C)C)CC(=O)C	C2044646
MACCS_155	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_155	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_155	OCCOCCC	C2807309
MACCS_155	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_155	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_155	O=C(CCl)[O-].[Na+]	C3926623
MACCS_155	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_155	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_155	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_155	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_155	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_155	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_155	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_155	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_155	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_155	Nc1c(C)cccc1CC	C24549062
MACCS_155	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_155	CC(CO)O	C25322694
MACCS_155	SC(C)(C)CCCCCC	C25360105
MACCS_155	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_155	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_155	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_155	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_155	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_155	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_155	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_155	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_155	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_155	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_155	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_155	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_155	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_155	OC(CCCC(C)C)(C)CC	C78693
MACCS_155	OCC1OCCC1	C97994
MACCS_155	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_155	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_155	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_155	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_155	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_155	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_155	OC(C)COCCC	C1569013
MACCS_155	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_155	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_155	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_155	OCC(CCC)CCCCC	C10042598
MACCS_155	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_155	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_155	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_155	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_155	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_155	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_155	OCCC(C)CC(C)(C)C	C3452979
MACCS_155	OC(OCCCC)CC	C29387868
MACCS_155	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_155	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_155	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_155	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_155	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_155	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_155	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_155	OCn1nc(C)cc1C	C85264331
MACCS_155	OCCSCCCCCCCC	C3547339
MACCS_155	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_155	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_155	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_155	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_155	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_155	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_155	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_155	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_155	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_155	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_155	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_155	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_155	O=C1OC(CCCCC)CC1	C104610
MACCS_155	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_155	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_155	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_155	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_155	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_155	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_155	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_155	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_155	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_155	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_155	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_155	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_155	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_155	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_155	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_155	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_155	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_155	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_155	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_155	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_155	OC(CCCCC)C=C	C3391864
MACCS_155	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_155	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_155	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_155	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_155	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_155	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_155	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_155	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_155	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_155	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_155	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_155	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_155	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_155	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_155	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_155	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_155	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_155	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_155	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_155	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_155	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_155	O=C(CC)OCC	C105373
MACCS_155	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_155	O=C1OCC(CC)O1	C4437858
MACCS_155	O=C(CBr)OCc1ccccc1	C5437456
MACCS_155	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_155	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_155	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_155	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_155	Nc1ccc(CCCCC)cc1	C33228443
MACCS_155	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_155	O=C(OCC)c1c(C)cccc1	C87241
MACCS_155	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_155	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_155	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_155	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_155	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_155	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_155	CC(O)COCC	C1569024
MACCS_155	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_155	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_155	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_155	Oc1ccccc1CN(C)C	C120650
MACCS_155	O=C1CCC(O1)CC	C695067
MACCS_155	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_155	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_155	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_155	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_155	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_155	O=C(Nc1ccccc1)CCl	C587655
MACCS_155	OC(CCCC(C)C)(C)C	C13254347
MACCS_155	O=C/C=C/CCC	C6728263
MACCS_155	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_155	OC(CC(C)C)(C)C#C	C107540
MACCS_155	O=C(C)OCC/C=C\CC	C3681718
MACCS_155	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_155	OCC=Cc1ccccc1	C104541
MACCS_155	CCC(c1ccccc1)CCC	C4468422
MACCS_155	O=CCC/C=C\CCCCC	C21662099
MACCS_155	O=c1ccoc(CC)c1O	C4940118
MACCS_155	NCCCN1CCOCC1	C123002
MACCS_155	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_155	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_155	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_155	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_155	O=C(CCC)OCCCCC	C540181
MACCS_155	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_155	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_155	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_155	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_155	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_155	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_155	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_155	OP(OCC)OCC	C762049
MACCS_155	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_155	c1(Cc2ccccc2)ccccc1	C101815
MACCS_155	OCCOCC(CC)CCCC	C1559359
MACCS_155	O=C(CC)CCCCC	C106683
MACCS_155	OCCN(CC)CCO	C139877
MACCS_155	CCOC(OCC)OCC	C122510
MACCS_155	CCO[Si](OCC)(OCC)CC	C78079
MACCS_155	O=C(CF)O	C144490
MACCS_155	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_155	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_155	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_155	O=C(CCC)OCCCCCCC	C5870939
MACCS_155	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_155	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_155	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_155	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_155	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_155	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_155	OC(C)C(=O)OCCCC	C138227
MACCS_155	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_155	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_155	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_155	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_155	Oc1c(OCC)cccc1	C94713
MACCS_155	COc1ccc(CCC)cc1	C104450
MACCS_155	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_155	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_155	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_155	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_155	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_155	OC(CO)c1ccccc1	C93561
MACCS_155	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_155	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_155	CCO[Si](OCC)(C)OCC	C2031676
MACCS_155	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_155	CO[Si](OC)(CCC)OC	C1067250
MACCS_155	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_155	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_155	O=C(C)OCCCCCCCC	C112141
MACCS_155	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_155	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_155	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_155	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_155	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_155	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_155	NCCN.I.I	C5700492
MACCS_155	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_155	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_155	OCC(CCCC)CCCCCC	C3913028
MACCS_155	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_155	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_155	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_155	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_155	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_155	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_155	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_155	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_155	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_155	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_155	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_155	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_155	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_155	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_155	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_155	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_155	Oc1ccc(CCCC)cc1	C1638228
MACCS_155	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_155	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_155	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_155	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_155	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_155	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_155	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_155	OCCOCC(C)OCCO	C9003116
MACCS_155	O=C1OC(CCC)CC1	C105215
MACCS_155	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_155	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_155	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_155	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_155	Nc1ccc(CCC)cc1	C2696846
MACCS_155	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_155	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_155	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_155	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_155	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_155	Clc1ccc(CCCC)cc1	C15499271
MACCS_155	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_155	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_155	O=C1CCC(CCC)CC1	C40649363
MACCS_155	Nc1ccc(cc1)OCCCC	C4344552
MACCS_155	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_155	OC1CCC(CCCC)CC1	C70568604
MACCS_155	Clc1ccc(CCCCC)cc1	C79098207
MACCS_155	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_155	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_155	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_155	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_155	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_155	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_155	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_155	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_155	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_155	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_155	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_155	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_155	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_155	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_155	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_155	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_155	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_155	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_155	c1ccccc1OCCO	C122996
MACCS_155	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_155	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_155	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_155	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_155	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_155	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_155	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_155	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_155	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_155	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_155	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_155	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_155	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_155	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_155	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_155	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_155	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_155	ClCCP(=O)(O)O	C16672870
MACCS_155	CCCN(CCC)C(=O)SCC	C759944
MACCS_155	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_155	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_155	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_155	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_155	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_155	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_155	OCCOC	C109864
MACCS_155	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_155	O=C(SCC)N1CCCCCC1	C2212671
MACCS_155	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_155	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_155	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_155	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_155	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_155	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_155	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_155	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_155	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_155	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_155	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_155	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_155	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_155	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_155	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_155	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_155	C(SC#N)SC#N	C6317186
MACCS_155	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_155	O=C(NCCCC)OCC#CI	C55406536
MACCS_155	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_155	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_155	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_155	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_155	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_155	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_155	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_155	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_155	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_155	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_155	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_155	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_155	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_155	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_155	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_155	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_155	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_155	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_155	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_155	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_155	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_155	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_155	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_155	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_155	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_155	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_155	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_155	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_155	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_155	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_155	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_155	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_155	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_155	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_155	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_155	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_155	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_155	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_155	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_155	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_155	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_155	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_155	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_155	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_155	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_155	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_155	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_155	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_155	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_155	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_155	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_155	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_155	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_155	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_155	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_155	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_155	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_155	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_155	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_155	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_155	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_155	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_155	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_155	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_155	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_155	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_155	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_155	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_155	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_155	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_155	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_155	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_155	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_155	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_155	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_155	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_155	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_155	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_155	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_155	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_155	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_155	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_155	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_155	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_155	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_155	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_155	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_155	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_155	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_155	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_155	OCc1ccccc1	C100516
MACCS_155	OCC(CO)(CBr)CBr	C3296900
MACCS_155	ClCCOCCCl	C111444
MACCS_155	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_155	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_155	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_155	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_155	O=C(c1ccccc1)CCl	C532274
MACCS_155	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_155	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_155	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_155	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_155	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_155	OCCOCCO	C111466
MACCS_155	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_155	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_155	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_155	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_155	C(CO)O	C107211
MACCS_155	CCC(CCCC)CO	C104767
MACCS_155	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_155	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_155	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_155	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_155	OCC(O)CO	C56815
MACCS_155	OCC1CO1	C556525
MACCS_155	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_155	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_155	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_155	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_155	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_155	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_155	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_155	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_155	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_155	O=NN(CCCC)CCCC	C924163
MACCS_155	CCN(CC)N=O	C55185
MACCS_155	O=NN(CCC)CCC	C621647
MACCS_155	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_155	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_155	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_155	CC(CO)O	C57556
MACCS_155	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_155	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_155	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_155	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_155	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_155	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_155	OCCN(CCO)CCO	C102716
MACCS_155	OCCOCCOCCO	C112276
MACCS_155	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_155	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_155	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_155	NC(=O)OCC	C51796
MACCS_155	OC(=O)CCC	C107926
MACCS_155	CCCCOCCOCCO	C112345
MACCS_155	CCCCCCCCCC(=O)O	C334485
MACCS_155	O=C(O)CCCCCC	C111148
MACCS_155	OC(=O)CCCCC(=O)O	C124049
MACCS_155	CCCCCC(=O)O	C142621
MACCS_155	CCCCCCCCC(=O)O	C112050
MACCS_155	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_155	CCCCCCCC=O	C124130
MACCS_155	CCCCCCCC(=O)O	C124072
MACCS_155	CCCCC=O	C110623
MACCS_155	CCCCCCCCCCC	C1120214
MACCS_155	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_155	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_155	CCN(CC)c1ccccc1	C91667
MACCS_155	CCC(=NO)C	C96297
MACCS_155	CCN(CCO)CC	C100378
MACCS_155	CCNc1cc(C)ccc1	C102272
MACCS_155	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_155	ClCCO	C107073
MACCS_155	CC(=O)OCCOCC	C111159
MACCS_155	OCCNCCO	C111422
MACCS_155	N#CCCCCC#N	C111693
MACCS_155	CCCCCCCCO	C111875
MACCS_155	CCOCCOCCO	C111900
MACCS_155	CCCCCCCCCCO	C112301
MACCS_155	CCCCCCCCCCCCCO	C112709
MACCS_155	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_155	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_155	OCCN	C141435
MACCS_155	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_155	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_155	c1(c(O)cccc1)C(CC)C	C89725
MACCS_155	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_155	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_155	c1(CCCC)ccccc1	C104518
MACCS_155	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_155	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_155	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_155	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_155	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_155	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_155	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_155	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_155	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_155	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_155	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_155	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_155	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_155	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_155	C(=O)(O)C(CCC)CCC	C99661
MACCS_155	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_155	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_155	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_155	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_155	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_155	O=S(=O)(OCC)OCC	C64675
MACCS_155	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_155	CCOCCO	C110805
MACCS_155	CCCCOCCO	C111762
MACCS_155	O=C=NCCCCCCN=C=O	C822060
MACCS_155	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_155	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_155	OCCOCCOCCOCC	C112505
MACCS_155	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_155	O(CCOC)CCOC	C111966
MACCS_155	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_155	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_155	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_155	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_155	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_155	C(CCCCCCCC)C	C124185
MACCS_155	OC(CCl)CCl	C96231
MACCS_155	O(CCOC)CCO	C111773
MACCS_155	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_155	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_155	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_155	COC(=O)CCCC(=O)OC	C1119400
MACCS_155	C(=O)(OC)CCC(=O)OC	C106650
MACCS_155	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_155	N(c1ccccc1)CC	C103695
MACCS_155	O=C(O)C(CCCC)CC	C149575
MACCS_155	C(CC(C)C)OC(=O)C	C123922
MACCS_155	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_155	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_155	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_155	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_155	O=c1ccsn1CCCCCCCC	C26530201
MACCS_155	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_155	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_155	N(CCCC)(CCCC)CCCC	C102829
MACCS_155	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_155	C(OCCOC)COCCOC	C112492
MACCS_155	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_155	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_155	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_155	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_155	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_155	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_155	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_155	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_155	OCCC(C)CCC=C(C)C	C106229
MACCS_155	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_155	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_155	OCCC(O)C	C107880
MACCS_155	OC(CC(C)C)C	C108112
MACCS_155	O=C(OC)CCCCCCC	C111115
MACCS_155	O=C(OC)CCCCCCCCCCC	C111820
MACCS_155	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_155	OCCOCCCCCC	C112254
MACCS_155	OCCCCCCCCCCC	C112425
MACCS_155	OCCCCCCCCCCCC	C112538
MACCS_155	OCCCCCCCCCCCCCC	C112721
MACCS_155	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_155	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_155	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_155	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_155	CCCCCCCCCCCCCCCC	C544763
MACCS_155	Nc1c(CC)cccc1CC	C579668
MACCS_155	O=C(C)OCCCCC	C628637
MACCS_155	CCCCCCCCCCCCCCC	C629629
MACCS_155	OCCCCCCCCCCCCCCC	C629765
MACCS_155	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_155	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_155	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_155	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_155	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_155	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_155	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_155	O=C(O)C(O)CC(=O)O	C6915157
MACCS_155	OC(OC(O)CC)CC	C25265718
MACCS_155	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_155	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_155	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_155	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_155	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_155	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_155	OC(OCCCOC)CC	C34590948
MACCS_155	OCCCCCCCCCCCCCCCC	C36653824
MACCS_155	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_155	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_155	O=C(OC)CC(=O)OC	C108598
MACCS_155	CCC12N(COC1)COC2	C7747355
MACCS_155	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_155	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_155	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_155	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_155	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_155	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_155	S=P(OCC)(OCC)SCSCC	C298022
MACCS_155	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_155	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_155	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_155	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_155	O=C1CCC(O1)CCCCCCC	C104676
MACCS_155	O=C(O)CCCCCCCCC=C	C112389
MACCS_155	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_155	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_155	CCCCCCCCN(C)C	C7378996
MACCS_155	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_155	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_155	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_155	O=C(OCC)CCC(=O)OCC	C123251
MACCS_155	O=C(CCC)OCC	C105544
MACCS_155	O=C(OCC)CCCCCC	C106309
MACCS_155	O=C(OCCCC)c1ccccc1	C136607
MACCS_155	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_155	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_155	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_155	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_155	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_155	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_155	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_155	O=C(CCC)OCCC(C)C	C106274
MACCS_155	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_155	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_155	CCCc1ccccc1	C103651
MACCS_155	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_155	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_155	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_155	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_155	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_155	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_155	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_155	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_155	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_155	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_155	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_155	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_155	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_155	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_155	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_155	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_155	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_155	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_155	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_155	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_155	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_155	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_155	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_155	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_155	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_155	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_155	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_155	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_155	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_155	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_155	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_155	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_155	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_155	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_155	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_155	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_155	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_155	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_155	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_155	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_155	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_155	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_155	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_155	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_155	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_155	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_155	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_155	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_155	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_155	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_155	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_155	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_155	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_155	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_155	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_155	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_155	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_155	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_155	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_155	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_155	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_155	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_155	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_155	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_155	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_155	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_155	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_155	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_155	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_155	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_155	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_155	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_155	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_155	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_155	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_155	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_155	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_155	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_155	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_155	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_155	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_155	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_155	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_155	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_155	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_155	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_155	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_155	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_155	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_155	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_155	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_155	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_155	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_155	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_155	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_155	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_155	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_155	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_155	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_155	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_155	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
MACCS_155	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_155	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_155	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_155	C=CCCCCCCCCCCCC	C1120361
MACCS_155	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_155	OC(C(CC)CCCC)C#C	C5877429
MACCS_155	OCCCBr	C627189
MACCS_155	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_155	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_155	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_155	C(CO)C(C)C	C123513
MACCS_155	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_155	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_155	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_155	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_155	NCCOCCOCCN	C929599
MACCS_155	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_155	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_155	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_155	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_155	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_155	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_155	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_155	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_155	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_155	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_155	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_155	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_155	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_155	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_155	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_155	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_155	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_155	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_155	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_155	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_155	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_155	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_155	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_155	OCCC(OC)C	C2517433
MACCS_155	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_155	S=C(NCCCC)NCCCC	C109466
MACCS_155	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_155	O=CCC(C)CCC=C(C)C	C106230
MACCS_155	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_155	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_155	O=COCC	C109944
MACCS_155	O=C(OCC)c1ccccc1	C93890
MACCS_155	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_155	NCc1cccc(CN)c1	C1477550
MACCS_155	O=CCCSC	C3268493
MACCS_155	N(CCN(C)C)(C)C	C110189
MACCS_155	CCN(CC)CC	C121448
MACCS_155	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_155	CC(=O)OCC	C141786
MACCS_155	CC(=O)OCCCC	C123864
MACCS_155	CC(=O)CCC(C)C	C110123
MACCS_155	CC(=O)CC(C)C	C108101
MACCS_155	NCCN	C107153
MACCS_155	CCCCCC=O	C66251
MACCS_155	CCCC=O	C123728
MACCS_155	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_155	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_155	CCC1CO1	C106887
MACCS_155	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_155	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_155	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_155	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_155	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_155	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_155	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_155	O=C(CCl)CCl	C534076
MACCS_155	CC(c1ccc(CO)cc1)C	C536607
MACCS_155	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_155	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_155	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_155	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_155	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_155	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_155	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_155	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_155	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_155	O=CC=CC=CCCCCC	C25152845
MACCS_155	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_155	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_155	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_155	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_155	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_155	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_155	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_155	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_155	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_155	OCC=C(C)C	C556821
MACCS_155	ClC(=O)C(CC)CCCC	C760678
MACCS_155	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_155	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_155	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_155	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_155	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_155	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_155	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_155	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_155	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_155	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_155	OCc1c[nH]c2c1cccc2	C700061
MACCS_155	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_155	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_155	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_155	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_155	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_155	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_155	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_155	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_155	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_155	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_155	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_155	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_155	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_155	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_155	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_155	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_155	O=CCCCCCCCCC=C	C112458
MACCS_155	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_155	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_155	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_155	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_155	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_155	Br[Sn](CC)(CC)CC	C2767546
MACCS_155	O=P(OCCCC)(O)OCCCC	C107664
MACCS_155	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_155	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_155	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_155	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_155	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_155	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_155	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_155	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_155	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_155	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_155	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_155	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_155	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_155	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_155	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_155	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_155	N#CSCCCCCCCCCCCC	C765151
MACCS_155	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_155	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_155	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_155	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_155	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_155	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_155	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_155	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_155	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_155	O=C(O)CCSCCC(=O)O	C111171
MACCS_155	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_155	CCCCCCCCCCCCN.Cl	C929737
MACCS_155	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_155	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_155	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_155	BrCCCCCCCCCCCC	C143157
MACCS_155	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_155	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_155	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_155	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_155	O=C(OC)CCCC(=O)O	C1501275
MACCS_155	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_155	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_155	O=C(OCCCCO)C=C	C2478106
MACCS_155	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_155	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_155	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_155	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_155	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_155	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_155	NCCCOCCCCCCCC	C15930662
MACCS_155	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_155	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_155	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_155	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_155	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_155	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_155	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_155	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_155	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_155	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_155	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_155	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_155	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_155	O=C/C=C/CCCCCCC	C3913813
MACCS_155	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_155	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_155	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_155	S=C=NCCCSC	C505793
MACCS_155	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_155	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_155	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_155	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_155	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_155	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_155	CC/C=C\CCOC(OCC)C	C28069741
MACCS_155	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_155	NNC(=O)OCc1ccccc1	C5331431
MACCS_155	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_155	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_155	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_155	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_155	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_155	CCCCCCCCCC(C)C=O	C110418
MACCS_155	O=COCc1ccc(OC)cc1	C122918
MACCS_155	CCCCCc1ccco1	C3777693
MACCS_155	CCC(=O)C(=O)CC	C4437518
MACCS_155	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_156	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_156	C=CCO	C107186
MACCS_156	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_156	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_156	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_156	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_156	CC(=O)OCc1ccccc1	C140114
MACCS_156	CC(CNCC(C)O)O	C110974
MACCS_156	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_156	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_156	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_156	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_156	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_156	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_156	ClCOC	C107302
MACCS_156	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_156	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_156	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_156	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_156	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_156	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_156	CN(CCO)C	C108010
MACCS_156	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_156	C=CCc1ccc(cc1)OC	C140670
MACCS_156	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_156	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_156	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_156	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_156	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_156	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_156	OC(CO)CCl	C96242
MACCS_156	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_156	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_156	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_156	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_156	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_156	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_156	COc1ccc(cc1)O	C150765
MACCS_156	NC(=O)OC	C598550
MACCS_156	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_156	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_156	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_156	OC(=O)c1cccnc1	C59676
MACCS_156	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_156	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_156	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_156	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_156	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_156	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_156	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_156	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_156	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_156	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_156	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_156	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_156	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_156	O=P(OC)(OC)OC	C512561
MACCS_156	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_156	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_156	O=C(O)/C=C\C(=O)O	C110167
MACCS_156	OC(=O)/C=C/C(=O)O	C110178
MACCS_156	OCCOCCOCCOCCCC	C143226
MACCS_156	CCCCCCCCCCCC(=O)O	C143077
MACCS_156	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_156	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_156	OC(=O)CCCC	C109524
MACCS_156	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_156	c1(O)ccccc1C(=O)N	C65452
MACCS_156	OCCC	C71238
MACCS_156	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_156	OC(C)CN	C78966
MACCS_156	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_156	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_156	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_156	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_156	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_156	O=Cc1ccccc1O	C90028
MACCS_156	Oc1cccc2ccccc12	C90153
MACCS_156	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_156	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_156	c1ccccc1Oc1ccccc1	C101848
MACCS_156	OCCN1CCNCC1	C103764
MACCS_156	CCOC(=O)CC(=O)OCC	C105533
MACCS_156	Oc1ccc(Cl)cc1	C106489
MACCS_156	CC(O)CC(C)(C)O	C107415
MACCS_156	C1CCCCC1O	C108930
MACCS_156	C(O)C#CCO	C110656
MACCS_156	CCNCCO	C110736
MACCS_156	CCCCCCO	C111273
MACCS_156	CCCCCCCO	C111706
MACCS_156	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_156	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_156	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_156	Oc1ccc(CC)cc1	C123079
MACCS_156	CCCCCC(=O)OCC	C123660
MACCS_156	CCCCCCCCCO	C143088
MACCS_156	COc1ccc(OC)cc1	C150787
MACCS_156	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_156	O=C(OC(C)(C)C)C	C540885
MACCS_156	Oc1ccc(CCC)cc1	C645567
MACCS_156	CCCCCCC1OC(=O)CC1	C706149
MACCS_156	C=CC(=O)OCCO	C818611
MACCS_156	CC/C=C\CCO	C928961
MACCS_156	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_156	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_156	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_156	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_156	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_156	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_156	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_156	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_156	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_156	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_156	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_156	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_156	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_156	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_156	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_156	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_156	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_156	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_156	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_156	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_156	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_156	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_156	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_156	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_156	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_156	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_156	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_156	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_156	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_156	c1(c(CC)cccc1)O	C90006
MACCS_156	c1c(O)cccc1CC	C620177
MACCS_156	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_156	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_156	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_156	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_156	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_156	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_156	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_156	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_156	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_156	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_156	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_156	c1cccc(OC)c1O	C90051
MACCS_156	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_156	C(=O)(O)C(C)O	C50215
MACCS_156	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_156	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_156	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_156	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_156	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_156	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_156	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_156	C(=O)(O)CCC(=O)O	C110156
MACCS_156	NC(CO)(CO)CO	C77861
MACCS_156	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_156	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_156	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_156	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_156	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_156	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_156	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_156	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_156	Cc1cc(O)ccc1	C108394
MACCS_156	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_156	CC(O)COC	C107982
MACCS_156	[Na+].[O-]C(=O)CF	C62748
MACCS_156	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_156	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_156	OCCCCO	C110634
MACCS_156	O=C(OCCCC)C=C	C141322
MACCS_156	C(OCCCC)C1CO1	C2426086
MACCS_156	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_156	C(C(=O)C)C(C)(C)O	C123422
MACCS_156	Oc1cc(Cl)ccc1Cl	C583788
MACCS_156	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_156	N(C)(C)c1cccc(O)c1	C99070
MACCS_156	OCNC(=O)NCO	C140954
MACCS_156	Cc1c(C)cccc1O	C526750
MACCS_156	Cc1cc(C)cc(O)c1	C108689
MACCS_156	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_156	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_156	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_156	O=C(OCC)c1c(N)cccc1	C87252
MACCS_156	OCC(C(O)CCC)CC	C94962
MACCS_156	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_156	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_156	c1c(CO)occ1	C98000
MACCS_156	C(=O)(O)CO	C79141
MACCS_156	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_156	C(C)(C)(O)C#N	C75865
MACCS_156	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_156	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_156	O(C(C)C)C(=O)C	C108214
MACCS_156	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_156	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_156	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_156	C1COCCN1	C110918
MACCS_156	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_156	C(=O)(O)C(=O)O	C144627
MACCS_156	O(c1ccc(N)cc1)CC	C156434
MACCS_156	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_156	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_156	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_156	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_156	O=C(O)CS	C68111
MACCS_156	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_156	O=P(OCC)(OCC)OCC	C78400
MACCS_156	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_156	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_156	ClCCOP(OCCCl)OCCCl	C140089
MACCS_156	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_156	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_156	OCCc1ccccc1	C60128
MACCS_156	O=C(O)c1ccccc1O	C69727
MACCS_156	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_156	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_156	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_156	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_156	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_156	O=C(O)c1ccc(O)cc1	C99967
MACCS_156	O=C(C)OCC(CC)CCCC	C103093
MACCS_156	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_156	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_156	O=C1OCC(C)O1	C108327
MACCS_156	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_156	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_156	O=C(OC)CCCCCCCCC	C110429
MACCS_156	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_156	O=C(C)OCCOC(=O)C	C111557
MACCS_156	O=C(C)OCCOCCCC	C112072
MACCS_156	OCCOCCOCCOC	C112356
MACCS_156	OCCOCCOCCOCCO	C112607
MACCS_156	OCC(CO)(CO)CO	C115775
MACCS_156	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_156	O=Cc1ccc(OC)cc1	C123115
MACCS_156	OC(CCCCCC)C	C123966
MACCS_156	OCC(N)(C)C	C124685
MACCS_156	OCC(C)(C)CO	C126307
MACCS_156	Oc1ccc2ccccc2c1	C135193
MACCS_156	[O-]c1ccccc1.[Na+]	C139026
MACCS_156	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_156	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_156	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_156	O=COC(C)C	C625558
MACCS_156	OC(C)COc1ccccc1	C770354
MACCS_156	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_156	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_156	O=C(N)[O-].[NH4+]	C1111780
MACCS_156	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_156	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_156	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_156	OCCOCCOCCOCCOCCCC	C1559348
MACCS_156	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_156	OC1CCCCCCCCCCC1	C1724396
MACCS_156	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_156	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_156	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_156	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_156	OCCOCCC	C2807309
MACCS_156	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_156	O=C(CCl)[O-].[Na+]	C3926623
MACCS_156	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_156	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_156	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_156	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_156	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_156	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_156	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_156	CC(CO)O	C25322694
MACCS_156	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_156	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_156	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_156	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_156	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_156	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_156	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_156	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_156	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_156	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_156	OC(CCCC(C)C)(C)CC	C78693
MACCS_156	OCC1OCCC1	C97994
MACCS_156	O=C(c1ccc(O)cc1)C	C99934
MACCS_156	CN1CCOCC1	C109024
MACCS_156	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_156	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_156	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_156	OC(C)COCCC	C1569013
MACCS_156	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_156	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_156	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_156	OCC(CCC)CCCCC	C10042598
MACCS_156	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_156	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_156	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_156	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_156	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_156	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_156	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_156	OC1CC(CCC1C(C)C)C	C1490046
MACCS_156	OCCC(C)CC(C)(C)C	C3452979
MACCS_156	OC(OCCCC)CC	C29387868
MACCS_156	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_156	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_156	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_156	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_156	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_156	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_156	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_156	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_156	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_156	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_156	OCn1nc(C)cc1C	C85264331
MACCS_156	OCCSCCCCCCCC	C3547339
MACCS_156	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_156	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_156	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_156	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_156	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_156	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_156	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_156	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_156	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_156	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_156	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_156	OC1CCCC1	C96413
MACCS_156	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_156	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_156	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_156	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_156	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_156	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_156	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_156	O=C1OC(CCCCC)CC1	C104610
MACCS_156	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_156	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_156	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_156	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_156	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_156	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_156	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_156	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_156	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_156	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_156	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_156	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_156	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_156	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_156	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_156	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_156	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_156	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_156	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_156	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_156	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_156	OC(CCCCC)C=C	C3391864
MACCS_156	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_156	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_156	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_156	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_156	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_156	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_156	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_156	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_156	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_156	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_156	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_156	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_156	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_156	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_156	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_156	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_156	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_156	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_156	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_156	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_156	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_156	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_156	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_156	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_156	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_156	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_156	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_156	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_156	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_156	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_156	O=C(CC)OCC	C105373
MACCS_156	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_156	O=C(c1ccccc1O)C	C118934
MACCS_156	O=C1OCC(CC)O1	C4437858
MACCS_156	O=C(CBr)OCc1ccccc1	C5437456
MACCS_156	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_156	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_156	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_156	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_156	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_156	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_156	O=C(OCC)c1c(C)cccc1	C87241
MACCS_156	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_156	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_156	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_156	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_156	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_156	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_156	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_156	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_156	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_156	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_156	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_156	CC(O)COCC	C1569024
MACCS_156	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_156	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_156	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_156	Oc1ccccc1CN(C)C	C120650
MACCS_156	O=C1CCC(O1)CC	C695067
MACCS_156	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_156	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_156	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_156	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_156	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_156	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_156	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_156	OC(CCCC(C)C)(C)C	C13254347
MACCS_156	O1C=CCCC1	C110872
MACCS_156	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_156	OC(CC(C)C)(C)C#C	C107540
MACCS_156	O=C(C)OCC/C=C\CC	C3681718
MACCS_156	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_156	OCC=Cc1ccccc1	C104541
MACCS_156	O=c1ccoc(CC)c1O	C4940118
MACCS_156	NCCCN1CCOCC1	C123002
MACCS_156	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_156	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_156	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_156	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_156	O=C(CCC)OCCCCC	C540181
MACCS_156	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_156	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_156	O=C(C)OC(C)c1ccccc1	C93925
MACCS_156	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_156	N#Cc1c(O)cccc1	C611201
MACCS_156	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_156	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_156	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_156	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_156	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_156	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_156	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_156	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_156	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_156	OC1CC(C)(C)CC(C)C1	C116029
MACCS_156	OP(OCC)OCC	C762049
MACCS_156	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_156	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_156	OCCOCC(CC)CCCC	C1559359
MACCS_156	OCCN(CC)CCO	C139877
MACCS_156	CCOC(OCC)OCC	C122510
MACCS_156	CCO[Si](OCC)(OCC)CC	C78079
MACCS_156	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_156	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_156	O=C(CF)O	C144490
MACCS_156	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_156	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_156	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_156	O=C(CCC)OCCCCCCC	C5870939
MACCS_156	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_156	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_156	Oc1cc(C(C)C)ccc1C	C499752
MACCS_156	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_156	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_156	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_156	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_156	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_156	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_156	OC(C)C(=O)OCCCC	C138227
MACCS_156	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_156	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_156	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_156	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_156	Oc1c(OCC)cccc1	C94713
MACCS_156	Oc1ccc(C(C)C)cc1	C99898
MACCS_156	COc1ccc(CCC)cc1	C104450
MACCS_156	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_156	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_156	CO[Si](C)(C)OC	C1112396
MACCS_156	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_156	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_156	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_156	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_156	OC(CO)c1ccccc1	C93561
MACCS_156	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_156	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_156	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_156	CCO[Si](OCC)(C)OCC	C2031676
MACCS_156	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_156	CO[Si](OC)(CCC)OC	C1067250
MACCS_156	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_156	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_156	O=C(C)OCCCCCCCC	C112141
MACCS_156	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_156	Oc1c(C(C)C)cccc1	C88697
MACCS_156	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_156	Oc1cc(C(C)C)ccc1	C618451
MACCS_156	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_156	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_156	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_156	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_156	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_156	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_156	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_156	OCC(CCCC)CCCCCC	C3913028
MACCS_156	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_156	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_156	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_156	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_156	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_156	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_156	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_156	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_156	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_156	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_156	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_156	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_156	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_156	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_156	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_156	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_156	Oc1ccc(CCCC)cc1	C1638228
MACCS_156	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_156	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_156	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_156	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_156	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_156	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_156	OCCOCC(C)OCCO	C9003116
MACCS_156	O=C1OC(CCC)CC1	C105215
MACCS_156	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_156	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_156	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_156	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_156	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_156	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_156	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_156	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_156	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_156	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_156	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_156	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_156	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_156	Nc1ccc(cc1)OCCCC	C4344552
MACCS_156	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_156	OC1CCC(CCCC)CC1	C70568604
MACCS_156	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_156	O=C(OC)c1c(C)cccc1	C89714
MACCS_156	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_156	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_156	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_156	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_156	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_156	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_156	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_156	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_156	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_156	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_156	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_156	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_156	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_156	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_156	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_156	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_156	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_156	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_156	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_156	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_156	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_156	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_156	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_156	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_156	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_156	Oc1c(cccc1)c1ccccc1	C90437
MACCS_156	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_156	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_156	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_156	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_156	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_156	c1ccccc1OCCO	C122996
MACCS_156	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_156	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_156	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_156	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_156	CSC(=NOC(=O)NC)C	C16752775
MACCS_156	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_156	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_156	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_156	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_156	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_156	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_156	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_156	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_156	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_156	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_156	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_156	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_156	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_156	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_156	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_156	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_156	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_156	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_156	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_156	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_156	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_156	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_156	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_156	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_156	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_156	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_156	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_156	NP(=O)(OC)SC	C10265926
MACCS_156	OCCOC	C109864
MACCS_156	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_156	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_156	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_156	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_156	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_156	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_156	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_156	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_156	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_156	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_156	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_156	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_156	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_156	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_156	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_156	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_156	O=C(NCCCC)OCC#CI	C55406536
MACCS_156	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_156	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_156	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_156	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_156	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_156	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_156	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_156	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_156	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_156	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_156	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_156	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_156	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_156	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_156	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_156	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_156	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_156	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_156	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_156	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_156	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_156	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_156	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_156	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_156	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_156	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_156	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_156	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_156	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_156	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_156	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_156	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_156	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_156	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_156	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_156	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_156	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_156	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_156	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_156	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_156	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_156	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_156	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_156	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_156	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_156	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_156	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_156	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_156	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_156	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_156	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_156	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_156	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_156	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_156	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_156	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_156	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_156	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_156	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_156	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_156	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_156	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_156	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_156	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_156	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_156	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_156	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_156	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_156	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_156	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_156	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_156	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_156	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_156	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_156	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_156	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_156	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_156	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_156	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_156	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_156	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_156	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_156	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_156	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_156	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_156	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_156	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_156	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_156	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_156	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_156	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_156	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_156	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_156	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_156	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_156	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_156	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_156	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_156	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_156	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_156	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_156	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_156	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_156	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_156	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_156	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_156	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_156	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_156	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_156	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_156	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_156	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_156	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_156	OC(=O)c1ccccc1	C65850
MACCS_156	OCc1ccccc1	C100516
MACCS_156	OCC(CO)(CBr)CBr	C3296900
MACCS_156	ClCCOCCCl	C111444
MACCS_156	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_156	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_156	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_156	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_156	O=C1CCCO1	C96480
MACCS_156	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_156	Oc1c(cccc1)O	C120809
MACCS_156	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_156	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_156	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_156	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_156	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_156	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_156	Nc1cc(ccc1OC)C	C120718
MACCS_156	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_156	OC(=O)C(Cl)Cl	C79436
MACCS_156	Clc1c(ccc(c1)Cl)O	C120832
MACCS_156	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_156	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_156	OCCOCCO	C111466
MACCS_156	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_156	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_156	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_156	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_156	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_156	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_156	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_156	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_156	C(CO)O	C107211
MACCS_156	O1C2C1CCC(C2)C1CO1	C106876
MACCS_156	CCC(CCCC)CO	C104767
MACCS_156	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_156	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_156	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_156	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_156	OCC(O)CO	C56815
MACCS_156	OCC1CO1	C556525
MACCS_156	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_156	Oc1ccc(cc1)O	C123319
MACCS_156	Oc1cccc2cccnc12	C148243
MACCS_156	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_156	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_156	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_156	CS(=O)(=O)OC	C66273
MACCS_156	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_156	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_156	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_156	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_156	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_156	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_156	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_156	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_156	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_156	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_156	Oc1ccccc1	C108952
MACCS_156	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_156	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_156	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_156	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_156	O=S1(=O)CCCO1	C1120714
MACCS_156	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_156	CC(CO)O	C57556
MACCS_156	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_156	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_156	Oc1cc(ccc1)O	C108463
MACCS_156	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_156	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_156	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_156	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_156	OC(=O)C=CC=CC	C110441
MACCS_156	C1C(c2ccccc2)O1	C96093
MACCS_156	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_156	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_156	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_156	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_156	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_156	OCCN(CCO)CCO	C102716
MACCS_156	OCCOCCOCCO	C112276
MACCS_156	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_156	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_156	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_156	NC(=O)OCC	C51796
MACCS_156	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_156	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_156	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_156	OC(=O)CCC	C107926
MACCS_156	CCCCOCCOCCO	C112345
MACCS_156	Oc1ccccc1Cl	C95578
MACCS_156	CCCCCCCCCC(=O)O	C334485
MACCS_156	CC(Cl)(Cl)C(=O)O	C75990
MACCS_156	O=C(O)CCCCCC	C111148
MACCS_156	OC(=O)CCCCC(=O)O	C124049
MACCS_156	CCCCCC(=O)O	C142621
MACCS_156	CCCCCCCCC(=O)O	C112050
MACCS_156	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_156	CCCCCCCC(=O)O	C124072
MACCS_156	Oc1cc(C)c(Cl)cc1	C59507
MACCS_156	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_156	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_156	Oc1c(C)cccc1	C95487
MACCS_156	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_156	CCN(CCO)CC	C100378
MACCS_156	Oc1c(C)cc(C)cc1	C105679
MACCS_156	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_156	Oc1ccc(C)cc1	C106445
MACCS_156	ClCCO	C107073
MACCS_156	CC(=O)OCCOCC	C111159
MACCS_156	OCCNCCO	C111422
MACCS_156	CCCCCCCCO	C111875
MACCS_156	CCOCCOCCO	C111900
MACCS_156	CCCCCCCCCCO	C112301
MACCS_156	CCCCCCCCCCCCCO	C112709
MACCS_156	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_156	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_156	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_156	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_156	OCCN	C141435
MACCS_156	Oc1c(C)cc(C)cc1C	C527606
MACCS_156	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_156	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_156	Oc1c(C)c(C)ccc1C	C2416946
MACCS_156	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_156	c1(c(O)cccc1)C(CC)C	C89725
MACCS_156	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_156	Oc1ccc(C=CC)cc1OC	C97541
MACCS_156	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_156	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_156	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_156	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_156	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_156	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_156	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_156	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_156	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_156	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_156	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_156	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_156	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_156	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_156	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_156	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_156	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_156	C(=O)(O)C(CCC)CCC	C99661
MACCS_156	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_156	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_156	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_156	Nc1c(OC)cccc1	C90040
MACCS_156	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_156	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_156	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_156	O=S(=O)(OCC)OCC	C64675
MACCS_156	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_156	O=S(=O)(OC)OC	C77781
MACCS_156	Oc1cc(C)c(C)cc1	C95658
MACCS_156	Oc1c(cccc1C)C	C576261
MACCS_156	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_156	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_156	CCOCCO	C110805
MACCS_156	CCCCOCCO	C111762
MACCS_156	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_156	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_156	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_156	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_156	OCCOCCOCCOCC	C112505
MACCS_156	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_156	O=C(O)c1ccc(N)cc1	C150130
MACCS_156	Oc1c(ccc(N)c1)C	C2835952
MACCS_156	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_156	O(CCOC)CCOC	C111966
MACCS_156	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_156	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_156	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_156	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_156	O(O)C(c1ccccc1)(C)C	C80159
MACCS_156	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_156	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_156	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_156	OC(CCl)CCl	C96231
MACCS_156	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_156	O(CCOC)CCO	C111773
MACCS_156	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_156	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_156	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_156	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_156	COC(=O)CCCC(=O)OC	C1119400
MACCS_156	Oc1c(ccc(C)c1)C	C95874
MACCS_156	C(=O)(OC)CCC(=O)OC	C106650
MACCS_156	O=C(O)C(CCCC)CC	C149575
MACCS_156	C(CC(C)C)OC(=O)C	C123922
MACCS_156	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_156	o1c(C)c(O)c(=O)cc1	C118718
MACCS_156	O=C(OC)c1c(N)cccc1	C134203
MACCS_156	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_156	O=C(OC)c1c(O)cccc1	C119368
MACCS_156	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_156	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_156	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_156	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_156	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_156	C(OCCOC)COCCOC	C112492
MACCS_156	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_156	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_156	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_156	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_156	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_156	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_156	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_156	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_156	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_156	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_156	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_156	OCCC(C)CCC=C(C)C	C106229
MACCS_156	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_156	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_156	OCCC(O)C	C107880
MACCS_156	OC(CC(C)C)C	C108112
MACCS_156	O=C(OC)CCCCCCC	C111115
MACCS_156	O=C(OC)CCCCCCCCCCC	C111820
MACCS_156	OCCOCCCCCC	C112254
MACCS_156	OCCCCCCCCCCC	C112425
MACCS_156	OCCCCCCCCCCCC	C112538
MACCS_156	OCCCCCCCCCCCCCC	C112721
MACCS_156	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_156	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_156	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_156	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_156	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_156	O=C(C)OCCCCC	C628637
MACCS_156	OCCCCCCCCCCCCCCC	C629765
MACCS_156	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_156	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_156	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_156	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_156	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_156	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_156	O=C(O)C(O)CC(=O)O	C6915157
MACCS_156	OC(OC(O)CC)CC	C25265718
MACCS_156	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_156	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_156	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_156	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_156	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_156	OC(OCCCOC)CC	C34590948
MACCS_156	OCCCCCCCCCCCCCCCC	C36653824
MACCS_156	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_156	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_156	O=C(OC)CC(=O)OC	C108598
MACCS_156	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_156	CCC12N(COC1)COC2	C7747355
MACCS_156	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_156	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_156	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_156	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_156	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_156	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_156	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_156	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_156	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_156	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_156	S=P(OCC)(OCC)SCSCC	C298022
MACCS_156	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_156	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_156	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_156	O=C1CCC(O1)CCCCCCC	C104676
MACCS_156	Oc1cc(C)ccc1C(C)C	C89838
MACCS_156	O=C(O)CCCCCCCCC=C	C112389
MACCS_156	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_156	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_156	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_156	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_156	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_156	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_156	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_156	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_156	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_156	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_156	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_156	O=C(OCC)CCC(=O)OCC	C123251
MACCS_156	O=C(CCC)OCC	C105544
MACCS_156	O=C(OCC)CCCCCC	C106309
MACCS_156	O=C(OCCCC)c1ccccc1	C136607
MACCS_156	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_156	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_156	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_156	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_156	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_156	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_156	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_156	O=C(CCC)OCCC(C)C	C106274
MACCS_156	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_156	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_156	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_156	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_156	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_156	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_156	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_156	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_156	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_156	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_156	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_156	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_156	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_156	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_156	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_156	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_156	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_156	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_156	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_156	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_156	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_156	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_156	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_156	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_156	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_156	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_156	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_156	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_156	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_156	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_156	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_156	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_156	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_156	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_156	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_156	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_156	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_156	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_156	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_156	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_156	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_156	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_156	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_156	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_156	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_156	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_156	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_156	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_156	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_156	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_156	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_156	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_156	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_156	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_156	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_156	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_156	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_156	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_156	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_156	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_156	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_156	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_156	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_156	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_156	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_156	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_156	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_156	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_156	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_156	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_156	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_156	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_156	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_156	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_156	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_156	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_156	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_156	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_156	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_156	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_156	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_156	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_156	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_156	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_156	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_156	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_156	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_156	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_156	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_156	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_156	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_156	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_156	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_156	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_156	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_156	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_156	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_156	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_156	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_156	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_156	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_156	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_156	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_156	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_156	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_156	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_156	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_156	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_156	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_156	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_156	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_156	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_156	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_156	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_156	OC(C(CC)CCCC)C#C	C5877429
MACCS_156	OCCCBr	C627189
MACCS_156	C(=O)(C)O	C64197
MACCS_156	C(CO)C(C)C	C123513
MACCS_156	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_156	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_156	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_156	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_156	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_156	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_156	NCCOCCOCCN	C929599
MACCS_156	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_156	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_156	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_156	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_156	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_156	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_156	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_156	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_156	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_156	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_156	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_156	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_156	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_156	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_156	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_156	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_156	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_156	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_156	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_156	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_156	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_156	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_156	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_156	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_156	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_156	OCCC(OC)C	C2517433
MACCS_156	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_156	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_156	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_156	O=COCC	C109944
MACCS_156	O=C(OCC)c1ccccc1	C93890
MACCS_156	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_156	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_156	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_156	CC(=O)OCC	C141786
MACCS_156	CC(=O)OCCCC	C123864
MACCS_156	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_156	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_156	CCC1CO1	C106887
MACCS_156	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_156	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_156	CC1CC(=O)O1	C3068880
MACCS_156	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_156	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_156	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_156	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_156	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_156	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_156	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_156	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_156	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_156	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_156	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_156	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_156	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_156	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_156	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_156	CC(c1ccc(CO)cc1)C	C536607
MACCS_156	CC(=O)C(=O)O	C127173
MACCS_156	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_156	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_156	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_156	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_156	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_156	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_156	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_156	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_156	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_156	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_156	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_156	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_156	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_156	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_156	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_156	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_156	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_156	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_156	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_156	Nc1ccc(OC)cc1	C104949
MACCS_156	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_156	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_156	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_156	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_156	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_156	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_156	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_156	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_156	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_156	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_156	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_156	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_156	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_156	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_156	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_156	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_156	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_156	OCC=C(C)C	C556821
MACCS_156	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_156	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_156	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_156	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_156	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_156	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_156	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_156	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_156	OCc1c[nH]c2c1cccc2	C700061
MACCS_156	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_156	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_156	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_156	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_156	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_156	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_156	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_156	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_156	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_156	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_156	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_156	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_156	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_156	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_156	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_156	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_156	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_156	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_156	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_156	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_156	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_156	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_156	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_156	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_156	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_156	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_156	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_156	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_156	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_156	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_156	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_156	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_156	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_156	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_156	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_156	O=P(OCCCC)(O)OCCCC	C107664
MACCS_156	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_156	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_156	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_156	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_156	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_156	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_156	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_156	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_156	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_156	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_156	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_156	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_156	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_156	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_156	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_156	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_156	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_156	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_156	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_156	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_156	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_156	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_156	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_156	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_156	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_156	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_156	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_156	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_156	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_156	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_156	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_156	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_156	O=C(O)CCSCCC(=O)O	C111171
MACCS_156	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_156	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_156	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_156	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_156	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_156	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_156	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_156	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_156	O=C(OC)CCCC(=O)O	C1501275
MACCS_156	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_156	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_156	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_156	O=C(OCCCCO)C=C	C2478106
MACCS_156	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_156	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_156	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_156	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_156	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_156	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_156	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_156	NCCCOCCCCCCCC	C15930662
MACCS_156	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_156	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_156	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_156	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_156	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_156	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_156	CC1COc2ccccc2N1	C32329207
MACCS_156	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_156	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_156	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_156	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_156	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_156	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_156	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_156	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_156	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_156	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_156	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_156	COC(OC)C(C)c1ccccc1	C90879
MACCS_156	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_156	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_156	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_156	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_156	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_156	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_156	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_156	CC/C=C\CCOC(OCC)C	C28069741
MACCS_156	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_156	NNC(=O)OCc1ccccc1	C5331431
MACCS_156	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_156	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_156	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_156	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_156	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_156	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_156	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_156	O=COCc1ccc(OC)cc1	C122918
MACCS_156	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_156	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_157	CC(=O)N	C60355
MACCS_157	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_157	C=CCN=C=S	C57067
MACCS_157	c1(nc[nH]n1)N	C61825
MACCS_157	Nc1ccccc1.Cl	C142041
MACCS_157	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_157	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_157	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_157	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_157	CC(CNCC(C)O)O	C110974
MACCS_157	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_157	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_157	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_157	Clc1c(ccc(c1)N)C	C95749
MACCS_157	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_157	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_157	NC(=N)NC#N	C461585
MACCS_157	S=C(NCC)NCC	C105555
MACCS_157	CN(C)C(=O)C	C127195
MACCS_157	CN(CCO)C	C108010
MACCS_157	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_157	CN(C)N	C57147
MACCS_157	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_157	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_157	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_157	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_157	NC(=O)OC	C598550
MACCS_157	NC(=O)c1cccnc1	C98920
MACCS_157	O=[N+](CC)[O-]	C79243
MACCS_157	CN(C(=O)N)N=O	C684935
MACCS_157	CN(N=O)C	C62759
MACCS_157	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_157	O=NN1CCCC1	C930552
MACCS_157	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_157	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_157	Nc1ccc(cc1)N	C106503
MACCS_157	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_157	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_157	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_157	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_157	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_157	NC(=S)N	C62566
MACCS_157	Nc1ccccc1C.Cl	C636215
MACCS_157	c1(O)ccccc1C(=O)N	C65452
MACCS_157	OC(C)CN	C78966
MACCS_157	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_157	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_157	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_157	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_157	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_157	OCCN1CCNCC1	C103764
MACCS_157	Nc1ccc(CCCC)cc1	C104132
MACCS_157	CCNCCO	C110736
MACCS_157	CCCCCCCCCCCCN	C124221
MACCS_157	NCCN1CCNCC1	C140318
MACCS_157	CCCCCCCCCCN	C2016571
MACCS_157	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_157	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_157	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_157	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_157	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_157	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_157	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_157	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_157	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_157	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_157	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_157	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_157	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_157	NC(CO)(CO)CO	C77861
MACCS_157	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_157	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_157	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_157	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_157	CNC	C124403
MACCS_157	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_157	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_157	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_157	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_157	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_157	O=C(N)N=NC(=O)N	C123773
MACCS_157	C(C)(C)(C)N	C75649
MACCS_157	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_157	C(CCN)CCCN	C124094
MACCS_157	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_157	N(CCN)CCN	C111400
MACCS_157	N(C)(C)c1cccc(O)c1	C99070
MACCS_157	N(CCCN)(C)C	C109557
MACCS_157	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_157	OCNC(=O)NCO	C140954
MACCS_157	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_157	O=C(OCC)c1c(N)cccc1	C87252
MACCS_157	C1COCCN1	C110918
MACCS_157	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_157	O(c1ccc(N)cc1)CC	C156434
MACCS_157	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_157	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_157	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_157	N(C)(C)C	C75503
MACCS_157	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_157	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_157	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_157	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_157	N1CCCCCC1	C111499
MACCS_157	CCCCCCCCCCCCN(C)C	C112185
MACCS_157	OCC(N)(C)C	C124685
MACCS_157	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_157	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_157	O=C1NCCC1	C616455
MACCS_157	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_157	O=C(N)[O-].[NH4+]	C1111780
MACCS_157	O=C(N(C)C)CCCCCCC	C1118929
MACCS_157	Nc1cccc(C)c1C	C1300738
MACCS_157	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_157	O=C(N(C)C)CC(=O)C	C2044646
MACCS_157	NNC(=S)NN	C2231574
MACCS_157	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_157	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_157	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_157	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_157	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_157	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_157	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_157	Nc1c(C)cccc1CC	C24549062
MACCS_157	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_157	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_157	CN1CCOCC1	C109024
MACCS_157	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_157	[S-]C(=S)NC.[Na+]	C137428
MACCS_157	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_157	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_157	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_157	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_157	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_157	O=C1NC2NC(=O)NC2N1	C496468
MACCS_157	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_157	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_157	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_157	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_157	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_157	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_157	OCn1nc(C)cc1C	C85264331
MACCS_157	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_157	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_157	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_157	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_157	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_157	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_157	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_157	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_157	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_157	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_157	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_157	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_157	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_157	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_157	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_157	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_157	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_157	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_157	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_157	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_157	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_157	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_157	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_157	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_157	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_157	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_157	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_157	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_157	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_157	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_157	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_157	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_157	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_157	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_157	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_157	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_157	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_157	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_157	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_157	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_157	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_157	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_157	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_157	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_157	Nc1ccc(CCCCC)cc1	C33228443
MACCS_157	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_157	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_157	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_157	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_157	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_157	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_157	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_157	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_157	Oc1ccccc1CN(C)C	C120650
MACCS_157	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_157	O=C(Nc1ccccc1)CCl	C587655
MACCS_157	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_157	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_157	NCCCN1CCOCC1	C123002
MACCS_157	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_157	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_157	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_157	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_157	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_157	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_157	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_157	OCCN(CC)CCO	C139877
MACCS_157	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_157	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_157	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_157	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_157	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_157	S=C(NC)NC	C534134
MACCS_157	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_157	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_157	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_157	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_157	O=C(N)Nc1ccccc1	C64108
MACCS_157	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_157	NNC(=S)NC	C6610293
MACCS_157	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_157	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_157	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_157	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_157	NCCN.I.I	C5700492
MACCS_157	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_157	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_157	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_157	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_157	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_157	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_157	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_157	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_157	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_157	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_157	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_157	Nc1ccc(CCC)cc1	C2696846
MACCS_157	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_157	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_157	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_157	Nc1ccc(cc1)OCCCC	C4344552
MACCS_157	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_157	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_157	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_157	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_157	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_157	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_157	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_157	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_157	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_157	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_157	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_157	S=C1NCCN1	C96457
MACCS_157	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_157	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_157	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_157	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_157	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_157	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_157	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_157	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_157	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_157	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_157	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_157	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_157	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_157	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_157	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_157	c1ccccc1Nc1ccccc1	C122394
MACCS_157	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_157	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_157	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_157	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_157	CSC(=NOC(=O)NC)C	C16752775
MACCS_157	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_157	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_157	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_157	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_157	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_157	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_157	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_157	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_157	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_157	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_157	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_157	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_157	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_157	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_157	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_157	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_157	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_157	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_157	CCCN(CCC)C(=O)SCC	C759944
MACCS_157	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_157	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_157	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_157	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_157	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_157	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_157	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_157	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_157	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_157	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_157	O=C(SCC)N1CCCCCC1	C2212671
MACCS_157	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_157	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_157	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_157	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_157	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_157	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_157	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_157	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_157	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_157	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_157	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_157	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_157	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_157	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_157	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_157	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_157	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_157	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_157	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_157	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_157	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_157	CN1CN(C)CSC1=S	C533744
MACCS_157	S=C=NC	C556616
MACCS_157	O=C(NCCCC)OCC#CI	C55406536
MACCS_157	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_157	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_157	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_157	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_157	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_157	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_157	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_157	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_157	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_157	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_157	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_157	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_157	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_157	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_157	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_157	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_157	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_157	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_157	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_157	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_157	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_157	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_157	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_157	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_157	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_157	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_157	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_157	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_157	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_157	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_157	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_157	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_157	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_157	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_157	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_157	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_157	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_157	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_157	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_157	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_157	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_157	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_157	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_157	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_157	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_157	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_157	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_157	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_157	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_157	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_157	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_157	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_157	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_157	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_157	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_157	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_157	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_157	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_157	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_157	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_157	N#CN	C420042
MACCS_157	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_157	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_157	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_157	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_157	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_157	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_157	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_157	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_157	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_157	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_157	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_157	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_157	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_157	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_157	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_157	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_157	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_157	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_157	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_157	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_157	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_157	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_157	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_157	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_157	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_157	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_157	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_157	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_157	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_157	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_157	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_157	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_157	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_157	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_157	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_157	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_157	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_157	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_157	NC(=O)C=C	C79061
MACCS_157	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_157	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_157	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_157	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_157	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_157	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_157	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_157	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_157	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_157	O=C1CCCCCN1	C105602
MACCS_157	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_157	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_157	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_157	Nc1c(ccc(c1)Cl)N	C95830
MACCS_157	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_157	Nc1ccc(cc1)Cl	C106478
MACCS_157	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_157	Nc1cc(ccc1OC)C	C120718
MACCS_157	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_157	Nc1c(ccc(c1)N)C	C95807
MACCS_157	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_157	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_157	CN(c1ccccc1)C	C121697
MACCS_157	O=C(N(C)C)Cl	C79447
MACCS_157	CN(C=O)C	C68122
MACCS_157	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_157	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_157	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_157	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_157	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_157	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_157	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_157	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_157	C1N2CN3CN(C2)CN1C3	C100970
MACCS_157	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_157	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_157	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_157	O=C(c1ccncc1)NN	C54853
MACCS_157	[nH]1c(=S)n(cc1)C	C60560
MACCS_157	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_157	O=C1N(CCC1)C	C872504
MACCS_157	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_157	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_157	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_157	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_157	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_157	Nc1cc2c(cccc2)cc1	C91598
MACCS_157	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_157	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_157	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_157	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_157	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_157	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_157	O=[N+](c1ccccc1)[O-]	C98953
MACCS_157	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_157	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_157	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_157	O=NN(CCCC)CCCC	C924163
MACCS_157	CCN(CC)N=O	C55185
MACCS_157	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_157	O=NN(CCC)CCC	C621647
MACCS_157	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_157	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_157	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_157	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_157	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_157	Nc1cc(ccc1)N	C108452
MACCS_157	C1CNCCN1	C110850
MACCS_157	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_157	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_157	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_157	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_157	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_157	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_157	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_157	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_157	OCCN(CCO)CCO	C102716
MACCS_157	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_157	C(=O)(N)N	C57136
MACCS_157	NC(=O)OCC	C51796
MACCS_157	O=C1N(C=C)CCC1	C88120
MACCS_157	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_157	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_157	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_157	CC1(C)NC(=O)NC1=O	C77714
MACCS_157	CCN(CC)c1ccccc1	C91667
MACCS_157	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_157	CN(C)c1ccc(C)cc1	C99978
MACCS_157	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_157	CCN(CCO)CC	C100378
MACCS_157	CCNc1cc(C)ccc1	C102272
MACCS_157	Nc1ccc(C)cc1	C106490
MACCS_157	OCCNCCO	C111422
MACCS_157	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_157	OCCN	C141435
MACCS_157	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_157	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_157	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_157	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_157	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_157	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_157	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_157	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_157	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_157	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_157	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_157	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_157	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_157	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_157	O=N(=O)c1ccc(C)cc1	C99990
MACCS_157	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_157	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_157	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_157	Nc1c(OC)cccc1	C90040
MACCS_157	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_157	NC1CCCCC1	C108918
MACCS_157	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_157	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_157	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_157	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_157	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_157	O=C=NCCCCCCN=C=O	C822060
MACCS_157	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_157	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_157	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_157	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_157	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_157	O=C(O)c1ccc(N)cc1	C150130
MACCS_157	Oc1c(ccc(N)c1)C	C2835952
MACCS_157	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_157	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_157	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_157	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_157	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_157	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_157	Nc1cc(C)ccc1N	C496720
MACCS_157	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_157	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_157	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_157	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_157	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_157	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_157	N(c1ccccc1)CC	C103695
MACCS_157	C(=O)(N)NO	C127071
MACCS_157	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_157	O=C(OC)c1c(N)cccc1	C134203
MACCS_157	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_157	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_157	O=c1ccsn1CCCCCCCC	C26530201
MACCS_157	Nc1c(N)cccc1	C95545
MACCS_157	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_157	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_157	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_157	Nc1c(cccc1)C	C95534
MACCS_157	N(CCCC)(CCCC)CCCC	C102829
MACCS_157	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_157	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_157	Nc1c(cccc1C)C	C87627
MACCS_157	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_157	Nc1cccc(C)c1	C108441
MACCS_157	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_157	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_157	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_157	Nc1c(CC)cccc1CC	C579668
MACCS_157	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_157	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_157	Nc1cccc(C)c1N	C2687254
MACCS_157	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_157	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_157	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_157	CCC12N(COC1)COC2	C7747355
MACCS_157	O=C(N)C(=C)C	C79390
MACCS_157	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_157	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_157	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_157	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_157	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_157	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_157	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_157	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_157	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_157	O=c1n(C)sc(Cl)c1	C26172554
MACCS_157	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_157	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_157	CCCCCCCCN(C)C	C7378996
MACCS_157	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_157	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_157	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_157	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_157	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_157	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_157	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_157	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_157	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_157	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_157	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_157	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_157	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_157	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_157	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_157	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_157	O=C(C)NC	C79163
MACCS_157	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_157	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_157	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_157	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_157	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_157	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_157	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_157	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_157	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_157	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_157	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_157	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_157	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_157	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_157	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_157	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_157	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_157	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_157	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_157	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_157	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_157	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_157	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_157	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_157	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_157	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_157	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_157	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_157	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_157	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_157	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_157	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_157	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_157	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_157	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_157	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_157	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_157	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_157	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_157	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_157	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_157	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_157	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_157	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_157	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_157	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_157	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_157	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_157	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_157	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_157	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_157	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_157	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_157	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_157	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_157	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_157	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_157	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_157	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_157	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_157	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_157	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_157	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_157	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_157	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_157	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_157	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_157	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_157	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_157	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_157	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_157	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_157	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_157	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_157	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_157	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_157	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_157	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_157	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_157	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_157	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_157	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_157	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_157	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_157	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_157	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_157	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_157	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_157	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_157	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_157	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_157	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_157	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_157	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_157	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_157	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_157	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_157	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_157	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_157	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_157	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_157	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_157	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_157	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_157	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_157	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_157	C(=O)N	C75127
MACCS_157	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_157	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_157	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_157	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_157	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_157	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_157	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_157	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_157	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_157	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_157	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_157	NCCOCCOCCN	C929599
MACCS_157	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_157	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_157	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_157	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_157	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_157	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_157	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_157	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_157	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_157	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_157	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_157	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_157	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_157	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_157	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_157	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_157	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_157	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_157	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_157	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_157	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_157	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_157	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_157	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_157	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_157	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_157	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_157	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_157	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_157	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_157	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_157	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_157	S=C(NCCCC)NCCCC	C109466
MACCS_157	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_157	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_157	NCc1cccc(CN)c1	C1477550
MACCS_157	N(CCN(C)C)(C)C	C110189
MACCS_157	CCN(CC)CC	C121448
MACCS_157	NCCN	C107153
MACCS_157	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_157	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_157	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_157	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_157	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_157	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_157	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_157	Clc1ccc(N)cc1.Cl	C20265967
MACCS_157	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_157	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_157	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_157	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_157	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_157	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_157	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_157	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_157	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_157	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_157	NNc1ccccc1.Cl	C59881
MACCS_157	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_157	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_157	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_157	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_157	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_157	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_157	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_157	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_157	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_157	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_157	CN(C)c1ccc(C=O)cc1	C100107
MACCS_157	Nc1ccc(Br)cc1	C106401
MACCS_157	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_157	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_157	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_157	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_157	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_157	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_157	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_157	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_157	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_157	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_157	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_157	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_157	Nc1ccc(OC)cc1	C104949
MACCS_157	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_157	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_157	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_157	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_157	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_157	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_157	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_157	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_157	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_157	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_157	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_157	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_157	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_157	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_157	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_157	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_157	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_157	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_157	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_157	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_157	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_157	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_157	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_157	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_157	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_157	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_157	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_157	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_157	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_157	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_157	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_157	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_157	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_157	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_157	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_157	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_157	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_157	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_157	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_157	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_157	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_157	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_157	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_157	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_157	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_157	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_157	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_157	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_157	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_157	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_157	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_157	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_157	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_157	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_157	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_157	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_157	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_157	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_157	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_157	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_157	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_157	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_157	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_157	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_157	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_157	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_157	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_157	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_157	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_157	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_157	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_157	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_157	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_157	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_157	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_157	O=CN1CCCCC1	C2591868
MACCS_157	CCCCCCCCCCCCN.Cl	C929737
MACCS_157	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_157	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_157	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_157	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_157	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_157	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_157	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_157	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_157	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_157	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_157	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_157	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_157	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_157	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_157	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_157	NCCCOCCCCCCCC	C15930662
MACCS_157	Nc1cccc(C)n1	C1824813
MACCS_157	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_157	CC1COc2ccccc2N1	C32329207
MACCS_157	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_157	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_157	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_157	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_157	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_157	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_157	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_157	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_157	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_157	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_157	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_157	S=C=NCCCSC	C505793
MACCS_157	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_157	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_157	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_157	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_157	NNC(=O)OCc1ccccc1	C5331431
MACCS_157	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_157	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_157	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_157	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_158	CC(=O)N	C60355
MACCS_158	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_158	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_158	C=CCO	C107186
MACCS_158	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_158	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_158	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_158	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_158	CC(=O)OCc1ccccc1	C140114
MACCS_158	CC(CNCC(C)O)O	C110974
MACCS_158	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_158	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_158	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_158	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_158	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_158	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_158	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_158	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_158	O=CCCl	C107200
MACCS_158	ClCOC	C107302
MACCS_158	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_158	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_158	O=C1CCCCC1	C108941
MACCS_158	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_158	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_158	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_158	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_158	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_158	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_158	CN(C)C(=O)C	C127195
MACCS_158	CN(CCO)C	C108010
MACCS_158	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_158	C=CCc1ccc(cc1)OC	C140670
MACCS_158	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_158	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_158	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_158	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_158	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_158	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_158	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_158	OC(CO)CCl	C96242
MACCS_158	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_158	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_158	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_158	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_158	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_158	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_158	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_158	COc1ccc(cc1)O	C150765
MACCS_158	NC(=O)OC	C598550
MACCS_158	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_158	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_158	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_158	NC(=O)c1cccnc1	C98920
MACCS_158	OC(=O)c1cccnc1	C59676
MACCS_158	O=[N+](CC)[O-]	C79243
MACCS_158	CN(C(=O)N)N=O	C684935
MACCS_158	CN(N=O)C	C62759
MACCS_158	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_158	O=NN1CCCC1	C930552
MACCS_158	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_158	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_158	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_158	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_158	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_158	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_158	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_158	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_158	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_158	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_158	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_158	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_158	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_158	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_158	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_158	O=P(OC)(OC)OC	C512561
MACCS_158	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_158	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_158	O=CCc1ccccc1	C122781
MACCS_158	O=C(O)/C=C\C(=O)O	C110167
MACCS_158	OC(=O)/C=C/C(=O)O	C110178
MACCS_158	OCCOCCOCCOCCCC	C143226
MACCS_158	CCCCCCCCCC=O	C112312
MACCS_158	CCCCCCCCCCCC(=O)O	C143077
MACCS_158	O=CCCCCCC	C111717
MACCS_158	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_158	CCCCCCCCC=O	C124196
MACCS_158	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_158	OC(=O)CCCC	C109524
MACCS_158	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_158	c1(O)ccccc1C(=O)N	C65452
MACCS_158	CS(=O)C	C67685
MACCS_158	OCCC	C71238
MACCS_158	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_158	OC(C)CN	C78966
MACCS_158	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_158	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_158	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_158	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_158	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_158	O=Cc1ccccc1O	C90028
MACCS_158	Oc1cccc2ccccc12	C90153
MACCS_158	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_158	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_158	ON=C1CCCCC1	C100641
MACCS_158	c1ccccc1Oc1ccccc1	C101848
MACCS_158	OCCN1CCNCC1	C103764
MACCS_158	CCOC(=O)CC(=O)OCC	C105533
MACCS_158	Oc1ccc(Cl)cc1	C106489
MACCS_158	CC(O)CC(C)(C)O	C107415
MACCS_158	CCCC(=O)C	C107879
MACCS_158	C1CCCCC1O	C108930
MACCS_158	CCCCCC(=O)C	C110430
MACCS_158	C(O)C#CCO	C110656
MACCS_158	CCNCCO	C110736
MACCS_158	CCCCCCO	C111273
MACCS_158	CCCCCCCO	C111706
MACCS_158	CCCCCCCCCC(=O)C	C112129
MACCS_158	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_158	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_158	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_158	Oc1ccc(CC)cc1	C123079
MACCS_158	CCCCCC(=O)OCC	C123660
MACCS_158	CCCCCCCCCO	C143088
MACCS_158	COc1ccc(OC)cc1	C150787
MACCS_158	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_158	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_158	O=C(OC(C)(C)C)C	C540885
MACCS_158	Oc1ccc(CCC)cc1	C645567
MACCS_158	CCCCCCC1OC(=O)CC1	C706149
MACCS_158	C=CC(=O)OCCO	C818611
MACCS_158	CC/C=C\CCO	C928961
MACCS_158	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_158	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_158	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_158	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_158	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_158	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_158	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_158	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_158	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_158	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_158	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_158	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_158	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_158	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_158	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_158	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_158	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_158	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_158	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_158	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_158	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_158	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_158	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_158	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_158	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_158	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_158	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_158	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_158	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_158	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_158	c1(c(CC)cccc1)O	C90006
MACCS_158	c1c(O)cccc1CC	C620177
MACCS_158	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_158	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_158	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_158	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_158	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_158	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_158	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_158	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_158	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_158	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_158	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_158	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_158	c1cccc(OC)c1O	C90051
MACCS_158	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_158	C(=O)(O)C(C)O	C50215
MACCS_158	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_158	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_158	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_158	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_158	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_158	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_158	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_158	C(=O)(O)CCC(=O)O	C110156
MACCS_158	NC(CO)(CO)CO	C77861
MACCS_158	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_158	C[Si](=O)C	C9016006
MACCS_158	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_158	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_158	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_158	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_158	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_158	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_158	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_158	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_158	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_158	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_158	Cc1cc(O)ccc1	C108394
MACCS_158	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_158	OP(=O)(O)O	C7664382
MACCS_158	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_158	CC(O)COC	C107982
MACCS_158	[Na+].[O-]C(=O)CF	C62748
MACCS_158	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_158	O=C(N)N=NC(=O)N	C123773
MACCS_158	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_158	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_158	ON=CCCC	C110690
MACCS_158	OCCCCO	C110634
MACCS_158	O=C(OCCCC)C=C	C141322
MACCS_158	C(OCCCC)C1CO1	C2426086
MACCS_158	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_158	O=C/C=C/c1ccccc1	C14371109
MACCS_158	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_158	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_158	C(C(=O)C)C(C)(C)O	C123422
MACCS_158	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_158	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_158	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_158	Oc1cc(Cl)ccc1Cl	C583788
MACCS_158	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_158	O=C(CC(C)C)CC(C)C	C108838
MACCS_158	N(C)(C)c1cccc(O)c1	C99070
MACCS_158	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_158	OCNC(=O)NCO	C140954
MACCS_158	Cc1c(C)cccc1O	C526750
MACCS_158	Cc1cc(C)cc(O)c1	C108689
MACCS_158	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_158	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_158	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_158	O=C(OCC)c1c(N)cccc1	C87252
MACCS_158	C(CC)(C=O)CCCC	C123057
MACCS_158	OCC(C(O)CCC)CC	C94962
MACCS_158	CCC(=CCCC)C=O	C645625
MACCS_158	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_158	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_158	c1c(CO)occ1	C98000
MACCS_158	O=CCCCC=O	C111308
MACCS_158	C(=O)(O)CO	C79141
MACCS_158	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_158	C(C)(C)(O)C#N	C75865
MACCS_158	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_158	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_158	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_158	O(C(C)C)C(=O)C	C108214
MACCS_158	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_158	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_158	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_158	O=C(C)C=Cc1ccccc1	C122576
MACCS_158	C1COCCN1	C110918
MACCS_158	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_158	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_158	C(=O)(O)C(=O)O	C144627
MACCS_158	O(c1ccc(N)cc1)CC	C156434
MACCS_158	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_158	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_158	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_158	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_158	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_158	O=C(O)CS	C68111
MACCS_158	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_158	O=P(OCC)(OCC)OCC	C78400
MACCS_158	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_158	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_158	ClCCOP(OCCCl)OCCCl	C140089
MACCS_158	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_158	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_158	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_158	OCCc1ccccc1	C60128
MACCS_158	O=C(O)c1ccccc1O	C69727
MACCS_158	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_158	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_158	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_158	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_158	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_158	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_158	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_158	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_158	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_158	O=C(O)c1ccc(O)cc1	C99967
MACCS_158	O=C(C)OCC(CC)CCCC	C103093
MACCS_158	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_158	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_158	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_158	O=C1OCC(C)O1	C108327
MACCS_158	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_158	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_158	O=C(OC)CCCCCCCCC	C110429
MACCS_158	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_158	O=C(C)OCCOC(=O)C	C111557
MACCS_158	O=C(C)OCCOCCCC	C112072
MACCS_158	OCCOCCOCCOC	C112356
MACCS_158	OCCOCCOCCOCCO	C112607
MACCS_158	OCC(CO)(CO)CO	C115775
MACCS_158	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_158	O=Cc1ccc(OC)cc1	C123115
MACCS_158	OC(CCCCCC)C	C123966
MACCS_158	OCC(N)(C)C	C124685
MACCS_158	OCC(C)(C)CO	C126307
MACCS_158	Oc1ccc2ccccc2c1	C135193
MACCS_158	[O-]c1ccccc1.[Na+]	C139026
MACCS_158	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_158	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_158	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_158	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_158	O=C1NCCC1	C616455
MACCS_158	O=COC(C)C	C625558
MACCS_158	OC(C)COc1ccccc1	C770354
MACCS_158	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_158	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_158	O=C(N)[O-].[NH4+]	C1111780
MACCS_158	O=C(N(C)C)CCCCCCC	C1118929
MACCS_158	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_158	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_158	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_158	OCCOCCOCCOCCOCCCC	C1559348
MACCS_158	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_158	OC1CCCCCCCCCCC1	C1724396
MACCS_158	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_158	O=C(N(C)C)CC(=O)C	C2044646
MACCS_158	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_158	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_158	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_158	OCCOCCC	C2807309
MACCS_158	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_158	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_158	O=C(CCl)[O-].[Na+]	C3926623
MACCS_158	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_158	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_158	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_158	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_158	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_158	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_158	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_158	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_158	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_158	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_158	CC(CO)O	C25322694
MACCS_158	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_158	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_158	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_158	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_158	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_158	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_158	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_158	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_158	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_158	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_158	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_158	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_158	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_158	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_158	OC(CCCC(C)C)(C)CC	C78693
MACCS_158	OCC1OCCC1	C97994
MACCS_158	O=C(c1ccc(O)cc1)C	C99934
MACCS_158	CN1CCOCC1	C109024
MACCS_158	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_158	O=C1CCCC1	C120923
MACCS_158	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_158	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_158	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_158	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_158	O=C(C=C(C)C)C	C141797
MACCS_158	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_158	OC(C)COCCC	C1569013
MACCS_158	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_158	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_158	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_158	OCC(CCC)CCCCC	C10042598
MACCS_158	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_158	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_158	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_158	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_158	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_158	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_158	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_158	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_158	OC1CC(CCC1C(C)C)C	C1490046
MACCS_158	OCCC(C)CC(C)(C)C	C3452979
MACCS_158	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_158	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_158	OC(OCCCC)CC	C29387868
MACCS_158	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_158	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_158	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_158	O=C1NC2NC(=O)NC2N1	C496468
MACCS_158	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_158	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_158	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_158	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_158	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_158	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_158	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_158	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_158	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_158	OCn1nc(C)cc1C	C85264331
MACCS_158	OCCSCCCCCCCC	C3547339
MACCS_158	Clc1c(Cl)ssc1=O	C1192525
MACCS_158	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_158	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_158	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_158	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_158	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_158	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_158	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_158	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_158	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_158	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_158	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_158	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_158	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_158	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_158	OC1CCCC1	C96413
MACCS_158	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_158	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_158	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_158	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_158	O=S(=O)(N)O	C5329146
MACCS_158	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_158	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_158	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_158	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_158	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_158	O=C1OC(CCCCC)CC1	C104610
MACCS_158	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_158	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_158	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_158	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_158	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_158	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_158	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_158	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_158	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_158	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_158	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_158	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_158	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_158	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_158	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_158	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_158	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_158	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_158	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_158	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_158	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_158	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_158	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_158	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_158	OC(CCCCC)C=C	C3391864
MACCS_158	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_158	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_158	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_158	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_158	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_158	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_158	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_158	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_158	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_158	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_158	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_158	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_158	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_158	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_158	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_158	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_158	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_158	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_158	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_158	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_158	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_158	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_158	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_158	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_158	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_158	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_158	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_158	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_158	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_158	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_158	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_158	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_158	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_158	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_158	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_158	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_158	O=C(CC)OCC	C105373
MACCS_158	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_158	O=C(c1ccccc1O)C	C118934
MACCS_158	O=C1OCC(CC)O1	C4437858
MACCS_158	O=C(CBr)OCc1ccccc1	C5437456
MACCS_158	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_158	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_158	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_158	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_158	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_158	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_158	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_158	O=C(OCC)c1c(C)cccc1	C87241
MACCS_158	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_158	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_158	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_158	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_158	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_158	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_158	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_158	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_158	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_158	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_158	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_158	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_158	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_158	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_158	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_158	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_158	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_158	CC(O)COCC	C1569024
MACCS_158	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_158	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_158	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_158	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_158	Oc1ccccc1CN(C)C	C120650
MACCS_158	O=C1CCC(O1)CC	C695067
MACCS_158	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_158	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_158	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_158	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_158	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_158	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_158	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_158	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_158	O=C(Nc1ccccc1)CCl	C587655
MACCS_158	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_158	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_158	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_158	OC(CCCC(C)C)(C)C	C13254347
MACCS_158	O=C/C=C/CCC	C6728263
MACCS_158	O1C=CCCC1	C110872
MACCS_158	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_158	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_158	OC(CC(C)C)(C)C#C	C107540
MACCS_158	O=C(C)OCC/C=C\CC	C3681718
MACCS_158	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_158	OCC=Cc1ccccc1	C104541
MACCS_158	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_158	O=CCC/C=C\CCCCC	C21662099
MACCS_158	O=c1ccoc(CC)c1O	C4940118
MACCS_158	NCCCN1CCOCC1	C123002
MACCS_158	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_158	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_158	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_158	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_158	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_158	O=C(CCC)OCCCCC	C540181
MACCS_158	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_158	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_158	O=C(C)OC(C)c1ccccc1	C93925
MACCS_158	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_158	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_158	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_158	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_158	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_158	N#Cc1c(O)cccc1	C611201
MACCS_158	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_158	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_158	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_158	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_158	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_158	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_158	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_158	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_158	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_158	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_158	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_158	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_158	OC1CC(C)(C)CC(C)C1	C116029
MACCS_158	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_158	OP(OCC)OCC	C762049
MACCS_158	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_158	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_158	OCCOCC(CC)CCCC	C1559359
MACCS_158	O=C(CC)CCCCC	C106683
MACCS_158	OCCN(CC)CCO	C139877
MACCS_158	CCOC(OCC)OCC	C122510
MACCS_158	CCO[Si](OCC)(OCC)CC	C78079
MACCS_158	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_158	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_158	O=C(CF)O	C144490
MACCS_158	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_158	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_158	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_158	O=C(CCC)OCCCCCCC	C5870939
MACCS_158	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_158	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_158	Oc1cc(C(C)C)ccc1C	C499752
MACCS_158	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_158	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_158	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_158	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_158	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_158	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_158	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_158	OC(C)C(=O)OCCCC	C138227
MACCS_158	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_158	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_158	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_158	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_158	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_158	Oc1c(OCC)cccc1	C94713
MACCS_158	Oc1ccc(C(C)C)cc1	C99898
MACCS_158	COc1ccc(CCC)cc1	C104450
MACCS_158	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_158	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_158	CO[Si](C)(C)OC	C1112396
MACCS_158	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_158	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_158	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_158	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_158	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_158	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_158	OC(CO)c1ccccc1	C93561
MACCS_158	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_158	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_158	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_158	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_158	CCO[Si](OCC)(C)OCC	C2031676
MACCS_158	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_158	CO[Si](OC)(CCC)OC	C1067250
MACCS_158	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_158	O=C(N)Nc1ccccc1	C64108
MACCS_158	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_158	O=C(C)OCCCCCCCC	C112141
MACCS_158	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_158	Oc1c(C(C)C)cccc1	C88697
MACCS_158	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_158	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_158	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_158	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_158	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_158	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_158	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_158	Oc1cc(C(C)C)ccc1	C618451
MACCS_158	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_158	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_158	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_158	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_158	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_158	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_158	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_158	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_158	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_158	OCC(CCCC)CCCCCC	C3913028
MACCS_158	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_158	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_158	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_158	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_158	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_158	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_158	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_158	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_158	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_158	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_158	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_158	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_158	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_158	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_158	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_158	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_158	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_158	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_158	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_158	Oc1ccc(CCCC)cc1	C1638228
MACCS_158	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_158	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_158	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_158	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_158	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_158	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_158	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_158	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_158	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_158	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_158	OCCOCC(C)OCCO	C9003116
MACCS_158	O=C1OC(CCC)CC1	C105215
MACCS_158	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_158	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_158	C=O	C50000
MACCS_158	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_158	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_158	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_158	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_158	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_158	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_158	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_158	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_158	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_158	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_158	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_158	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_158	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_158	O=C1CCC(CCC)CC1	C40649363
MACCS_158	Nc1ccc(cc1)OCCCC	C4344552
MACCS_158	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_158	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_158	O=C(c1ccccc1)C(C)C	C611701
MACCS_158	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_158	OC1CCC(CCCC)CC1	C70568604
MACCS_158	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_158	O=C(OC)c1c(C)cccc1	C89714
MACCS_158	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_158	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_158	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_158	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_158	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_158	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_158	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_158	OB(O)O	C10043353
MACCS_158	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_158	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_158	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_158	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_158	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_158	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_158	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_158	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_158	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_158	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_158	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_158	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_158	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_158	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_158	C[As](=O)(C)O	C75605
MACCS_158	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_158	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_158	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_158	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_158	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_158	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_158	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_158	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_158	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_158	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_158	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_158	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_158	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_158	Oc1c(cccc1)c1ccccc1	C90437
MACCS_158	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_158	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_158	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_158	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_158	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_158	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_158	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_158	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_158	c1ccccc1OCCO	C122996
MACCS_158	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_158	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_158	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_158	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_158	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_158	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_158	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_158	CSC(=NOC(=O)NC)C	C16752775
MACCS_158	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_158	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_158	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_158	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_158	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_158	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_158	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_158	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_158	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_158	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_158	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_158	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_158	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_158	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_158	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_158	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_158	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_158	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_158	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_158	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_158	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_158	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_158	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_158	ClCCP(=O)(O)O	C16672870
MACCS_158	CCCN(CCC)C(=O)SCC	C759944
MACCS_158	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_158	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_158	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_158	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_158	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_158	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_158	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_158	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_158	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_158	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_158	NP(=O)(OC)SC	C10265926
MACCS_158	OCCOC	C109864
MACCS_158	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_158	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_158	O=C(SCC)N1CCCCCC1	C2212671
MACCS_158	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_158	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_158	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_158	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_158	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_158	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_158	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_158	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_158	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_158	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_158	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_158	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_158	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_158	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_158	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_158	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_158	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_158	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_158	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_158	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_158	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_158	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_158	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_158	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_158	O=C(NCCCC)OCC#CI	C55406536
MACCS_158	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_158	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_158	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_158	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_158	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_158	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_158	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_158	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_158	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_158	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_158	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_158	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_158	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_158	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_158	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_158	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_158	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_158	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_158	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_158	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_158	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_158	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_158	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_158	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_158	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_158	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_158	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_158	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_158	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_158	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_158	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_158	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_158	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_158	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_158	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_158	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_158	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_158	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_158	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_158	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_158	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_158	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_158	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_158	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_158	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_158	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_158	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_158	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_158	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_158	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_158	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_158	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_158	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_158	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_158	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_158	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_158	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_158	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_158	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_158	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_158	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_158	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_158	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_158	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_158	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_158	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_158	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_158	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_158	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_158	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_158	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_158	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_158	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_158	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_158	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_158	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_158	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_158	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_158	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_158	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_158	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_158	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_158	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_158	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_158	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_158	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_158	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_158	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_158	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_158	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_158	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_158	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_158	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_158	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_158	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_158	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_158	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_158	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_158	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_158	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_158	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_158	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_158	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_158	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_158	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_158	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_158	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_158	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_158	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_158	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_158	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_158	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_158	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_158	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_158	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_158	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_158	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_158	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_158	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_158	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_158	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_158	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_158	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_158	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_158	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_158	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_158	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_158	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_158	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_158	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_158	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_158	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_158	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_158	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_158	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_158	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_158	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_158	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_158	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_158	NC(=O)C=C	C79061
MACCS_158	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_158	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_158	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_158	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_158	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_158	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_158	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_158	c1coc2c1cccc2	C271896
MACCS_158	OC(=O)c1ccccc1	C65850
MACCS_158	OCc1ccccc1	C100516
MACCS_158	OCC(CO)(CBr)CBr	C3296900
MACCS_158	ClCCOCCCl	C111444
MACCS_158	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_158	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_158	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_158	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_158	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_158	O=C1CCCO1	C96480
MACCS_158	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_158	O=C1CCCCCN1	C105602
MACCS_158	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_158	Oc1c(cccc1)O	C120809
MACCS_158	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_158	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_158	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_158	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_158	O=C(c1ccccc1)CCl	C532274
MACCS_158	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_158	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_158	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_158	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_158	O=c1oc2c(cccc2)cc1	C91645
MACCS_158	Nc1cc(ccc1OC)C	C120718
MACCS_158	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_158	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_158	OC(=O)C(Cl)Cl	C79436
MACCS_158	Clc1c(ccc(c1)Cl)O	C120832
MACCS_158	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_158	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_158	OCCOCCO	C111466
MACCS_158	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_158	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_158	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_158	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_158	O=C(N(C)C)Cl	C79447
MACCS_158	CN(C=O)C	C68122
MACCS_158	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_158	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_158	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_158	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_158	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_158	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_158	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_158	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_158	C(CO)O	C107211
MACCS_158	O1C2C1CCC(C2)C1CO1	C106876
MACCS_158	CCC(CCCC)CO	C104767
MACCS_158	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_158	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_158	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_158	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_158	O=Cc1ccco1	C98011
MACCS_158	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_158	OCC(O)CO	C56815
MACCS_158	OCC1CO1	C556525
MACCS_158	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_158	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_158	Oc1ccc(cc1)O	C123319
MACCS_158	Oc1cccc2cccnc12	C148243
MACCS_158	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_158	O=C(c1ccncc1)NN	C54853
MACCS_158	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_158	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_158	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_158	CS(=O)(=O)OC	C66273
MACCS_158	O=C1N(CCC1)C	C872504
MACCS_158	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_158	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_158	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_158	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_158	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_158	O=N[O-].[Na+]	C7632000
MACCS_158	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_158	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_158	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_158	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_158	O=[N+](c1ccccc1)[O-]	C98953
MACCS_158	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_158	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_158	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_158	O=NN(CCCC)CCCC	C924163
MACCS_158	CCN(CC)N=O	C55185
MACCS_158	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_158	O=NN(CCC)CCC	C621647
MACCS_158	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_158	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_158	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_158	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_158	Oc1ccccc1	C108952
MACCS_158	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_158	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_158	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_158	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_158	O=S1(=O)CCCO1	C1120714
MACCS_158	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_158	CC(CO)O	C57556
MACCS_158	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_158	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_158	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_158	Oc1cc(ccc1)O	C108463
MACCS_158	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_158	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_158	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_158	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_158	OC(=O)C=CC=CC	C110441
MACCS_158	C1C(c2ccccc2)O1	C96093
MACCS_158	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_158	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_158	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_158	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_158	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_158	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_158	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_158	OCCN(CCO)CCO	C102716
MACCS_158	OCCOCCOCCO	C112276
MACCS_158	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_158	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_158	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_158	C(=O)(N)N	C57136
MACCS_158	NC(=O)OCC	C51796
MACCS_158	O=C1N(C=C)CCC1	C88120
MACCS_158	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_158	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_158	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_158	OC(=O)CCC	C107926
MACCS_158	CCCCOCCOCCO	C112345
MACCS_158	Oc1ccccc1Cl	C95578
MACCS_158	CCCCCCCCCC(=O)O	C334485
MACCS_158	CC(Cl)(Cl)C(=O)O	C75990
MACCS_158	O=C(O)CCCCCC	C111148
MACCS_158	OC(=O)CCCCC(=O)O	C124049
MACCS_158	CCCCCC(=O)O	C142621
MACCS_158	CCCCCCCCC(=O)O	C112050
MACCS_158	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_158	CCCCCCCC=O	C124130
MACCS_158	CCCCCCCC(=O)O	C124072
MACCS_158	CCCCC=O	C110623
MACCS_158	Oc1cc(C)c(Cl)cc1	C59507
MACCS_158	CC1(C)NC(=O)NC1=O	C77714
MACCS_158	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_158	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_158	Oc1c(C)cccc1	C95487
MACCS_158	CCC(=NO)C	C96297
MACCS_158	c1ccccc1C(=O)C	C98862
MACCS_158	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_158	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_158	CCN(CCO)CC	C100378
MACCS_158	Oc1c(C)cc(C)cc1	C105679
MACCS_158	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_158	Oc1ccc(C)cc1	C106445
MACCS_158	ClCCO	C107073
MACCS_158	CC(=O)OCCOCC	C111159
MACCS_158	OCCNCCO	C111422
MACCS_158	CCCCCCCCO	C111875
MACCS_158	CCOCCOCCO	C111900
MACCS_158	CCCCCCCCCCO	C112301
MACCS_158	CCCCCCCCCCCCCO	C112709
MACCS_158	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_158	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_158	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_158	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_158	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_158	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_158	c1cccc2c3ccccc3oc12	C132649
MACCS_158	OCCN	C141435
MACCS_158	Oc1c(C)cc(C)cc1C	C527606
MACCS_158	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_158	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_158	Oc1c(C)c(C)ccc1C	C2416946
MACCS_158	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_158	c1(c(O)cccc1)C(CC)C	C89725
MACCS_158	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_158	Oc1ccc(C=CC)cc1OC	C97541
MACCS_158	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_158	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_158	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_158	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_158	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_158	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_158	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_158	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_158	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_158	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_158	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_158	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_158	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_158	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_158	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_158	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_158	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_158	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_158	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_158	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_158	C(=O)(O)C(CCC)CCC	C99661
MACCS_158	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_158	O=N(=O)c1ccc(C)cc1	C99990
MACCS_158	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_158	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_158	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_158	Nc1c(OC)cccc1	C90040
MACCS_158	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_158	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_158	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_158	O=S(=O)(OCC)OCC	C64675
MACCS_158	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_158	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_158	O=S(=O)(OC)OC	C77781
MACCS_158	Oc1cc(C)c(C)cc1	C95658
MACCS_158	Oc1c(cccc1C)C	C576261
MACCS_158	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_158	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_158	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_158	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_158	CCOCCO	C110805
MACCS_158	CCCCOCCO	C111762
MACCS_158	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_158	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_158	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_158	O=C=NCCCCCCN=C=O	C822060
MACCS_158	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_158	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_158	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_158	OCCOCCOCCOCC	C112505
MACCS_158	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_158	ON=CC(C)(C)SC	C1646759
MACCS_158	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_158	O=C(O)c1ccc(N)cc1	C150130
MACCS_158	Oc1c(ccc(N)c1)C	C2835952
MACCS_158	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_158	O(CCOC)CCOC	C111966
MACCS_158	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_158	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_158	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_158	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_158	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_158	O(O)C(c1ccccc1)(C)C	C80159
MACCS_158	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_158	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_158	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_158	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_158	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_158	OC(CCl)CCl	C96231
MACCS_158	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_158	O(CCOC)CCO	C111773
MACCS_158	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_158	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_158	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_158	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_158	COC(=O)CCCC(=O)OC	C1119400
MACCS_158	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_158	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_158	Oc1c(ccc(C)c1)C	C95874
MACCS_158	C(=O)(OC)CCC(=O)OC	C106650
MACCS_158	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_158	O=C(O)C(CCCC)CC	C149575
MACCS_158	C(=O)(N)NO	C127071
MACCS_158	C(CC(C)C)OC(=O)C	C123922
MACCS_158	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_158	o1c(C)c(O)c(=O)cc1	C118718
MACCS_158	O=C(OC)c1c(N)cccc1	C134203
MACCS_158	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_158	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_158	O=C(OC)c1c(O)cccc1	C119368
MACCS_158	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_158	O=c1ccsn1CCCCCCCC	C26530201
MACCS_158	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_158	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_158	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_158	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_158	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_158	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_158	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_158	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_158	C(OCCOC)COCCOC	C112492
MACCS_158	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_158	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_158	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_158	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_158	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_158	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_158	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_158	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_158	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_158	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_158	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_158	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_158	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_158	OCCC(C)CCC=C(C)C	C106229
MACCS_158	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_158	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_158	OCCC(O)C	C107880
MACCS_158	OC(CC(C)C)C	C108112
MACCS_158	O=C(OC)CCCCCCC	C111115
MACCS_158	O=C(OC)CCCCCCCCCCC	C111820
MACCS_158	OCCOCCCCCC	C112254
MACCS_158	OCCCCCCCCCCC	C112425
MACCS_158	OCCCCCCCCCCCC	C112538
MACCS_158	OCCCCCCCCCCCCCC	C112721
MACCS_158	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_158	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_158	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_158	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_158	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_158	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_158	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_158	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_158	O=C(C)OCCCCC	C628637
MACCS_158	OCCCCCCCCCCCCCCC	C629765
MACCS_158	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_158	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_158	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_158	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_158	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_158	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_158	O=C(O)C(O)CC(=O)O	C6915157
MACCS_158	OC(OC(O)CC)CC	C25265718
MACCS_158	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_158	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_158	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_158	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_158	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_158	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_158	OC(OCCCOC)CC	C34590948
MACCS_158	OCCCCCCCCCCCCCCCC	C36653824
MACCS_158	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_158	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_158	O=C(OC)CC(=O)OC	C108598
MACCS_158	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_158	CCC12N(COC1)COC2	C7747355
MACCS_158	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_158	O=C(N)C(=C)C	C79390
MACCS_158	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_158	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_158	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_158	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_158	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_158	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_158	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_158	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_158	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_158	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_158	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_158	S=P(OCC)(OCC)SCSCC	C298022
MACCS_158	O=Cc1ccccc1C=O	C643798
MACCS_158	O=c1[nH]sc2c1cccc2	C2634335
MACCS_158	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_158	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_158	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_158	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_158	O=c1n(C)sc(Cl)c1	C26172554
MACCS_158	O=C1CCC(O1)CCCCCCC	C104676
MACCS_158	Oc1cc(C)ccc1C(C)C	C89838
MACCS_158	O=C(O)CCCCCCCCC=C	C112389
MACCS_158	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_158	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_158	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_158	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_158	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_158	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_158	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_158	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_158	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_158	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_158	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_158	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_158	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_158	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_158	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_158	O=C(OCC)CCC(=O)OCC	C123251
MACCS_158	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_158	O=C(CCC)OCC	C105544
MACCS_158	O=C(OCC)CCCCCC	C106309
MACCS_158	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_158	O=C(OCCCC)c1ccccc1	C136607
MACCS_158	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_158	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_158	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_158	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_158	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_158	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_158	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_158	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_158	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_158	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_158	O=C(CCC)OCCC(C)C	C106274
MACCS_158	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_158	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_158	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_158	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_158	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_158	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_158	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_158	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_158	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_158	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_158	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_158	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_158	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_158	O=C(C)NC	C79163
MACCS_158	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_158	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_158	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_158	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_158	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_158	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_158	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_158	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_158	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_158	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_158	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_158	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_158	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_158	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_158	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_158	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_158	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_158	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_158	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_158	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_158	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_158	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_158	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_158	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_158	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_158	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_158	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_158	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_158	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_158	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_158	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_158	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_158	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_158	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_158	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_158	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_158	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_158	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_158	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_158	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_158	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_158	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_158	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_158	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_158	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_158	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_158	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_158	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_158	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_158	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_158	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_158	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_158	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_158	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_158	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_158	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_158	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_158	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_158	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_158	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_158	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_158	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_158	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_158	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_158	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_158	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_158	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_158	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_158	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_158	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_158	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_158	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_158	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_158	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_158	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_158	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_158	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_158	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_158	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_158	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_158	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_158	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_158	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_158	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_158	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_158	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_158	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_158	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_158	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_158	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_158	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_158	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_158	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_158	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_158	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_158	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_158	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_158	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_158	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_158	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_158	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_158	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_158	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_158	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_158	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_158	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_158	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_158	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_158	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_158	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_158	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_158	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_158	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_158	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_158	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_158	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_158	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_158	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_158	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_158	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_158	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_158	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_158	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_158	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_158	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_158	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_158	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_158	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_158	C(=O)N	C75127
MACCS_158	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_158	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_158	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_158	OC(C(CC)CCCC)C#C	C5877429
MACCS_158	[Na+].[O-][Cl]=O	C7758192
MACCS_158	OCCCBr	C627189
MACCS_158	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_158	C(=O)(C)O	C64197
MACCS_158	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_158	C(CO)C(C)C	C123513
MACCS_158	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_158	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_158	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_158	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_158	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_158	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_158	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_158	NCCOCCOCCN	C929599
MACCS_158	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_158	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_158	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_158	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_158	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_158	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_158	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_158	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_158	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_158	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_158	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_158	O=[Si]=O	C7631869
MACCS_158	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_158	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_158	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_158	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_158	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_158	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_158	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_158	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_158	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_158	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_158	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_158	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_158	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_158	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_158	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_158	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_158	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_158	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_158	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_158	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_158	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_158	OCCC(OC)C	C2517433
MACCS_158	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_158	O=CCC(C)CCC=C(C)C	C106230
MACCS_158	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_158	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_158	O=COCC	C109944
MACCS_158	O=C(OCC)c1ccccc1	C93890
MACCS_158	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_158	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_158	O=CCCSC	C3268493
MACCS_158	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_158	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_158	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_158	CC(=O)OCC	C141786
MACCS_158	CC(=O)OCCCC	C123864
MACCS_158	CC(=O)CCC(C)C	C110123
MACCS_158	CC(=O)CC(C)C	C108101
MACCS_158	CC(C)C=O	C78842
MACCS_158	CCCCCC=O	C66251
MACCS_158	CCCC=O	C123728
MACCS_158	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_158	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_158	CCC1CO1	C106887
MACCS_158	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_158	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_158	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_158	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_158	CC1CC(=O)O1	C3068880
MACCS_158	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_158	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_158	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_158	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_158	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_158	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_158	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_158	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_158	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_158	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_158	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_158	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_158	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_158	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_158	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_158	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_158	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_158	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_158	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_158	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_158	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_158	O=C(CCl)CCl	C534076
MACCS_158	CC(c1ccc(CO)cc1)C	C536607
MACCS_158	CC(=O)C(=O)O	C127173
MACCS_158	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_158	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_158	CN(C)c1ccc(C=O)cc1	C100107
MACCS_158	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_158	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_158	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_158	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_158	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_158	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_158	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_158	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_158	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_158	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_158	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_158	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_158	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_158	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_158	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_158	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_158	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_158	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_158	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_158	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_158	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_158	Nc1ccc(OC)cc1	C104949
MACCS_158	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_158	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_158	O=CC=CC=CCCCCC	C25152845
MACCS_158	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_158	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_158	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_158	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_158	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_158	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_158	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_158	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_158	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_158	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_158	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_158	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_158	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_158	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_158	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_158	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_158	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_158	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_158	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_158	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_158	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_158	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_158	OCC=C(C)C	C556821
MACCS_158	ClC(=O)C(CC)CCCC	C760678
MACCS_158	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_158	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_158	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_158	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_158	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_158	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_158	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_158	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_158	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_158	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_158	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_158	OCc1c[nH]c2c1cccc2	C700061
MACCS_158	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_158	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_158	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_158	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_158	O=c1cc(C)o[nH]1	C10004441
MACCS_158	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_158	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_158	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_158	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_158	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_158	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_158	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_158	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_158	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_158	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_158	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_158	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_158	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_158	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_158	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_158	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_158	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_158	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_158	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_158	O=CCCCCCCCCC=C	C112458
MACCS_158	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_158	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_158	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_158	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_158	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_158	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_158	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_158	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_158	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_158	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_158	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_158	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_158	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_158	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_158	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_158	O=P(OCCCC)(O)OCCCC	C107664
MACCS_158	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_158	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_158	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_158	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_158	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_158	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_158	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_158	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_158	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_158	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_158	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_158	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_158	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_158	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_158	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_158	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_158	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_158	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_158	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_158	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_158	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_158	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_158	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_158	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_158	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_158	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_158	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_158	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_158	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_158	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_158	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_158	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_158	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_158	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_158	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_158	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_158	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_158	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_158	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_158	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_158	O=[As]c1ccccc1	C637036
MACCS_158	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_158	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_158	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_158	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_158	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_158	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_158	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_158	O=CN1CCCCC1	C2591868
MACCS_158	O=C(O)CCSCCC(=O)O	C111171
MACCS_158	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_158	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_158	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_158	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_158	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_158	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_158	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_158	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_158	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_158	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_158	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_158	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_158	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_158	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_158	O=C(OC)CCCC(=O)O	C1501275
MACCS_158	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_158	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_158	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_158	O=C(OCCCCO)C=C	C2478106
MACCS_158	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_158	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_158	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_158	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_158	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_158	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_158	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_158	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_158	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_158	NCCCOCCCCCCCC	C15930662
MACCS_158	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_158	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_158	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_158	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_158	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_158	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_158	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_158	CC1COc2ccccc2N1	C32329207
MACCS_158	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_158	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_158	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_158	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_158	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_158	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_158	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_158	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_158	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_158	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_158	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_158	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_158	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_158	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_158	O=C/C=C/CCCCCCC	C3913813
MACCS_158	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_158	COC(OC)C(C)c1ccccc1	C90879
MACCS_158	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_158	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_158	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_158	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_158	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_158	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_158	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_158	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_158	CC/C=C\CCOC(OCC)C	C28069741
MACCS_158	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_158	NNC(=O)OCc1ccccc1	C5331431
MACCS_158	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_158	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_158	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_158	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_158	Cl[In](Cl)Cl.O.O	C143983919
MACCS_158	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_158	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_158	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_158	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_158	CCCCCCCCCC(C)C=O	C110418
MACCS_158	O=COCc1ccc(OC)cc1	C122918
MACCS_158	CCCCCc1ccco1	C3777693
MACCS_158	CCC(=O)C(=O)CC	C4437518
MACCS_158	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_158	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_159	CC(=O)N	C60355
MACCS_159	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_159	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_159	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_159	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_159	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_159	CC(=O)OCc1ccccc1	C140114
MACCS_159	CC(CNCC(C)O)O	C110974
MACCS_159	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_159	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_159	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_159	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_159	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_159	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_159	Clc1c(ccc(c1)N)C	C95749
MACCS_159	ClCOC	C107302
MACCS_159	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_159	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_159	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_159	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_159	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_159	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_159	S=C(NCC)NCC	C105555
MACCS_159	CN(C)C(=O)C	C127195
MACCS_159	CN(CCO)C	C108010
MACCS_159	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_159	CN(C)N	C57147
MACCS_159	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_159	C=CCc1ccc(cc1)OC	C140670
MACCS_159	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_159	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_159	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_159	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_159	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_159	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_159	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_159	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_159	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_159	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_159	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_159	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_159	COc1ccc(cc1)O	C150765
MACCS_159	NC(=O)OC	C598550
MACCS_159	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_159	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_159	C=Cc1ccc(cc1)C	C622979
MACCS_159	O=[N+](CC)[O-]	C79243
MACCS_159	CN(C(=O)N)N=O	C684935
MACCS_159	CN(N=O)C	C62759
MACCS_159	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_159	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_159	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_159	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_159	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_159	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_159	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_159	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_159	Nc1ccccc1C.Cl	C636215
MACCS_159	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_159	O=P(OC)(OC)OC	C512561
MACCS_159	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_159	OCCOCCOCCOCCCC	C143226
MACCS_159	CCCCCCCCCC=O	C112312
MACCS_159	CCCCCCCCCCCC(=O)O	C143077
MACCS_159	O=CCCCCCC	C111717
MACCS_159	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_159	CCCCCCCCC=O	C124196
MACCS_159	OC(=O)CCCC	C109524
MACCS_159	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_159	CS(=O)C	C67685
MACCS_159	OCCC	C71238
MACCS_159	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_159	OC(C)CN	C78966
MACCS_159	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_159	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_159	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_159	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_159	Nc1ccc(CCCC)cc1	C104132
MACCS_159	CCOC(=O)CC(=O)OCC	C105533
MACCS_159	CC(O)CC(C)(C)O	C107415
MACCS_159	CCCC(=O)C	C107879
MACCS_159	CCCCCC(=O)C	C110430
MACCS_159	CCNCCO	C110736
MACCS_159	CCCCCCO	C111273
MACCS_159	CCCCCCCO	C111706
MACCS_159	CCCCCCCCCC(=O)C	C112129
MACCS_159	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_159	Oc1ccc(CC)cc1	C123079
MACCS_159	CCCCCC(=O)OCC	C123660
MACCS_159	CCCCCCCCCCCCN	C124221
MACCS_159	CCCCCCCCCO	C143088
MACCS_159	COc1ccc(OC)cc1	C150787
MACCS_159	O=C(OC(C)(C)C)C	C540885
MACCS_159	Oc1ccc(CCC)cc1	C645567
MACCS_159	CCCCCCC1OC(=O)CC1	C706149
MACCS_159	CC/C=C\CCO	C928961
MACCS_159	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
MACCS_159	CCCCCCCCCCN	C2016571
MACCS_159	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_159	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_159	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_159	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_159	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_159	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_159	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_159	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_159	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_159	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_159	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_159	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_159	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_159	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_159	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_159	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_159	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_159	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_159	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_159	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_159	c1(c(CC)cccc1)O	C90006
MACCS_159	c1c(O)cccc1CC	C620177
MACCS_159	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_159	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_159	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_159	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_159	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_159	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_159	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_159	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_159	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_159	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_159	c1cccc(OC)c1O	C90051
MACCS_159	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_159	C(=O)(O)C(C)O	C50215
MACCS_159	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_159	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_159	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_159	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_159	C[Si](=O)C	C9016006
MACCS_159	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_159	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_159	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_159	CNC	C124403
MACCS_159	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_159	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_159	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_159	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_159	CC(=C)C#N	C126987
MACCS_159	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_159	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_159	Cc1cc(O)ccc1	C108394
MACCS_159	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_159	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_159	CC(O)COC	C107982
MACCS_159	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_159	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_159	ON=CCCC	C110690
MACCS_159	O=C(OCCCC)C=C	C141322
MACCS_159	C(C)(C)(C)N	C75649
MACCS_159	C(OCCCC)C1CO1	C2426086
MACCS_159	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_159	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_159	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_159	C(C(=O)C)C(C)(C)O	C123422
MACCS_159	O=C(CC(C)C)CC(C)C	C108838
MACCS_159	N(C)(C)c1cccc(O)c1	C99070
MACCS_159	N(CCCN)(C)C	C109557
MACCS_159	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_159	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_159	Cc1c(C)cccc1O	C526750
MACCS_159	Cc1cc(C)cc(O)c1	C108689
MACCS_159	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_159	C(CCCCCC)CCCCCS	C112550
MACCS_159	O=C(OCC)c1c(N)cccc1	C87252
MACCS_159	C(CC)(C=O)CCCC	C123057
MACCS_159	OCC(C(O)CCC)CC	C94962
MACCS_159	CCC(=CCCC)C=O	C645625
MACCS_159	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_159	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_159	CC=C1CC2C=CC1C2	C16219753
MACCS_159	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_159	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_159	C(C)(C)(O)C#N	C75865
MACCS_159	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_159	O(C(C)C)C(=O)C	C108214
MACCS_159	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_159	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_159	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_159	N#CC(CCC#N)C	C4553622
MACCS_159	O=C(C)C=Cc1ccccc1	C122576
MACCS_159	C(CCCCCCC)C	C111842
MACCS_159	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_159	O(c1ccc(N)cc1)CC	C156434
MACCS_159	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_159	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_159	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_159	Cc1cccc2nn[nH]c12	C29385431
MACCS_159	O=P(OCC)(OCC)OCC	C78400
MACCS_159	N(C)(C)C	C75503
MACCS_159	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_159	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_159	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_159	Cc1cccc(C)c1	C108383
MACCS_159	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_159	N#CC(C)C	C78820
MACCS_159	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_159	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_159	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_159	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_159	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_159	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_159	O=C(C)OCC(CC)CCCC	C103093
MACCS_159	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_159	O=C1OCC(C)O1	C108327
MACCS_159	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_159	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_159	O=C(OC)CCCCCCCCC	C110429
MACCS_159	O=C(C)OCCOC(=O)C	C111557
MACCS_159	O=C(C)OCCOCCCC	C112072
MACCS_159	CCCCCCCCCCCCN(C)C	C112185
MACCS_159	OCCOCCOCCOC	C112356
MACCS_159	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_159	O=Cc1ccc(OC)cc1	C123115
MACCS_159	OC(CCCCCC)C	C123966
MACCS_159	OCC(N)(C)C	C124685
MACCS_159	OCC(C)(C)CO	C126307
MACCS_159	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_159	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_159	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_159	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_159	CC1=CCC(=C(C)C)CC1	C586629
MACCS_159	O=COC(C)C	C625558
MACCS_159	Cl[Sn](CCCC)(Cl)CCCC	C683181
MACCS_159	Cl[Sn](C)(C)Cl	C753731
MACCS_159	OC(C)COc1ccccc1	C770354
MACCS_159	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_159	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_159	O=C(N(C)C)CCCCCCC	C1118929
MACCS_159	Nc1cccc(C)c1C	C1300738
MACCS_159	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_159	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_159	OCCOCCOCCOCCOCCCC	C1559348
MACCS_159	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_159	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_159	O=C(N(C)C)CC(=O)C	C2044646
MACCS_159	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_159	OCCOCCC	C2807309
MACCS_159	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_159	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_159	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_159	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_159	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_159	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_159	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_159	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_159	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_159	Nc1c(C)cccc1CC	C24549062
MACCS_159	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_159	Clc1cccc(C)c1	C25168052
MACCS_159	CC(CO)O	C25322694
MACCS_159	SC(C)(C)CCCCCC	C25360105
MACCS_159	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_159	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_159	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_159	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_159	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_159	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_159	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_159	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_159	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_159	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_159	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_159	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_159	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_159	OC(CCCC(C)C)(C)CC	C78693
MACCS_159	Cc1cc(C)c(C)cc1C	C95932
MACCS_159	O=C(c1ccc(O)cc1)C	C99934
MACCS_159	CN1CCOCC1	C109024
MACCS_159	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_159	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_159	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_159	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_159	[S-]C(=S)NC.[Na+]	C137428
MACCS_159	O=C(C=C(C)C)C	C141797
MACCS_159	Cl[Sn](Cl)(Cl)CCCC	C1118463
MACCS_159	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_159	OC(C)COCCC	C1569013
MACCS_159	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_159	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_159	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_159	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_159	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_159	OCC(CCC)CCCCC	C10042598
MACCS_159	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_159	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_159	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_159	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_159	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_159	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_159	CC(=C)C1CC=C(C)CC1	C138863
MACCS_159	OC1CC(CCC1C(C)C)C	C1490046
MACCS_159	OCCC(C)CC(C)(C)C	C3452979
MACCS_159	OC(OCCCC)CC	C29387868
MACCS_159	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_159	ClC(Cl)(C)C	C594207
MACCS_159	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_159	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_159	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_159	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_159	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_159	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_159	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_159	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_159	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_159	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_159	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_159	OCn1nc(C)cc1C	C85264331
MACCS_159	OCCSCCCCCCCC	C3547339
MACCS_159	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_159	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_159	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_159	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_159	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_159	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_159	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_159	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_159	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_159	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_159	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_159	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_159	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_159	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_159	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_159	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_159	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_159	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_159	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_159	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_159	O=C1OC(CCCCC)CC1	C104610
MACCS_159	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_159	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_159	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_159	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_159	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_159	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_159	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_159	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_159	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_159	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_159	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_159	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_159	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_159	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_159	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_159	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_159	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_159	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_159	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_159	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
MACCS_159	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_159	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_159	OC(CCCCC)C=C	C3391864
MACCS_159	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_159	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_159	Cc1ccc(C)c2c1cccc2	C571584
MACCS_159	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_159	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_159	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_159	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_159	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_159	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_159	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_159	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_159	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_159	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_159	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_159	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_159	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_159	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_159	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_159	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_159	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_159	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_159	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_159	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_159	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_159	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_159	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_159	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_159	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_159	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_159	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_159	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_159	O=C(CC)OCC	C105373
MACCS_159	O=C(c1ccccc1O)C	C118934
MACCS_159	O=C1OCC(CC)O1	C4437858
MACCS_159	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_159	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_159	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_159	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_159	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_159	Nc1ccc(CCCCC)cc1	C33228443
MACCS_159	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_159	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_159	O=C(OCC)c1c(C)cccc1	C87241
MACCS_159	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_159	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_159	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_159	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_159	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_159	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_159	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_159	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_159	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_159	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_159	CC(C)C1=CCC(=CC1)C	C99854
MACCS_159	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_159	CC1=CC=C(C(C)C)CC1	C99865
MACCS_159	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_159	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_159	CC(O)COCC	C1569024
MACCS_159	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_159	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_159	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_159	Oc1ccccc1CN(C)C	C120650
MACCS_159	O=C1CCC(O1)CC	C695067
MACCS_159	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_159	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_159	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_159	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_159	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_159	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_159	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_159	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_159	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_159	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_159	OC(CCCC(C)C)(C)C	C13254347
MACCS_159	O=C/C=C/CCC	C6728263
MACCS_159	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_159	OC(CC(C)C)(C)C#C	C107540
MACCS_159	O=C(C)OCC/C=C\CC	C3681718
MACCS_159	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_159	CCC(c1ccccc1)CCC	C4468422
MACCS_159	O=CCC/C=C\CCCCC	C21662099
MACCS_159	O=c1ccoc(CC)c1O	C4940118
MACCS_159	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_159	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_159	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_159	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_159	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_159	O=C(CCC)OCCCCC	C540181
MACCS_159	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_159	O=C(C)OC(C)c1ccccc1	C93925
MACCS_159	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_159	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_159	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_159	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_159	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_159	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_159	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_159	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_159	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_159	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_159	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_159	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_159	OC1CC(C)(C)CC(C)C1	C116029
MACCS_159	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_159	OP(OCC)OCC	C762049
MACCS_159	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_159	OCCOCC(CC)CCCC	C1559359
MACCS_159	O=C(CC)CCCCC	C106683
MACCS_159	OCCN(CC)CCO	C139877
MACCS_159	CCOC(OCC)OCC	C122510
MACCS_159	CCO[Si](OCC)(OCC)CC	C78079
MACCS_159	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_159	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_159	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_159	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_159	O=C(CCC)OCCCCCCC	C5870939
MACCS_159	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_159	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_159	Oc1cc(C(C)C)ccc1C	C499752
MACCS_159	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_159	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_159	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_159	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_159	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_159	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_159	S=C(NC)NC	C534134
MACCS_159	OC(C)C(=O)OCCCC	C138227
MACCS_159	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_159	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_159	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_159	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_159	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_159	Oc1c(OCC)cccc1	C94713
MACCS_159	Oc1ccc(C(C)C)cc1	C99898
MACCS_159	COc1ccc(CCC)cc1	C104450
MACCS_159	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_159	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_159	CO[Si](C)(C)OC	C1112396
MACCS_159	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_159	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_159	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_159	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_159	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_159	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_159	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_159	CCO[Si](OCC)(C)OCC	C2031676
MACCS_159	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_159	CO[Si](OC)(CCC)OC	C1067250
MACCS_159	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_159	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_159	O=C(C)OCCCCCCCC	C112141
MACCS_159	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_159	NNC(=S)NC	C6610293
MACCS_159	Oc1c(C(C)C)cccc1	C88697
MACCS_159	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_159	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_159	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_159	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_159	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_159	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_159	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_159	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_159	Oc1cc(C(C)C)ccc1	C618451
MACCS_159	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_159	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_159	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_159	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_159	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_159	OCC(CCCC)CCCCCC	C3913028
MACCS_159	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_159	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_159	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_159	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_159	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_159	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_159	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_159	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_159	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_159	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_159	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_159	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_159	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_159	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_159	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_159	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_159	Oc1ccc(CCCC)cc1	C1638228
MACCS_159	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_159	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_159	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_159	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_159	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_159	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_159	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_159	OCCOCC(C)OCCO	C9003116
MACCS_159	O=C1OC(CCC)CC1	C105215
MACCS_159	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_159	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_159	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_159	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_159	Nc1ccc(CCC)cc1	C2696846
MACCS_159	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_159	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_159	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_159	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_159	Sc1ccc(C)cc1	C106456
MACCS_159	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_159	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_159	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_159	Clc1ccc(CCCC)cc1	C15499271
MACCS_159	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_159	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_159	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_159	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_159	O=C1CCC(CCC)CC1	C40649363
MACCS_159	Nc1ccc(cc1)OCCCC	C4344552
MACCS_159	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_159	O=C(c1ccccc1)C(C)C	C611701
MACCS_159	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_159	OC1CCC(CCCC)CC1	C70568604
MACCS_159	Clc1ccc(CCCCC)cc1	C79098207
MACCS_159	O=C(OC)c1c(C)cccc1	C89714
MACCS_159	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_159	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_159	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_159	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_159	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_159	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_159	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_159	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_159	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_159	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_159	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_159	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_159	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_159	C[As](=O)(C)O	C75605
MACCS_159	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_159	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_159	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_159	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_159	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_159	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_159	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_159	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_159	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_159	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_159	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_159	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_159	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_159	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_159	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_159	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_159	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_159	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_159	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_159	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_159	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_159	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_159	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_159	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_159	CSC(=NOC(=O)NC)C	C16752775
MACCS_159	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_159	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_159	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_159	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_159	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_159	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_159	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_159	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_159	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_159	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_159	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_159	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_159	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_159	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_159	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_159	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_159	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_159	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_159	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_159	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_159	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_159	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_159	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_159	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_159	CCCN(CCC)C(=O)SCC	C759944
MACCS_159	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_159	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_159	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_159	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_159	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_159	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_159	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_159	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_159	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_159	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_159	NP(=O)(OC)SC	C10265926
MACCS_159	OCCOC	C109864
MACCS_159	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_159	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_159	O=C(SCC)N1CCCCCC1	C2212671
MACCS_159	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_159	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_159	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_159	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_159	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_159	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_159	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_159	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_159	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_159	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_159	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_159	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_159	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_159	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_159	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_159	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_159	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_159	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_159	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_159	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_159	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_159	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_159	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_159	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_159	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_159	CN1CN(C)CSC1=S	C533744
MACCS_159	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_159	S=C=NC	C556616
MACCS_159	O=C(NCCCC)OCC#CI	C55406536
MACCS_159	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_159	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_159	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_159	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_159	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_159	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_159	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_159	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_159	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_159	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_159	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_159	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_159	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_159	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_159	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_159	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_159	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_159	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_159	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_159	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_159	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_159	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_159	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_159	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_159	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_159	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_159	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_159	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_159	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_159	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_159	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_159	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_159	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_159	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_159	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_159	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_159	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_159	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_159	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_159	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_159	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_159	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_159	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_159	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_159	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_159	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_159	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_159	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_159	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_159	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_159	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_159	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_159	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_159	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_159	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_159	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_159	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_159	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_159	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_159	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_159	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_159	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_159	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_159	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_159	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_159	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_159	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_159	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_159	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_159	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_159	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_159	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_159	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_159	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_159	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_159	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_159	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_159	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_159	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_159	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_159	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_159	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_159	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_159	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_159	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_159	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_159	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_159	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_159	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_159	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_159	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_159	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_159	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_159	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_159	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_159	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_159	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_159	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_159	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_159	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_159	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_159	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_159	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_159	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_159	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_159	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_159	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_159	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_159	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_159	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_159	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_159	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_159	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_159	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_159	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_159	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_159	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_159	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_159	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_159	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_159	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_159	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_159	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_159	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_159	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_159	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_159	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_159	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_159	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_159	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_159	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_159	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_159	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_159	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_159	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_159	Nc1cc(ccc1OC)C	C120718
MACCS_159	Nc1c(ccc(c1)N)C	C95807
MACCS_159	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_159	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_159	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_159	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_159	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_159	CN(c1ccccc1)C	C121697
MACCS_159	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
MACCS_159	O=C(N(C)C)Cl	C79447
MACCS_159	CN(C=O)C	C68122
MACCS_159	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_159	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_159	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_159	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_159	CCC(CCCC)CO	C104767
MACCS_159	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_159	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_159	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_159	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_159	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_159	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_159	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_159	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_159	[nH]1c(=S)n(cc1)C	C60560
MACCS_159	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_159	CS(=O)(=O)OC	C66273
MACCS_159	O=C1N(CCC1)C	C872504
MACCS_159	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_159	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_159	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_159	Cc1c2c(ccc1)cccc2	C90120
MACCS_159	Cc1cc2cccnc2cc1	C91623
MACCS_159	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_159	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_159	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_159	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_159	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_159	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_159	O=NN(CCCC)CCCC	C924163
MACCS_159	CCN(CC)N=O	C55185
MACCS_159	O=NN(CCC)CCC	C621647
MACCS_159	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_159	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_159	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_159	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_159	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_159	CC(CO)O	C57556
MACCS_159	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_159	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_159	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_159	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_159	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_159	OC(=O)C=CC=CC	C110441
MACCS_159	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_159	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_159	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_159	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_159	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_159	Cc1c(ccc(c1)C)C	C95636
MACCS_159	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_159	NC(=O)OCC	C51796
MACCS_159	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_159	OC(=O)CCC	C107926
MACCS_159	CCCCOCCOCCO	C112345
MACCS_159	CCCCCCCCCC(=O)O	C334485
MACCS_159	CC(Cl)(Cl)C(=O)O	C75990
MACCS_159	O=C(O)CCCCCC	C111148
MACCS_159	CCCCCC(=O)O	C142621
MACCS_159	CCCCCCCCC(=O)O	C112050
MACCS_159	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_159	CCCCCCCC=O	C124130
MACCS_159	CCCCCCCC(=O)O	C124072
MACCS_159	CCCCC=O	C110623
MACCS_159	CCCCCCCCCCC	C1120214
MACCS_159	Oc1cc(C)c(Cl)cc1	C59507
MACCS_159	CC1(C)NC(=O)NC1=O	C77714
MACCS_159	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_159	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_159	CCN(CC)c1ccccc1	C91667
MACCS_159	Oc1c(C)cccc1	C95487
MACCS_159	CCC(=NO)C	C96297
MACCS_159	c1ccccc1C(=O)C	C98862
MACCS_159	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_159	CN(C)c1ccc(C)cc1	C99978
MACCS_159	CCN(CCO)CC	C100378
MACCS_159	CCNc1cc(C)ccc1	C102272
MACCS_159	Oc1c(C)cc(C)cc1	C105679
MACCS_159	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_159	Oc1ccc(C)cc1	C106445
MACCS_159	Nc1ccc(C)cc1	C106490
MACCS_159	CC(=O)OCCOCC	C111159
MACCS_159	CCCCCCCCO	C111875
MACCS_159	CCOCCOCCO	C111900
MACCS_159	CCCCCCCCCCO	C112301
MACCS_159	CCCCCCCCCCCCCO	C112709
MACCS_159	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_159	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_159	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_159	Oc1c(C)cc(C)cc1C	C527606
MACCS_159	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_159	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_159	Oc1c(C)c(C)ccc1C	C2416946
MACCS_159	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_159	c1(c(O)cccc1)C(CC)C	C89725
MACCS_159	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_159	Oc1ccc(C=CC)cc1OC	C97541
MACCS_159	c1(CCCC)ccccc1	C104518
MACCS_159	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_159	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_159	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_159	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_159	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_159	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_159	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_159	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_159	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_159	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_159	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_159	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_159	C(=O)(O)C(CCC)CCC	C99661
MACCS_159	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_159	O=N(=O)c1ccc(C)cc1	C99990
MACCS_159	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_159	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_159	Nc1c(OC)cccc1	C90040
MACCS_159	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_159	Cc1ccccc1Cl	C95498
MACCS_159	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_159	O=S(=O)(OCC)OCC	C64675
MACCS_159	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_159	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_159	O=S(=O)(OC)OC	C77781
MACCS_159	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_159	Oc1cc(C)c(C)cc1	C95658
MACCS_159	Oc1c(cccc1C)C	C576261
MACCS_159	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_159	CCOCCO	C110805
MACCS_159	CCCCOCCO	C111762
MACCS_159	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_159	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_159	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_159	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_159	OCCOCCOCCOCC	C112505
MACCS_159	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_159	ON=CC(C)(C)SC	C1646759
MACCS_159	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_159	Oc1c(ccc(N)c1)C	C2835952
MACCS_159	O(CCOC)CCOC	C111966
MACCS_159	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_159	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_159	Cc1ccc(Cl)cc1	C106434
MACCS_159	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_159	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_159	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_159	O(O)C(c1ccccc1)(C)C	C80159
MACCS_159	C(CCCCCCCC)C	C124185
MACCS_159	Nc1cc(C)ccc1N	C496720
MACCS_159	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_159	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_159	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_159	O(CCOC)CCO	C111773
MACCS_159	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_159	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_159	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_159	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_159	COC(=O)CCCC(=O)OC	C1119400
MACCS_159	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_159	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_159	Oc1c(ccc(C)c1)C	C95874
MACCS_159	C(=O)(OC)CCC(=O)OC	C106650
MACCS_159	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_159	N(c1ccccc1)CC	C103695
MACCS_159	O=C(O)C(CCCC)CC	C149575
MACCS_159	C(CC(C)C)OC(=O)C	C123922
MACCS_159	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_159	o1c(C)c(O)c(=O)cc1	C118718
MACCS_159	O=C(OC)c1c(N)cccc1	C134203
MACCS_159	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_159	O=C(OC)c1c(O)cccc1	C119368
MACCS_159	C(=C)(C=C)CCC=C(C)C	C123353
MACCS_159	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_159	O=c1ccsn1CCCCCCCC	C26530201
MACCS_159	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_159	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_159	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_159	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_159	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_159	Nc1c(cccc1)C	C95534
MACCS_159	N(CCCC)(CCCC)CCCC	C102829
MACCS_159	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_159	C(OCCOC)COCCOC	C112492
MACCS_159	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_159	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_159	Nc1c(cccc1C)C	C87627
MACCS_159	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_159	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_159	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_159	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_159	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_159	CC(C)c1ccc(C)cc1	C99876
MACCS_159	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_159	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_159	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_159	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_159	OCCC(C)CCC=C(C)C	C106229
MACCS_159	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_159	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_159	OCCC(O)C	C107880
MACCS_159	OC(CC(C)C)C	C108112
MACCS_159	Nc1cccc(C)c1	C108441
MACCS_159	Cc1cc(C)cc(C)c1	C108678
MACCS_159	O=C(OC)CCCCCCC	C111115
MACCS_159	O=C(OC)CCCCCCCCCCC	C111820
MACCS_159	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_159	OCCOCCCCCC	C112254
MACCS_159	OCCCCCCCCCCC	C112425
MACCS_159	OCCCCCCCCCCCC	C112538
MACCS_159	OCCCCCCCCCCCCCC	C112721
MACCS_159	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_159	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_159	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_159	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_159	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_159	CCCCCCCCCCCCCCCC	C544763
MACCS_159	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_159	Nc1c(CC)cccc1CC	C579668
MACCS_159	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_159	O=C(C)OCCCCC	C628637
MACCS_159	CCCCCCCCCCCCCCC	C629629
MACCS_159	OCCCCCCCCCCCCCCC	C629765
MACCS_159	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_159	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
MACCS_159	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_159	Nc1cccc(C)c1N	C2687254
MACCS_159	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_159	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_159	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_159	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_159	OC(OC(O)CC)CC	C25265718
MACCS_159	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_159	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_159	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_159	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_159	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_159	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_159	OC(OCCCOC)CC	C34590948
MACCS_159	OCCCCCCCCCCCCCCCC	C36653824
MACCS_159	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_159	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_159	O=C(OC)CC(=O)OC	C108598
MACCS_159	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_159	CCC12N(COC1)COC2	C7747355
MACCS_159	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_159	O=C(N)C(=C)C	C79390
MACCS_159	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_159	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_159	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_159	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_159	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_159	S=P(OCC)(OCC)SCSCC	C298022
MACCS_159	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_159	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_159	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_159	O=c1n(C)sc(Cl)c1	C26172554
MACCS_159	O=C1CCC(O1)CCCCCCC	C104676
MACCS_159	Oc1cc(C)ccc1C(C)C	C89838
MACCS_159	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_159	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_159	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_159	CCCCCCCCN(C)C	C7378996
MACCS_159	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_159	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_159	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_159	O=C(OCC)CCC(=O)OCC	C123251
MACCS_159	O=C(CCC)OCC	C105544
MACCS_159	O=C(OCC)CCCCCC	C106309
MACCS_159	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_159	O=C(OCCCC)c1ccccc1	C136607
MACCS_159	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_159	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_159	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_159	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_159	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_159	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_159	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_159	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_159	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_159	O=C(CCC)OCCC(C)C	C106274
MACCS_159	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_159	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_159	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_159	CCCc1ccccc1	C103651
MACCS_159	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_159	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_159	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_159	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_159	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_159	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_159	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_159	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_159	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_159	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_159	CC(C)(C)c1ccccc1	C98066
MACCS_159	O=C(C)NC	C79163
MACCS_159	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_159	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_159	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_159	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_159	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_159	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_159	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_159	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_159	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_159	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_159	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_159	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_159	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_159	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_159	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_159	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_159	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_159	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_159	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_159	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_159	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_159	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_159	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_159	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_159	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_159	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_159	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_159	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_159	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_159	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_159	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_159	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_159	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_159	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_159	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_159	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_159	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_159	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_159	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_159	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_159	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_159	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_159	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_159	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_159	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_159	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_159	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_159	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_159	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_159	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_159	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_159	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_159	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_159	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_159	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_159	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_159	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_159	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_159	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_159	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_159	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_159	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_159	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_159	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_159	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_159	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_159	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_159	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_159	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_159	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_159	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_159	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_159	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_159	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_159	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_159	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_159	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_159	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_159	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_159	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_159	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_159	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_159	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_159	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_159	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_159	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_159	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_159	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_159	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_159	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_159	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_159	C=CCCCCCCCCCCCC	C1120361
MACCS_159	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_159	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_159	OC(C(CC)CCCC)C#C	C5877429
MACCS_159	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_159	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_159	C(=O)(C)O	C64197
MACCS_159	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_159	C(CO)C(C)C	C123513
MACCS_159	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_159	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_159	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_159	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_159	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_159	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_159	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_159	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_159	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_159	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_159	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_159	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_159	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_159	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_159	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_159	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_159	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_159	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_159	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_159	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_159	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_159	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_159	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_159	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_159	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_159	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_159	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_159	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_159	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_159	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_159	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_159	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_159	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_159	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_159	OCCC(OC)C	C2517433
MACCS_159	S=C(NCCCC)NCCCC	C109466
MACCS_159	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_159	O=CCC(C)CCC=C(C)C	C106230
MACCS_159	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_159	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_159	O=COCC	C109944
MACCS_159	O=C(OCC)c1ccccc1	C93890
MACCS_159	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_159	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_159	O=CCCSC	C3268493
MACCS_159	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_159	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_159	N(CCN(C)C)(C)C	C110189
MACCS_159	CCN(CC)CC	C121448
MACCS_159	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_159	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_159	CC(=O)OCC	C141786
MACCS_159	CC(=O)OCCCC	C123864
MACCS_159	CC(=O)CCC(C)C	C110123
MACCS_159	n1cc(C)ccc1	C108996
MACCS_159	CC(=O)CC(C)C	C108101
MACCS_159	CC(C)C=O	C78842
MACCS_159	CCCCCC=O	C66251
MACCS_159	CCCC=O	C123728
MACCS_159	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_159	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_159	CCC1CO1	C106887
MACCS_159	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_159	CC1CC(=O)O1	C3068880
MACCS_159	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_159	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_159	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_159	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_159	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_159	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_159	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_159	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_159	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_159	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_159	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_159	CC(c1ccc(CO)cc1)C	C536607
MACCS_159	CC(=O)C(=O)O	C127173
MACCS_159	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_159	CN(C)c1ccc(C=O)cc1	C100107
MACCS_159	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_159	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_159	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_159	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_159	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_159	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_159	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_159	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_159	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_159	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_159	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_159	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_159	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_159	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_159	Nc1ccc(OC)cc1	C104949
MACCS_159	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_159	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
MACCS_159	O=CC=CC=CCCCCC	C25152845
MACCS_159	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_159	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
MACCS_159	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_159	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_159	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_159	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_159	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_159	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_159	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_159	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_159	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_159	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_159	OCC=C(C)C	C556821
MACCS_159	ClC(=O)C(CC)CCCC	C760678
MACCS_159	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_159	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_159	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_159	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_159	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_159	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_159	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_159	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_159	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_159	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_159	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_159	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_159	O=c1cc(C)o[nH]1	C10004441
MACCS_159	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_159	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_159	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_159	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_159	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_159	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_159	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_159	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_159	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_159	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_159	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_159	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_159	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_159	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_159	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_159	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_159	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_159	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_159	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_159	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_159	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_159	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_159	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_159	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_159	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_159	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_159	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_159	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_159	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_159	Br[Sn](CC)(CC)CC	C2767546
MACCS_159	O=P(OCCCC)(O)OCCCC	C107664
MACCS_159	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_159	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_159	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_159	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_159	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_159	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_159	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_159	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_159	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_159	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_159	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_159	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_159	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_159	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_159	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_159	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_159	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_159	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_159	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_159	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_159	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_159	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_159	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_159	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_159	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_159	N#CSCCCCCCCCCCCC	C765151
MACCS_159	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_159	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_159	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_159	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_159	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_159	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_159	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_159	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_159	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_159	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_159	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_159	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_159	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_159	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_159	CCCCCCCCCCCCN.Cl	C929737
MACCS_159	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_159	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_159	BrCCCCCCCCCCCC	C143157
MACCS_159	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_159	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_159	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_159	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_159	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_159	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_159	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_159	O=C(OC)CCCC(=O)O	C1501275
MACCS_159	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_159	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_159	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_159	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_159	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_159	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_159	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_159	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_159	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_159	NCCCOCCCCCCCC	C15930662
MACCS_159	Nc1cccc(C)n1	C1824813
MACCS_159	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_159	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_159	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_159	CC1COc2ccccc2N1	C32329207
MACCS_159	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_159	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_159	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_159	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_159	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_159	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_159	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_159	O=C/C=C/CCCCCCC	C3913813
MACCS_159	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_159	COC(OC)C(C)c1ccccc1	C90879
MACCS_159	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_159	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_159	S=C=NCCCSC	C505793
MACCS_159	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_159	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_159	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_159	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_159	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_159	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_159	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_159	CC/C=C\CCOC(OCC)C	C28069741
MACCS_159	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_159	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_159	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_159	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_159	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_159	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_159	CCCCCCCCCC(C)C=O	C110418
MACCS_159	O=COCc1ccc(OC)cc1	C122918
MACCS_159	CCCCCc1ccco1	C3777693
MACCS_159	CCC(=O)C(=O)CC	C4437518
MACCS_159	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_159	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_160	CC(=O)N	C60355
MACCS_160	C=CC#N	C107131
MACCS_160	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_160	C=CCN=C=S	C57067
MACCS_160	c1(nc[nH]n1)N	C61825
MACCS_160	Nc1ccccc1.Cl	C142041
MACCS_160	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_160	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_160	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_160	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_160	[nH]1c2c(cccc2)nn1	C95147
MACCS_160	CC(CNCC(C)O)O	C110974
MACCS_160	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_160	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_160	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_160	Clc1c(ccc(c1)N)C	C95749
MACCS_160	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_160	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_160	NC(=N)NC#N	C461585
MACCS_160	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_160	S=C(NCC)NCC	C105555
MACCS_160	CN(C)C(=O)C	C127195
MACCS_160	CN(CCO)C	C108010
MACCS_160	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_160	CN(C)N	C57147
MACCS_160	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_160	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_160	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_160	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_160	c1cccc2[nH]ccc12	C120729
MACCS_160	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_160	NC(=O)OC	C598550
MACCS_160	NC(=O)c1cccnc1	C98920
MACCS_160	OC(=O)c1cccnc1	C59676
MACCS_160	O=[N+](CC)[O-]	C79243
MACCS_160	CN(C(=O)N)N=O	C684935
MACCS_160	CN(N=O)C	C62759
MACCS_160	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_160	O=NN1CCCC1	C930552
MACCS_160	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_160	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_160	Nc1ccc(cc1)N	C106503
MACCS_160	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_160	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_160	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_160	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_160	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_160	NC(=S)N	C62566
MACCS_160	Nc1ccccc1C.Cl	C636215
MACCS_160	c1(O)ccccc1C(=O)N	C65452
MACCS_160	OC(C)CN	C78966
MACCS_160	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_160	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_160	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_160	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_160	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_160	ON=C1CCCCC1	C100641
MACCS_160	OCCN1CCNCC1	C103764
MACCS_160	Nc1ccc(CCCC)cc1	C104132
MACCS_160	N#CCC#N	C109773
MACCS_160	CCNCCO	C110736
MACCS_160	CCCCCCCCCCCCN	C124221
MACCS_160	NCCN1CCNCC1	C140318
MACCS_160	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_160	CCCCCCCCCCN	C2016571
MACCS_160	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_160	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_160	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_160	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_160	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_160	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_160	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_160	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_160	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_160	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_160	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_160	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_160	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_160	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_160	NC(CO)(CO)CO	C77861
MACCS_160	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_160	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_160	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_160	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_160	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_160	CNC	C124403
MACCS_160	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_160	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_160	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_160	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_160	CC(=C)C#N	C126987
MACCS_160	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_160	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_160	O=C(N)N=NC(=O)N	C123773
MACCS_160	c1ccc2ncsc2c1	C95169
MACCS_160	ON=CCCC	C110690
MACCS_160	C(C)(C)(C)N	C75649
MACCS_160	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_160	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_160	C(CCN)CCCN	C124094
MACCS_160	N#CC(Br)(CCC#N)CBr	C35691657
MACCS_160	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_160	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_160	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_160	N(CCN)CCN	C111400
MACCS_160	N(C)(C)c1cccc(O)c1	C99070
MACCS_160	N(CCCN)(C)C	C109557
MACCS_160	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_160	OCNC(=O)NCO	C140954
MACCS_160	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_160	O=C(OCC)c1c(N)cccc1	C87252
MACCS_160	N([Si](C)(C)C)[Si](C)(C)C	C999973
MACCS_160	C(C)(C)(O)C#N	C75865
MACCS_160	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_160	N#CC(CCC#N)C	C4553622
MACCS_160	C1COCCN1	C110918
MACCS_160	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_160	c12ncccc1ccc1c2nccc1	C66717
MACCS_160	O(c1ccc(N)cc1)CC	C156434
MACCS_160	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_160	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_160	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_160	Cc1cccc2nn[nH]c12	C29385431
MACCS_160	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_160	N(C)(C)C	C75503
MACCS_160	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_160	N#CC(C)C	C78820
MACCS_160	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_160	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_160	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_160	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_160	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_160	N1CCCCCC1	C111499
MACCS_160	CCCCCCCCCCCCN(C)C	C112185
MACCS_160	OCC(N)(C)C	C124685
MACCS_160	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_160	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_160	O=C1NCCC1	C616455
MACCS_160	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_160	O=C(N)[O-].[NH4+]	C1111780
MACCS_160	O=C(N(C)C)CCCCCCC	C1118929
MACCS_160	Nc1cccc(C)c1C	C1300738
MACCS_160	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_160	O=C(N(C)C)CC(=O)C	C2044646
MACCS_160	NNC(=S)NN	C2231574
MACCS_160	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_160	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_160	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
MACCS_160	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_160	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_160	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_160	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_160	Nc1c(C)cccc1CC	C24549062
MACCS_160	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_160	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
MACCS_160	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_160	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_160	CN1CCOCC1	C109024
MACCS_160	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_160	[S-]C(=S)NC.[Na+]	C137428
MACCS_160	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_160	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_160	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_160	n1c[nH]cc1	C288324
MACCS_160	N#C[S-].[NH4+]	C1762954
MACCS_160	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_160	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_160	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_160	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_160	O=C1NC2NC(=O)NC2N1	C496468
MACCS_160	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_160	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_160	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_160	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_160	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_160	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_160	OCn1nc(C)cc1C	C85264331
MACCS_160	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_160	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_160	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_160	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_160	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_160	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_160	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_160	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_160	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_160	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_160	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_160	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_160	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_160	O=S(=O)(N)O	C5329146
MACCS_160	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_160	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_160	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_160	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_160	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_160	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_160	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_160	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_160	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_160	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_160	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_160	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_160	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_160	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_160	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_160	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_160	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_160	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_160	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_160	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_160	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_160	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_160	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_160	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_160	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_160	CC(=CCCC(=CC#N)C)C	C5146667
MACCS_160	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_160	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
MACCS_160	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_160	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_160	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_160	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_160	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_160	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_160	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_160	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_160	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_160	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_160	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_160	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_160	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_160	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_160	Nc1ccc(CCCCC)cc1	C33228443
MACCS_160	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_160	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_160	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_160	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_160	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_160	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_160	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_160	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_160	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_160	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
MACCS_160	Oc1ccccc1CN(C)C	C120650
MACCS_160	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_160	O=C(Nc1ccccc1)CCl	C587655
MACCS_160	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_160	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_160	NCCCN1CCOCC1	C123002
MACCS_160	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_160	N#Cc1c(O)cccc1	C611201
MACCS_160	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_160	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_160	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_160	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_160	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_160	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_160	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_160	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_160	OCCN(CC)CCO	C139877
MACCS_160	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_160	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_160	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_160	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_160	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_160	S=C(NC)NC	C534134
MACCS_160	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_160	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_160	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_160	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_160	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_160	O=C(N)Nc1ccccc1	C64108
MACCS_160	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_160	NNC(=S)NC	C6610293
MACCS_160	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_160	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
MACCS_160	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
MACCS_160	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_160	NCCN.I.I	C5700492
MACCS_160	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_160	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_160	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_160	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_160	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_160	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_160	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_160	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_160	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_160	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_160	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_160	Nc1ccc(CCC)cc1	C2696846
MACCS_160	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_160	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_160	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_160	Nc1ccc(cc1)OCCCC	C4344552
MACCS_160	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_160	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_160	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_160	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_160	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_160	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_160	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_160	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_160	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_160	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_160	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_160	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_160	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_160	S=C1NCCN1	C96457
MACCS_160	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_160	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_160	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_160	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
MACCS_160	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_160	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_160	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_160	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_160	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_160	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_160	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_160	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_160	S=C(N(C)C)SSC(=S)N(C)C	C137268
MACCS_160	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_160	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_160	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_160	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_160	c1ccccc1Nc1ccccc1	C122394
MACCS_160	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_160	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_160	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_160	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_160	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_160	CSC(=NOC(=O)NC)C	C16752775
MACCS_160	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_160	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_160	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_160	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_160	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_160	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_160	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_160	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_160	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_160	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_160	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_160	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_160	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_160	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_160	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_160	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_160	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_160	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_160	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_160	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_160	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_160	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_160	CCCN(CCC)C(=O)SCC	C759944
MACCS_160	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_160	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_160	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_160	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_160	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_160	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_160	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_160	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_160	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_160	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_160	NP(=O)(OC)SC	C10265926
MACCS_160	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_160	O=C(SCC)N1CCCCCC1	C2212671
MACCS_160	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_160	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_160	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_160	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_160	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_160	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_160	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_160	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_160	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_160	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_160	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_160	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_160	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_160	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_160	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_160	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_160	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_160	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_160	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_160	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_160	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_160	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_160	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_160	CN1CN(C)CSC1=S	C533744
MACCS_160	C(SC#N)SC#N	C6317186
MACCS_160	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_160	S=C=NC	C556616
MACCS_160	O=C(NCCCC)OCC#CI	C55406536
MACCS_160	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_160	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_160	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_160	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_160	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_160	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_160	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_160	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_160	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_160	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_160	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_160	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_160	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_160	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_160	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_160	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_160	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_160	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_160	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_160	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_160	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_160	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_160	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_160	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_160	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_160	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_160	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_160	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_160	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_160	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_160	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_160	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_160	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_160	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_160	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_160	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_160	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_160	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_160	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_160	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_160	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_160	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_160	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_160	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_160	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_160	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_160	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_160	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_160	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_160	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_160	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_160	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_160	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_160	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_160	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_160	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_160	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_160	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_160	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_160	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_160	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_160	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_160	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_160	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_160	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_160	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_160	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_160	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_160	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_160	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_160	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_160	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_160	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_160	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_160	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_160	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_160	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_160	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_160	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_160	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_160	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_160	N#CN	C420042
MACCS_160	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_160	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_160	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_160	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_160	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_160	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_160	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_160	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_160	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_160	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_160	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_160	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_160	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_160	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_160	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_160	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_160	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_160	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_160	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_160	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
MACCS_160	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_160	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_160	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_160	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_160	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_160	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_160	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_160	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_160	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_160	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_160	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_160	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_160	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_160	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_160	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_160	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_160	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_160	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_160	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_160	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_160	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_160	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_160	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_160	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_160	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_160	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_160	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_160	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_160	NC(=O)C=C	C79061
MACCS_160	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_160	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_160	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_160	[Na+].[N-]=[N+]=[N-]	C26628228
MACCS_160	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_160	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_160	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_160	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_160	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_160	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_160	O=C1CCCCCN1	C105602
MACCS_160	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_160	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_160	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_160	Nc1c(ccc(c1)Cl)N	C95830
MACCS_160	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_160	Nc1ccc(cc1)Cl	C106478
MACCS_160	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_160	Nc1cc(ccc1OC)C	C120718
MACCS_160	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_160	Nc1c(ccc(c1)N)C	C95807
MACCS_160	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_160	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_160	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_160	CN(c1ccccc1)C	C121697
MACCS_160	O=C(N(C)C)Cl	C79447
MACCS_160	CN(C=O)C	C68122
MACCS_160	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_160	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_160	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_160	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_160	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_160	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_160	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_160	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_160	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_160	C1N2CN3CN(C2)CN1C3	C100970
MACCS_160	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_160	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_160	Oc1cccc2cccnc12	C148243
MACCS_160	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_160	O=C(c1ccncc1)NN	C54853
MACCS_160	Sc1nc2c(cccc2)s1	C149304
MACCS_160	[nH]1c(=S)n(cc1)C	C60560
MACCS_160	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_160	O=C1N(CCC1)C	C872504
MACCS_160	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_160	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_160	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_160	Cc1cc2cccnc2cc1	C91623
MACCS_160	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_160	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_160	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_160	Nc1cc2c(cccc2)cc1	C91598
MACCS_160	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_160	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_160	O=N[O-].[Na+]	C7632000
MACCS_160	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_160	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_160	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_160	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_160	O=[N+](c1ccccc1)[O-]	C98953
MACCS_160	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_160	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_160	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_160	O=NN(CCCC)CCCC	C924163
MACCS_160	CCN(CC)N=O	C55185
MACCS_160	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_160	O=NN(CCC)CCC	C621647
MACCS_160	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_160	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_160	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_160	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_160	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_160	Nc1cc(ccc1)N	C108452
MACCS_160	C1CNCCN1	C110850
MACCS_160	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_160	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_160	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_160	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_160	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_160	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_160	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
MACCS_160	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_160	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_160	OCCN(CCO)CCO	C102716
MACCS_160	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_160	C(=O)(N)N	C57136
MACCS_160	NC(=O)OCC	C51796
MACCS_160	O=C1N(C=C)CCC1	C88120
MACCS_160	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_160	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_160	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
MACCS_160	CC1(C)NC(=O)NC1=O	C77714
MACCS_160	n1cccc2c1cccc2	C91225
MACCS_160	CCN(CC)c1ccccc1	C91667
MACCS_160	CCC(=NO)C	C96297
MACCS_160	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_160	CN(C)c1ccc(C)cc1	C99978
MACCS_160	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_160	CCN(CCO)CC	C100378
MACCS_160	CCNc1cc(C)ccc1	C102272
MACCS_160	Nc1ccc(C)cc1	C106490
MACCS_160	OCCNCCO	C111422
MACCS_160	N#CCCCCC#N	C111693
MACCS_160	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_160	OCCN	C141435
MACCS_160	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_160	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_160	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_160	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_160	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_160	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_160	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_160	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_160	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_160	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_160	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_160	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_160	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_160	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_160	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_160	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_160	O=N(=O)c1ccc(C)cc1	C99990
MACCS_160	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_160	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_160	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_160	Nc1c(OC)cccc1	C90040
MACCS_160	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_160	NC1CCCCC1	C108918
MACCS_160	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_160	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_160	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_160	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_160	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_160	O=C=NCCCCCCN=C=O	C822060
MACCS_160	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_160	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_160	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_160	ON=CC(C)(C)SC	C1646759
MACCS_160	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_160	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_160	O=C(O)c1ccc(N)cc1	C150130
MACCS_160	Oc1c(ccc(N)c1)C	C2835952
MACCS_160	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_160	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_160	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_160	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_160	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_160	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_160	Nc1cc(C)ccc1N	C496720
MACCS_160	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_160	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_160	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_160	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_160	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_160	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_160	N(c1ccccc1)CC	C103695
MACCS_160	C(=O)(N)NO	C127071
MACCS_160	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_160	O=C(OC)c1c(N)cccc1	C134203
MACCS_160	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_160	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_160	O=c1ccsn1CCCCCCCC	C26530201
MACCS_160	Nc1c(N)cccc1	C95545
MACCS_160	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_160	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_160	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_160	Nc1c(cccc1)C	C95534
MACCS_160	N(CCCC)(CCCC)CCCC	C102829
MACCS_160	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_160	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_160	Nc1c(cccc1C)C	C87627
MACCS_160	N#Cc1cnccc1	C100549
MACCS_160	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_160	Nc1cccc(C)c1	C108441
MACCS_160	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
MACCS_160	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_160	[S-]C(=S)N(C)C.[Na+]	C128041
MACCS_160	[nH]1ncnc1	C288880
MACCS_160	c1(c2ccncc2)ccncc1	C553264
MACCS_160	Nc1c(CC)cccc1CC	C579668
MACCS_160	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_160	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_160	Nc1cccc(C)c1N	C2687254
MACCS_160	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_160	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_160	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_160	CCC12N(COC1)COC2	C7747355
MACCS_160	O=C(N)C(=C)C	C79390
MACCS_160	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_160	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_160	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_160	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_160	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_160	O=c1[nH]sc2c1cccc2	C2634335
MACCS_160	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
MACCS_160	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_160	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_160	Nn1cnnc1	C584134
MACCS_160	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_160	O=c1n(C)sc(Cl)c1	C26172554
MACCS_160	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_160	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_160	CCCCCCCCN(C)C	C7378996
MACCS_160	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_160	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_160	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_160	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_160	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_160	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_160	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_160	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_160	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_160	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_160	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_160	CCCCCCCCN(CCCCCCCC)C	C4455269
MACCS_160	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_160	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_160	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_160	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_160	CN(C)CCCN(C)CCCN(C)C	C3855321
MACCS_160	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_160	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_160	O=C(C)NC	C79163
MACCS_160	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_160	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_160	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_160	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_160	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_160	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_160	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_160	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_160	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_160	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_160	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_160	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_160	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_160	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_160	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_160	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_160	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_160	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_160	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_160	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_160	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_160	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_160	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_160	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_160	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_160	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_160	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_160	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_160	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_160	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_160	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_160	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_160	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_160	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_160	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_160	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_160	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_160	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_160	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_160	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_160	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_160	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_160	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_160	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_160	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_160	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_160	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_160	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_160	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_160	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_160	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_160	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_160	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_160	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_160	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_160	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_160	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_160	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_160	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_160	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_160	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_160	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_160	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_160	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_160	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_160	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_160	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_160	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_160	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_160	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_160	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_160	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_160	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_160	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_160	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_160	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_160	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_160	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_160	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_160	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_160	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_160	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_160	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_160	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_160	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_160	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_160	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_160	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_160	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_160	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_160	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_160	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_160	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_160	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_160	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_160	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_160	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_160	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_160	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_160	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_160	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_160	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_160	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_160	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_160	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_160	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_160	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_160	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_160	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_160	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_160	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_160	C(=O)N	C75127
MACCS_160	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_160	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_160	N#CC(Br)Br	C3252435
MACCS_160	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_160	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_160	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_160	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_160	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_160	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_160	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_160	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_160	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_160	NCCOCCOCCN	C929599
MACCS_160	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_160	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_160	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_160	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_160	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_160	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_160	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_160	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_160	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_160	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_160	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_160	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_160	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_160	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_160	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_160	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_160	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_160	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_160	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_160	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_160	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_160	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_160	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_160	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_160	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_160	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_160	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_160	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_160	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_160	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_160	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_160	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
MACCS_160	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_160	S=C(NCCCC)NCCCC	C109466
MACCS_160	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_160	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_160	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_160	NCc1cccc(CN)c1	C1477550
MACCS_160	N(CCN(C)C)(C)C	C110189
MACCS_160	CCN(CC)CC	C121448
MACCS_160	n1cc(C)ccc1	C108996
MACCS_160	NCCN	C107153
MACCS_160	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_160	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_160	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_160	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_160	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_160	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_160	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_160	Clc1ccc(N)cc1.Cl	C20265967
MACCS_160	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_160	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_160	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_160	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_160	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_160	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_160	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_160	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_160	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_160	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_160	NNc1ccccc1.Cl	C59881
MACCS_160	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_160	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_160	S=C(N(C)C)SC(=S)N(C)C	C97745
MACCS_160	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_160	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_160	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_160	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_160	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_160	N#Cc1ccccc1	C100470
MACCS_160	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_160	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_160	CN(C)c1ccc(C=O)cc1	C100107
MACCS_160	Nc1ccc(Br)cc1	C106401
MACCS_160	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_160	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_160	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_160	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_160	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_160	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_160	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_160	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_160	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_160	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_160	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_160	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_160	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_160	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_160	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_160	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_160	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_160	Nc1ccc(OC)cc1	C104949
MACCS_160	c12ccccc1ccc1c2cccn1	C85029
MACCS_160	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_160	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_160	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_160	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_160	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_160	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_160	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_160	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_160	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_160	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_160	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_160	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_160	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_160	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_160	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_160	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_160	OCc1c[nH]c2c1cccc2	C700061
MACCS_160	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_160	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_160	O=c1cc(C)o[nH]1	C10004441
MACCS_160	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_160	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_160	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_160	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_160	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_160	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_160	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_160	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_160	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_160	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_160	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_160	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_160	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_160	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_160	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_160	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_160	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_160	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_160	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_160	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_160	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_160	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_160	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_160	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_160	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_160	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_160	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_160	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_160	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_160	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_160	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_160	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_160	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_160	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_160	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_160	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_160	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_160	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_160	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
MACCS_160	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_160	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_160	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_160	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_160	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_160	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_160	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_160	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_160	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_160	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_160	N#CSCCCCCCCCCCCC	C765151
MACCS_160	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_160	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_160	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_160	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_160	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_160	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_160	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_160	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_160	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_160	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_160	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_160	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_160	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_160	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_160	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_160	O=CN1CCCCC1	C2591868
MACCS_160	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_160	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_160	CCCCCCCCCCCCN.Cl	C929737
MACCS_160	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
MACCS_160	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
MACCS_160	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_160	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_160	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_160	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_160	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_160	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_160	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_160	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_160	N#C[Au-]C#N.[K+]	C13967505
MACCS_160	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_160	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_160	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_160	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_160	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_160	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_160	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_160	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_160	NCCCOCCCCCCCC	C15930662
MACCS_160	Nc1cccc(C)n1	C1824813
MACCS_160	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_160	CC1COc2ccccc2N1	C32329207
MACCS_160	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_160	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_160	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_160	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_160	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_160	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_160	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_160	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_160	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_160	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_160	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_160	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
MACCS_160	S=C=NCCCSC	C505793
MACCS_160	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_160	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_160	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_160	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_160	NNC(=O)OCc1ccccc1	C5331431
MACCS_160	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_160	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_160	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_160	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_160	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_161	c1(nc[nH]n1)N	C61825
MACCS_161	Nc1ccccc1.Cl	C142041
MACCS_161	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_161	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_161	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_161	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_161	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_161	[nH]1c2c(cccc2)nn1	C95147
MACCS_161	CC(=O)OCc1ccccc1	C140114
MACCS_161	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_161	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_161	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_161	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_161	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_161	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_161	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_161	Clc1c(ccc(c1)N)C	C95749
MACCS_161	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_161	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_161	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_161	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_161	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_161	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
MACCS_161	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_161	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_161	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_161	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_161	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_161	C=CCc1ccc(cc1)OC	C140670
MACCS_161	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_161	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_161	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_161	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_161	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_161	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_161	c1cccc2[nH]ccc12	C120729
MACCS_161	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_161	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_161	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_161	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_161	COc1ccc(cc1)O	C150765
MACCS_161	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_161	C=Cc1ccc(cc1)C	C622979
MACCS_161	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_161	NC(=O)c1cccnc1	C98920
MACCS_161	OC(=O)c1cccnc1	C59676
MACCS_161	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_161	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_161	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_161	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_161	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_161	Nc1ccc(cc1)N	C106503
MACCS_161	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_161	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_161	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_161	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_161	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_161	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_161	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_161	Nc1ccccc1C.Cl	C636215
MACCS_161	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_161	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_161	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_161	O=CCc1ccccc1	C122781
MACCS_161	c1(O)ccccc1C(=O)N	C65452
MACCS_161	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_161	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_161	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_161	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_161	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_161	O=Cc1ccccc1O	C90028
MACCS_161	Oc1cccc2ccccc12	C90153
MACCS_161	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_161	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_161	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_161	c1ccccc1Oc1ccccc1	C101848
MACCS_161	Nc1ccc(CCCC)cc1	C104132
MACCS_161	Oc1ccc(Cl)cc1	C106489
MACCS_161	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_161	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_161	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_161	Oc1ccc(CC)cc1	C123079
MACCS_161	COc1ccc(OC)cc1	C150787
MACCS_161	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_161	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_161	Oc1ccc(CCC)cc1	C645567
MACCS_161	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_161	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_161	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_161	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
MACCS_161	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_161	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_161	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_161	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_161	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_161	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_161	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_161	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_161	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_161	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_161	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_161	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_161	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_161	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_161	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_161	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_161	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_161	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_161	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_161	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_161	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_161	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_161	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_161	c1(c(CC)cccc1)O	C90006
MACCS_161	c1c(O)cccc1CC	C620177
MACCS_161	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_161	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_161	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_161	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_161	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_161	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_161	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_161	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_161	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_161	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_161	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_161	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_161	c1cccc(OC)c1O	C90051
MACCS_161	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_161	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_161	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_161	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_161	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_161	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_161	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_161	c12cc3ccc4ccccc4c3cc1cccc2	C56553
MACCS_161	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_161	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_161	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_161	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_161	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_161	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_161	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_161	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_161	Cc1cc(O)ccc1	C108394
MACCS_161	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_161	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_161	c1ccc2ncsc2c1	C95169
MACCS_161	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_161	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_161	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_161	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_161	O=C/C=C/c1ccccc1	C14371109
MACCS_161	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_161	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_161	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_161	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_161	Oc1cc(Cl)ccc1Cl	C583788
MACCS_161	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_161	N(C)(C)c1cccc(O)c1	C99070
MACCS_161	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_161	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_161	Cc1c(C)cccc1O	C526750
MACCS_161	Cc1cc(C)cc(O)c1	C108689
MACCS_161	C=Cc1ccccc1C=C	C1321740
MACCS_161	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_161	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_161	O=C(OCC)c1c(N)cccc1	C87252
MACCS_161	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_161	c1c(CO)occ1	C98000
MACCS_161	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_161	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_161	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_161	O=C(C)C=Cc1ccccc1	C122576
MACCS_161	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_161	c12ncccc1ccc1c2nccc1	C66717
MACCS_161	O(c1ccc(N)cc1)CC	C156434
MACCS_161	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_161	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_161	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_161	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_161	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_161	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_161	c12ccccc1CCCC2	C119642
MACCS_161	Cc1cccc2nn[nH]c12	C29385431
MACCS_161	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_161	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_161	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
MACCS_161	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_161	Cc1cccc(C)c1	C108383
MACCS_161	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_161	OCCc1ccccc1	C60128
MACCS_161	O=C(O)c1ccccc1O	C69727
MACCS_161	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_161	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_161	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_161	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_161	O=C(O)c1ccc(O)cc1	C99967
MACCS_161	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_161	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_161	Sc1ccccc1	C108985
MACCS_161	O=Cc1ccc(OC)cc1	C123115
MACCS_161	Oc1ccc2ccccc2c1	C135193
MACCS_161	[O-]c1ccccc1.[Na+]	C139026
MACCS_161	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_161	Brc1ccc(F)cc1	C460004
MACCS_161	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_161	ClP(c1ccccc1)Cl	C644973
MACCS_161	OC(C)COc1ccccc1	C770354
MACCS_161	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
MACCS_161	Nc1cccc(C)c1C	C1300738
MACCS_161	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_161	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_161	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_161	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_161	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_161	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_161	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_161	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_161	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_161	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_161	Nc1c(C)cccc1CC	C24549062
MACCS_161	Clc1cccc(C)c1	C25168052
MACCS_161	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_161	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_161	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_161	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_161	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_161	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_161	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_161	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_161	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_161	Cc1cc(C)c(C)cc1C	C95932
MACCS_161	O=C(c1ccc(O)cc1)C	C99934
MACCS_161	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_161	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_161	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_161	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_161	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_161	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_161	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_161	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_161	n1c[nH]cc1	C288324
MACCS_161	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_161	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_161	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_161	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_161	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_161	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_161	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_161	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_161	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_161	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_161	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_161	OCn1nc(C)cc1C	C85264331
MACCS_161	Clc1c(Cl)ssc1=O	C1192525
MACCS_161	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_161	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_161	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_161	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_161	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_161	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_161	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_161	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_161	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_161	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_161	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_161	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_161	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_161	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_161	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_161	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_161	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_161	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_161	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_161	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_161	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_161	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_161	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_161	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_161	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_161	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_161	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_161	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_161	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_161	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_161	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_161	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_161	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_161	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_161	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_161	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_161	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_161	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_161	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_161	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_161	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_161	Cc1ccc(C)c2c1cccc2	C571584
MACCS_161	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_161	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_161	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_161	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_161	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_161	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_161	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_161	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_161	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_161	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_161	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_161	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_161	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_161	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_161	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_161	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_161	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_161	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_161	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_161	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_161	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_161	O=C(c1ccccc1O)C	C118934
MACCS_161	O=C(CBr)OCc1ccccc1	C5437456
MACCS_161	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_161	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_161	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_161	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_161	Nc1ccc(CCCCC)cc1	C33228443
MACCS_161	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_161	O=C(OCC)c1c(C)cccc1	C87241
MACCS_161	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_161	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_161	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_161	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_161	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_161	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_161	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_161	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_161	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_161	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_161	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_161	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_161	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_161	Oc1ccccc1CN(C)C	C120650
MACCS_161	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_161	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_161	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_161	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_161	O=C(Nc1ccccc1)CCl	C587655
MACCS_161	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_161	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_161	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_161	OCC=Cc1ccccc1	C104541
MACCS_161	CCC(c1ccccc1)CCC	C4468422
MACCS_161	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_161	O=c1ccoc(CC)c1O	C4940118
MACCS_161	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_161	O=C(C)OC(C)c1ccccc1	C93925
MACCS_161	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_161	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_161	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_161	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_161	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_161	N#Cc1c(O)cccc1	C611201
MACCS_161	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_161	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_161	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_161	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_161	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_161	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_161	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_161	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_161	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_161	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_161	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_161	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_161	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_161	c1(Cc2ccccc2)ccccc1	C101815
MACCS_161	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_161	c12ccccc1CC=C2	C95136
MACCS_161	Oc1cc(C(C)C)ccc1C	C499752
MACCS_161	c1([Hg]c2ccccc2)ccccc1	C587859
MACCS_161	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_161	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_161	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_161	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_161	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_161	Oc1c(OCC)cccc1	C94713
MACCS_161	Oc1ccc(C(C)C)cc1	C99898
MACCS_161	COc1ccc(CCC)cc1	C104450
MACCS_161	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_161	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_161	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_161	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_161	OC(CO)c1ccccc1	C93561
MACCS_161	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_161	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_161	O=C(N)Nc1ccccc1	C64108
MACCS_161	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_161	Oc1c(C(C)C)cccc1	C88697
MACCS_161	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_161	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_161	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_161	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_161	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_161	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_161	Oc1cc(C(C)C)ccc1	C618451
MACCS_161	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_161	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_161	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_161	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_161	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_161	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_161	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_161	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_161	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_161	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_161	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_161	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_161	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_161	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_161	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_161	Oc1ccc(CCCC)cc1	C1638228
MACCS_161	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_161	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_161	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_161	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_161	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_161	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_161	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_161	c12ccccc1c1c(cccc1)s2	C132650
MACCS_161	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_161	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_161	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_161	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_161	Nc1ccc(CCC)cc1	C2696846
MACCS_161	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_161	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_161	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_161	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_161	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_161	Sc1ccc(C)cc1	C106456
MACCS_161	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_161	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_161	Clc1ccc(CCCC)cc1	C15499271
MACCS_161	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_161	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_161	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_161	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_161	Nc1ccc(cc1)OCCCC	C4344552
MACCS_161	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_161	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_161	O=C(c1ccccc1)C(C)C	C611701
MACCS_161	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_161	Clc1ccc(CCCCC)cc1	C79098207
MACCS_161	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_161	O=C(OC)c1c(C)cccc1	C89714
MACCS_161	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_161	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_161	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_161	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_161	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_161	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_161	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_161	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_161	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_161	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_161	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_161	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_161	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_161	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_161	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_161	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_161	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_161	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_161	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_161	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_161	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_161	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_161	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_161	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_161	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_161	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_161	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_161	Oc1c(cccc1)c1ccccc1	C90437
MACCS_161	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_161	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_161	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_161	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_161	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_161	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_161	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_161	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_161	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_161	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_161	c1ccccc1Nc1ccccc1	C122394
MACCS_161	c1ccccc1OCCO	C122996
MACCS_161	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_161	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_161	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_161	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_161	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_161	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_161	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_161	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_161	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_161	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_161	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_161	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_161	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_161	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_161	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_161	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_161	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_161	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_161	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_161	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_161	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_161	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_161	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_161	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_161	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_161	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_161	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_161	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_161	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_161	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_161	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_161	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_161	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_161	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_161	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_161	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_161	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_161	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_161	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_161	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_161	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_161	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_161	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_161	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_161	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_161	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_161	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_161	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_161	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_161	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_161	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_161	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_161	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_161	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_161	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_161	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_161	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_161	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_161	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_161	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_161	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_161	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_161	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_161	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_161	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_161	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_161	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_161	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_161	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_161	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_161	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_161	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_161	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_161	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_161	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_161	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_161	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_161	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_161	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_161	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_161	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_161	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_161	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_161	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_161	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_161	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_161	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_161	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_161	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_161	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_161	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_161	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_161	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_161	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_161	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_161	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_161	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_161	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_161	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_161	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_161	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_161	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_161	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_161	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_161	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_161	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_161	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_161	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_161	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_161	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_161	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_161	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_161	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_161	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_161	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_161	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_161	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_161	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_161	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_161	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_161	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_161	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_161	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_161	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_161	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_161	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_161	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_161	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_161	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_161	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_161	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_161	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_161	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_161	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_161	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_161	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_161	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_161	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_161	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_161	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_161	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_161	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_161	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_161	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_161	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_161	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_161	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_161	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_161	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_161	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_161	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_161	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_161	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_161	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_161	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_161	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_161	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_161	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_161	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_161	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_161	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_161	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_161	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_161	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_161	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_161	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_161	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_161	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_161	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_161	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_161	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_161	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_161	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_161	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_161	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_161	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_161	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_161	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_161	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_161	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_161	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_161	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_161	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_161	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_161	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_161	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_161	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_161	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_161	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_161	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_161	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_161	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_161	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_161	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_161	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_161	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_161	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_161	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_161	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_161	c1coc2c1cccc2	C271896
MACCS_161	OC(=O)c1ccccc1	C65850
MACCS_161	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_161	OCc1ccccc1	C100516
MACCS_161	c1c(cccc1)c1ccccc1	C92524
MACCS_161	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_161	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_161	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_161	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_161	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_161	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_161	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_161	Oc1c(cccc1)O	C120809
MACCS_161	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_161	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_161	Nc1c(ccc(c1)Cl)N	C95830
MACCS_161	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_161	O=C(c1ccccc1)CCl	C532274
MACCS_161	Nc1ccc(cc1)Cl	C106478
MACCS_161	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_161	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_161	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_161	O=c1oc2c(cccc2)cc1	C91645
MACCS_161	Nc1cc(ccc1OC)C	C120718
MACCS_161	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_161	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
MACCS_161	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_161	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_161	Nc1c(ccc(c1)N)C	C95807
MACCS_161	Clc1c(cccc1)Cl	C95501
MACCS_161	Clc1ccc(cc1)Cl	C106467
MACCS_161	Clc1c(ccc(c1)Cl)O	C120832
MACCS_161	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_161	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_161	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_161	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_161	CN(c1ccccc1)C	C121697
MACCS_161	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
MACCS_161	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_161	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_161	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_161	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_161	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_161	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_161	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_161	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_161	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_161	O=Cc1ccco1	C98011
MACCS_161	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_161	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_161	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_161	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_161	Oc1ccc(cc1)O	C123319
MACCS_161	Oc1cccc2cccnc12	C148243
MACCS_161	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_161	O=C(c1ccncc1)NN	C54853
MACCS_161	Sc1nc2c(cccc2)s1	C149304
MACCS_161	[nH]1c(=S)n(cc1)C	C60560
MACCS_161	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_161	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_161	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_161	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_161	Cc1c2c(ccc1)cccc2	C90120
MACCS_161	Cc1cc2cccnc2cc1	C91623
MACCS_161	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_161	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_161	c1c2c(ccc1)cccc2	C91203
MACCS_161	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_161	Nc1cc2c(cccc2)cc1	C91598
MACCS_161	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_161	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_161	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_161	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_161	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_161	O=[N+](c1ccccc1)[O-]	C98953
MACCS_161	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_161	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_161	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_161	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_161	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_161	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_161	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_161	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_161	Oc1ccccc1	C108952
MACCS_161	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_161	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_161	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_161	Nc1cc(ccc1)N	C108452
MACCS_161	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_161	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_161	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_161	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_161	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_161	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_161	Oc1cc(ccc1)O	C108463
MACCS_161	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_161	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_161	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_161	C1C(c2ccccc2)O1	C96093
MACCS_161	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_161	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_161	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_161	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_161	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_161	Cc1c(ccc(c1)C)C	C95636
MACCS_161	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_161	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_161	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_161	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_161	Oc1ccccc1Cl	C95578
MACCS_161	Oc1cc(C)c(Cl)cc1	C59507
MACCS_161	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_161	c1ccc2cccc3c2c1CC3	C83329
MACCS_161	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_161	n1cccc2c1cccc2	C91225
MACCS_161	CCN(CC)c1ccccc1	C91667
MACCS_161	Oc1c(C)cccc1	C95487
MACCS_161	c1ccccc1C(=O)C	C98862
MACCS_161	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_161	CN(C)c1ccc(C)cc1	C99978
MACCS_161	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_161	CCNc1cc(C)ccc1	C102272
MACCS_161	Oc1c(C)cc(C)cc1	C105679
MACCS_161	Oc1ccc(C)cc1	C106445
MACCS_161	Nc1ccc(C)cc1	C106490
MACCS_161	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_161	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_161	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_161	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_161	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_161	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_161	c1cccc2c3ccccc3oc12	C132649
MACCS_161	Oc1c(C)cc(C)cc1C	C527606
MACCS_161	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_161	Clc1cc(Cl)ccc1	C541731
MACCS_161	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_161	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_161	Oc1c(C)c(C)ccc1C	C2416946
MACCS_161	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_161	c1(c(O)cccc1)C(CC)C	C89725
MACCS_161	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_161	Oc1ccc(C=CC)cc1OC	C97541
MACCS_161	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_161	c1(CCCC)ccccc1	C104518
MACCS_161	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_161	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_161	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_161	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_161	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_161	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_161	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_161	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_161	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_161	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_161	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_161	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_161	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_161	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_161	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_161	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_161	O=N(=O)c1ccc(C)cc1	C99990
MACCS_161	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_161	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_161	c1cc2cccc3C=Cc(c1)c23	C208968
MACCS_161	Nc1c(OC)cccc1	C90040
MACCS_161	c1ccc2cc3ccccc3cc2c1	C120127
MACCS_161	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
MACCS_161	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_161	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_161	Cc1ccccc1Cl	C95498
MACCS_161	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_161	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_161	Oc1cc(C)c(C)cc1	C95658
MACCS_161	Oc1c(cccc1C)C	C576261
MACCS_161	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_161	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_161	c1cccc2c1c1cccc3cccc2c13	C206440
MACCS_161	c1cccc2Cc3ccccc3c12	C86737
MACCS_161	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_161	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_161	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_161	c1cc2c(cc1)c1c(cccc1)cc2	C85018
MACCS_161	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_161	c12cccc3c1c1c(cccc1cc3)cc2	C129000
MACCS_161	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_161	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_161	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_161	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_161	O=C(O)c1ccc(N)cc1	C150130
MACCS_161	Oc1c(ccc(N)c1)C	C2835952
MACCS_161	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_161	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_161	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_161	Cc1ccc(Cl)cc1	C106434
MACCS_161	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_161	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_161	O(O)C(c1ccccc1)(C)C	C80159
MACCS_161	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_161	Nc1cc(C)ccc1N	C496720
MACCS_161	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_161	c1(ccccc1)C(Cl)Cl	C98873
MACCS_161	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_161	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_161	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_161	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_161	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_161	Oc1c(ccc(C)c1)C	C95874
MACCS_161	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_161	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_161	N(c1ccccc1)CC	C103695
MACCS_161	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_161	o1c(C)c(O)c(=O)cc1	C118718
MACCS_161	O=C(OC)c1c(N)cccc1	C134203
MACCS_161	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_161	O=C(OC)c1c(O)cccc1	C119368
MACCS_161	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_161	O=c1ccsn1CCCCCCCC	C26530201
MACCS_161	Nc1c(N)cccc1	C95545
MACCS_161	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_161	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_161	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_161	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_161	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_161	Nc1c(cccc1)C	C95534
MACCS_161	Clc1c(Cl)cccc1Cl	C87616
MACCS_161	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_161	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_161	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_161	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_161	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_161	Nc1c(cccc1C)C	C87627
MACCS_161	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_161	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_161	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_161	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_161	CC(C)c1ccc(C)cc1	C99876
MACCS_161	N#Cc1cnccc1	C100549
MACCS_161	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_161	Nc1cccc(C)c1	C108441
MACCS_161	Cc1cc(C)cc(C)c1	C108678
MACCS_161	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_161	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_161	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_161	[nH]1ncnc1	C288880
MACCS_161	c1(c2ccncc2)ccncc1	C553264
MACCS_161	Nc1c(CC)cccc1CC	C579668
MACCS_161	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_161	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_161	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_161	Nc1cccc(C)c1N	C2687254
MACCS_161	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_161	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_161	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_161	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_161	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_161	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_161	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_161	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_161	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_161	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_161	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_161	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_161	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_161	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_161	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_161	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_161	O=Cc1ccccc1C=O	C643798
MACCS_161	O=c1[nH]sc2c1cccc2	C2634335
MACCS_161	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_161	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_161	Nn1cnnc1	C584134
MACCS_161	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_161	O=c1n(C)sc(Cl)c1	C26172554
MACCS_161	Oc1cc(C)ccc1C(C)C	C89838
MACCS_161	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_161	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_161	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_161	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_161	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_161	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_161	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_161	O=C(OCCCC)c1ccccc1	C136607
MACCS_161	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_161	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_161	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_161	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_161	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_161	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_161	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_161	CCCc1ccccc1	C103651
MACCS_161	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_161	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_161	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_161	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_161	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_161	CC(C)(C)c1ccccc1	C98066
MACCS_161	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_161	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_161	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_161	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_161	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_161	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_161	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_161	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_161	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_161	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_161	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_161	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_161	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_161	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_161	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_161	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_161	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_161	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_161	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_161	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_161	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_161	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_161	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_161	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_161	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_161	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_161	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_161	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_161	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_161	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_161	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_161	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_161	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_161	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_161	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_161	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_161	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_161	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_161	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_161	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_161	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_161	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_161	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_161	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_161	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_161	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_161	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_161	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_161	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_161	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_161	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_161	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_161	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_161	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_161	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_161	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_161	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_161	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_161	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_161	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_161	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_161	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_161	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_161	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_161	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_161	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_161	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_161	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_161	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_161	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_161	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_161	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_161	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_161	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_161	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_161	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_161	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_161	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_161	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_161	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_161	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_161	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_161	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_161	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_161	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_161	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_161	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_161	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_161	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_161	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_161	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_161	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_161	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_161	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_161	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_161	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_161	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_161	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_161	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_161	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_161	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_161	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_161	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_161	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_161	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_161	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_161	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_161	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_161	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_161	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_161	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_161	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_161	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_161	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_161	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_161	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_161	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_161	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_161	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_161	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_161	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_161	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_161	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_161	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_161	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_161	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_161	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_161	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_161	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_161	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_161	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_161	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_161	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_161	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_161	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_161	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_161	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_161	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_161	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_161	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_161	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_161	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_161	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_161	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_161	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_161	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_161	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_161	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_161	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_161	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_161	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_161	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_161	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_161	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_161	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_161	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_161	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_161	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_161	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_161	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_161	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_161	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_161	O=C(OCC)c1ccccc1	C93890
MACCS_161	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_161	NCc1cccc(CN)c1	C1477550
MACCS_161	n1cc(C)ccc1	C108996
MACCS_161	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_161	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_161	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_161	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_161	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_161	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_161	Clc1ccc(N)cc1.Cl	C20265967
MACCS_161	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_161	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_161	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_161	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_161	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_161	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_161	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_161	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_161	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_161	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_161	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_161	NNc1ccccc1.Cl	C59881
MACCS_161	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_161	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_161	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_161	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_161	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_161	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_161	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_161	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_161	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_161	N#Cc1ccccc1	C100470
MACCS_161	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_161	CC(c1ccc(CO)cc1)C	C536607
MACCS_161	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_161	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_161	CN(C)c1ccc(C=O)cc1	C100107
MACCS_161	Nc1ccc(Br)cc1	C106401
MACCS_161	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_161	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_161	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_161	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_161	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_161	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_161	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_161	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_161	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_161	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_161	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_161	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_161	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_161	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_161	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_161	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_161	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_161	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_161	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_161	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_161	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_161	Nc1ccc(OC)cc1	C104949
MACCS_161	c12ccccc1ccc1c2cccn1	C85029
MACCS_161	Brc1ccccc1c1ccccc1	C2052075
MACCS_161	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_161	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_161	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_161	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_161	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_161	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_161	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_161	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_161	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_161	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_161	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_161	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_161	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_161	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_161	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_161	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_161	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_161	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_161	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_161	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_161	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_161	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_161	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_161	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_161	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_161	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_161	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_161	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_161	OCc1c[nH]c2c1cccc2	C700061
MACCS_161	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_161	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_161	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_161	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_161	O=c1cc(C)o[nH]1	C10004441
MACCS_161	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_161	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_161	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_161	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_161	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_161	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_161	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_161	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_161	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_161	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_161	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_161	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_161	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_161	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_161	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_161	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_161	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_161	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_161	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_161	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_161	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_161	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_161	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_161	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_161	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_161	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_161	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_161	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_161	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_161	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_161	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_161	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_161	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_161	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_161	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_161	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_161	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_161	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_161	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_161	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_161	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_161	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_161	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_161	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_161	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_161	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_161	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_161	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_161	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_161	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_161	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_161	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_161	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_161	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_161	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_161	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_161	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_161	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_161	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_161	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_161	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_161	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_161	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_161	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_161	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_161	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_161	Cl[Hg]c1ccccc1	C100561
MACCS_161	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_161	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_161	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_161	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_161	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_161	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_161	O=[As]c1ccccc1	C637036
MACCS_161	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_161	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_161	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_161	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_161	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_161	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_161	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_161	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_161	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_161	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_161	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_161	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_161	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_161	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_161	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_161	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_161	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_161	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_161	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_161	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_161	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_161	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_161	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_161	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_161	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_161	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_161	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_161	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_161	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_161	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_161	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_161	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_161	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_161	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_161	Nc1cccc(C)n1	C1824813
MACCS_161	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_161	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_161	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_161	CC1COc2ccccc2N1	C32329207
MACCS_161	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_161	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_161	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_161	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_161	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_161	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_161	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_161	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_161	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_161	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_161	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_161	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_161	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_161	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_161	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_161	COC(OC)C(C)c1ccccc1	C90879
MACCS_161	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_161	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_161	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_161	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_161	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_161	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_161	NNC(=O)OCc1ccccc1	C5331431
MACCS_161	c1(SSc2cccs2)cccs1	C6911519
MACCS_161	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_161	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_161	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_161	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_161	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_161	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_161	O=COCc1ccc(OC)cc1	C122918
MACCS_161	CCCCCc1ccco1	C3777693
MACCS_161	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_162	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_162	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_162	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_162	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_162	N1CCCCCC1	C111499
MACCS_162	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_162	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_162	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_162	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_162	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_162	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_162	O=C(SCC)N1CCCCCC1	C2212671
MACCS_162	O=C1CCCCCN1	C105602
MACCS_162	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_162	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_162	O1C2C1CCC(C2)C1CO1	C106876
MACCS_162	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_162	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_162	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_162	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_162	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_162	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_162	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_162	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_162	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_162	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_162	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_162	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_162	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_162	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_162	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_162	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_162	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_162	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_162	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_162	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_162	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_162	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_162	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_162	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_162	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_162	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_162	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_163	CC(=O)N	C60355
MACCS_163	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_163	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_163	C=CCO	C107186
MACCS_163	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_163	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_163	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_163	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_163	CC(=O)OCc1ccccc1	C140114
MACCS_163	CC(CNCC(C)O)O	C110974
MACCS_163	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_163	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_163	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_163	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_163	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_163	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_163	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_163	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_163	O=CCCl	C107200
MACCS_163	ClCOC	C107302
MACCS_163	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_163	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_163	O=C1CCCCC1	C108941
MACCS_163	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_163	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_163	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_163	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_163	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_163	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_163	CN(C)C(=O)C	C127195
MACCS_163	CN(CCO)C	C108010
MACCS_163	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_163	C=CCc1ccc(cc1)OC	C140670
MACCS_163	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_163	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_163	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_163	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_163	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_163	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_163	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_163	OC(CO)CCl	C96242
MACCS_163	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_163	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_163	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_163	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_163	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_163	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_163	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_163	COc1ccc(cc1)O	C150765
MACCS_163	NC(=O)OC	C598550
MACCS_163	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
MACCS_163	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_163	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_163	NC(=O)c1cccnc1	C98920
MACCS_163	OC(=O)c1cccnc1	C59676
MACCS_163	O=[N+](CC)[O-]	C79243
MACCS_163	CN(C(=O)N)N=O	C684935
MACCS_163	CN(N=O)C	C62759
MACCS_163	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_163	O=NN1CCCC1	C930552
MACCS_163	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_163	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_163	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_163	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_163	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_163	O=C(N(CCCC)CC)SCCC	C1114712
MACCS_163	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_163	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_163	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_163	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_163	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_163	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_163	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_163	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_163	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_163	O=P(OC)(OC)OC	C512561
MACCS_163	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
MACCS_163	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_163	O=CCc1ccccc1	C122781
MACCS_163	O=C(O)/C=C\C(=O)O	C110167
MACCS_163	OC(=O)/C=C/C(=O)O	C110178
MACCS_163	OCCOCCOCCOCCCC	C143226
MACCS_163	CCCCCCCCCC=O	C112312
MACCS_163	CCCCCCCCCCCC(=O)O	C143077
MACCS_163	O=CCCCCCC	C111717
MACCS_163	OC(=O)CCCCCCCCCCCCCCC	C57103
MACCS_163	CCCCCCCCC=O	C124196
MACCS_163	O=C(O)CCCCCCCC(=O)O	C123999
MACCS_163	OC(=O)CCCC	C109524
MACCS_163	O=C(O)CCCCCCCCCCCCC	C544638
MACCS_163	c1(O)ccccc1C(=O)N	C65452
MACCS_163	CS(=O)C	C67685
MACCS_163	OCCC	C71238
MACCS_163	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
MACCS_163	OC(C)CN	C78966
MACCS_163	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_163	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_163	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_163	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_163	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_163	O=Cc1ccccc1O	C90028
MACCS_163	Oc1cccc2ccccc12	C90153
MACCS_163	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_163	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_163	ON=C1CCCCC1	C100641
MACCS_163	c1ccccc1Oc1ccccc1	C101848
MACCS_163	OCCN1CCNCC1	C103764
MACCS_163	CCOC(=O)CC(=O)OCC	C105533
MACCS_163	Oc1ccc(Cl)cc1	C106489
MACCS_163	CC(O)CC(C)(C)O	C107415
MACCS_163	CCCC(=O)C	C107879
MACCS_163	C1CCCCC1O	C108930
MACCS_163	CCCCCC(=O)C	C110430
MACCS_163	C(O)C#CCO	C110656
MACCS_163	CCNCCO	C110736
MACCS_163	CCCCCCO	C111273
MACCS_163	CCCCCCCO	C111706
MACCS_163	CCCCCCCCCC(=O)C	C112129
MACCS_163	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_163	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_163	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_163	Oc1ccc(CC)cc1	C123079
MACCS_163	CCCCCC(=O)OCC	C123660
MACCS_163	CCCCCCCCCO	C143088
MACCS_163	COc1ccc(OC)cc1	C150787
MACCS_163	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_163	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_163	O=C(OC(C)(C)C)C	C540885
MACCS_163	Oc1ccc(CCC)cc1	C645567
MACCS_163	CCCCCCC1OC(=O)CC1	C706149
MACCS_163	C=CC(=O)OCCO	C818611
MACCS_163	CC/C=C\CCO	C928961
MACCS_163	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
MACCS_163	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
MACCS_163	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_163	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_163	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_163	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_163	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_163	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_163	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_163	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_163	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_163	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_163	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_163	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_163	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_163	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_163	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_163	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_163	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_163	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_163	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_163	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_163	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_163	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_163	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_163	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_163	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_163	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_163	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_163	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_163	c1(c(CC)cccc1)O	C90006
MACCS_163	c1c(O)cccc1CC	C620177
MACCS_163	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_163	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_163	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_163	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_163	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_163	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_163	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_163	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_163	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_163	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_163	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_163	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_163	c1cccc(OC)c1O	C90051
MACCS_163	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_163	C(=O)(O)C(C)O	C50215
MACCS_163	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_163	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_163	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_163	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_163	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
MACCS_163	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_163	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
MACCS_163	C(=O)(O)CCC(=O)O	C110156
MACCS_163	NC(CO)(CO)CO	C77861
MACCS_163	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_163	C[Si](=O)C	C9016006
MACCS_163	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
MACCS_163	[NH4+].[O-]S(=O)(=O)N	C7773060
MACCS_163	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_163	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_163	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_163	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_163	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_163	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_163	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_163	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_163	Cc1cc(O)ccc1	C108394
MACCS_163	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_163	OP(=O)(O)O	C7664382
MACCS_163	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_163	CC(O)COC	C107982
MACCS_163	[Na+].[O-]C(=O)CF	C62748
MACCS_163	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_163	O=C(N)N=NC(=O)N	C123773
MACCS_163	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_163	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_163	ON=CCCC	C110690
MACCS_163	OCCCCO	C110634
MACCS_163	O=C(OCCCC)C=C	C141322
MACCS_163	C(OCCCC)C1CO1	C2426086
MACCS_163	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_163	O=C/C=C/c1ccccc1	C14371109
MACCS_163	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_163	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_163	C(C(=O)C)C(C)(C)O	C123422
MACCS_163	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_163	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_163	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_163	Oc1cc(Cl)ccc1Cl	C583788
MACCS_163	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_163	O=C(CC(C)C)CC(C)C	C108838
MACCS_163	N(C)(C)c1cccc(O)c1	C99070
MACCS_163	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_163	OCNC(=O)NCO	C140954
MACCS_163	Cc1c(C)cccc1O	C526750
MACCS_163	Cc1cc(C)cc(O)c1	C108689
MACCS_163	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_163	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_163	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_163	O=C(OCC)c1c(N)cccc1	C87252
MACCS_163	C(CC)(C=O)CCCC	C123057
MACCS_163	OCC(C(O)CCC)CC	C94962
MACCS_163	CCC(=CCCC)C=O	C645625
MACCS_163	O=C(OCC(CCCC)CC)C=C	C103117
MACCS_163	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_163	c1c(CO)occ1	C98000
MACCS_163	O=CCCCC=O	C111308
MACCS_163	C(=O)(O)CO	C79141
MACCS_163	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_163	C(C)(C)(O)C#N	C75865
MACCS_163	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_163	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_163	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_163	O(C(C)C)C(=O)C	C108214
MACCS_163	OC(C=C)(CCC=C(C)C)C	C78706
MACCS_163	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
MACCS_163	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
MACCS_163	O=C(C)C=Cc1ccccc1	C122576
MACCS_163	C1COCCN1	C110918
MACCS_163	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_163	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
MACCS_163	C(=O)(O)C(=O)O	C144627
MACCS_163	O(c1ccc(N)cc1)CC	C156434
MACCS_163	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_163	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
MACCS_163	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_163	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_163	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_163	O=C(O)CS	C68111
MACCS_163	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_163	O=P(OCC)(OCC)OCC	C78400
MACCS_163	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_163	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_163	ClCCOP(OCCCl)OCCCl	C140089
MACCS_163	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
MACCS_163	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_163	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_163	OCCc1ccccc1	C60128
MACCS_163	O=C(O)c1ccccc1O	C69727
MACCS_163	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
MACCS_163	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_163	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_163	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_163	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_163	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_163	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_163	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_163	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_163	O=C(O)c1ccc(O)cc1	C99967
MACCS_163	O=C(C)OCC(CC)CCCC	C103093
MACCS_163	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_163	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_163	C[Si](C)(C)O[Si](C)(C)C	C107460
MACCS_163	O=C1OCC(C)O1	C108327
MACCS_163	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
MACCS_163	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
MACCS_163	O=C(OC)CCCCCCCCC	C110429
MACCS_163	O=C(O)CCCCCCCCC(=O)O	C111206
MACCS_163	O=C(C)OCCOC(=O)C	C111557
MACCS_163	O=C(C)OCCOCCCC	C112072
MACCS_163	OCCOCCOCCOC	C112356
MACCS_163	OCCOCCOCCOCCO	C112607
MACCS_163	OCC(CO)(CO)CO	C115775
MACCS_163	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
MACCS_163	O=Cc1ccc(OC)cc1	C123115
MACCS_163	OC(CCCCCC)C	C123966
MACCS_163	OCC(N)(C)C	C124685
MACCS_163	OCC(C)(C)CO	C126307
MACCS_163	Oc1ccc2ccccc2c1	C135193
MACCS_163	[O-]c1ccccc1.[Na+]	C139026
MACCS_163	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
MACCS_163	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
MACCS_163	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
MACCS_163	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_163	O=C1NCCC1	C616455
MACCS_163	O=COC(C)C	C625558
MACCS_163	OC(C)COc1ccccc1	C770354
MACCS_163	NCCC[Si](OCC)(OCC)OCC	C919302
MACCS_163	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
MACCS_163	O=C(N)[O-].[NH4+]	C1111780
MACCS_163	O=C(N(C)C)CCCCCCC	C1118929
MACCS_163	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
MACCS_163	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_163	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_163	OCCOCCOCCOCCOCCCC	C1559348
MACCS_163	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_163	OC1CCCCCCCCCCC1	C1724396
MACCS_163	NCCNCCC[Si](OC)(OC)OC	C1760243
MACCS_163	O=C(N(C)C)CC(=O)C	C2044646
MACCS_163	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_163	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_163	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_163	OCCOCCC	C2807309
MACCS_163	O=C([O-])C(CC)CCCC.[K+]	C3164850
MACCS_163	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_163	O=C(CCl)[O-].[Na+]	C3926623
MACCS_163	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_163	O=C(CS)OCC(CC)CCCC	C7659861
MACCS_163	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
MACCS_163	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_163	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_163	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
MACCS_163	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
MACCS_163	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_163	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_163	OC(OCC(OC(O)CC)C)CC	C24800440
MACCS_163	CC(CO)O	C25322694
MACCS_163	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
MACCS_163	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_163	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_163	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_163	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_163	O=C(O)C(CC)(C)CCC(C)C	C26896208
MACCS_163	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_163	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
MACCS_163	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
MACCS_163	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_163	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_163	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_163	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_163	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_163	OC(CCCC(C)C)(C)CC	C78693
MACCS_163	OCC1OCCC1	C97994
MACCS_163	O=C(c1ccc(O)cc1)C	C99934
MACCS_163	CN1CCOCC1	C109024
MACCS_163	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_163	O=C1CCCC1	C120923
MACCS_163	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_163	OC(CC(C)CC(C)C)CC(C)C	C123171
MACCS_163	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_163	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
MACCS_163	O=C(C=C(C)C)C	C141797
MACCS_163	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_163	OC(C)COCCC	C1569013
MACCS_163	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
MACCS_163	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_163	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
MACCS_163	OCC(CCC)CCCCC	C10042598
MACCS_163	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
MACCS_163	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_163	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_163	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_163	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_163	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_163	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_163	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_163	OC1CC(CCC1C(C)C)C	C1490046
MACCS_163	OCCC(C)CC(C)(C)C	C3452979
MACCS_163	[O-][N+](=O)[O-].[K+]	C7757791
MACCS_163	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
MACCS_163	OC(OCCCC)CC	C29387868
MACCS_163	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_163	O=C(C)OCCC(C)C(CC)CC	C108419336
MACCS_163	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_163	O=C1NC2NC(=O)NC2N1	C496468
MACCS_163	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_163	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_163	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_163	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_163	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_163	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
MACCS_163	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_163	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_163	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_163	OCn1nc(C)cc1C	C85264331
MACCS_163	OCCSCCCCCCCC	C3547339
MACCS_163	Clc1c(Cl)ssc1=O	C1192525
MACCS_163	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_163	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_163	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_163	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_163	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_163	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_163	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_163	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_163	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_163	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_163	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_163	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_163	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_163	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
MACCS_163	OC1CCCC1	C96413
MACCS_163	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_163	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_163	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_163	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_163	O=S(=O)(N)O	C5329146
MACCS_163	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_163	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_163	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_163	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_163	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_163	O=C1OC(CCCCC)CC1	C104610
MACCS_163	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_163	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_163	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_163	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_163	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_163	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_163	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_163	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_163	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_163	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_163	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_163	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_163	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_163	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_163	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_163	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_163	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_163	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_163	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_163	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_163	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_163	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_163	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_163	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_163	OC(CCCCC)C=C	C3391864
MACCS_163	OCCCCCCC/C=C/C=C/C	C33956499
MACCS_163	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
MACCS_163	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_163	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_163	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_163	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_163	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
MACCS_163	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
MACCS_163	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
MACCS_163	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_163	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_163	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_163	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_163	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_163	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_163	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_163	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_163	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_163	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_163	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_163	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_163	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_163	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_163	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_163	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_163	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_163	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_163	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_163	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
MACCS_163	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_163	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
MACCS_163	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_163	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_163	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_163	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_163	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_163	O=C(CC)OCC	C105373
MACCS_163	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_163	O=C(c1ccccc1O)C	C118934
MACCS_163	O=C1OCC(CC)O1	C4437858
MACCS_163	O=C(CBr)OCc1ccccc1	C5437456
MACCS_163	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_163	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_163	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_163	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_163	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
MACCS_163	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_163	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
MACCS_163	O=C(OCC)c1c(C)cccc1	C87241
MACCS_163	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_163	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_163	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_163	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_163	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_163	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_163	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_163	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_163	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_163	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_163	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_163	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_163	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_163	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_163	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_163	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_163	OCC(CCCCCC)CCCCCCCC	C2425776
MACCS_163	CC(O)COCC	C1569024
MACCS_163	O=C(C)OCCC(C)CC(C)(C)C	C58430947
MACCS_163	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_163	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_163	OCC(O)COC(=O)CCCCCCCCCCC	C142187
MACCS_163	Oc1ccccc1CN(C)C	C120650
MACCS_163	O=C1CCC(O1)CC	C695067
MACCS_163	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_163	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_163	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_163	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_163	O=C(OCC)/C=C/C=C\CCCCC	C3025307
MACCS_163	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_163	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_163	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_163	O=C(Nc1ccccc1)CCl	C587655
MACCS_163	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_163	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_163	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_163	OC(CCCC(C)C)(C)C	C13254347
MACCS_163	O=C/C=C/CCC	C6728263
MACCS_163	O1C=CCCC1	C110872
MACCS_163	O=C(CC(C)C)OCC(C)CC	C2445774
MACCS_163	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_163	OC(CC(C)C)(C)C#C	C107540
MACCS_163	O=C(C)OCC/C=C\CC	C3681718
MACCS_163	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
MACCS_163	OCC=Cc1ccccc1	C104541
MACCS_163	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_163	O=CCC/C=C\CCCCC	C21662099
MACCS_163	O=c1ccoc(CC)c1O	C4940118
MACCS_163	NCCCN1CCOCC1	C123002
MACCS_163	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
MACCS_163	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_163	OCC[C@@H](C)CCC=C(C)C	C7540514
MACCS_163	OC(CCCC(C)C=C)(C)C	C53219219
MACCS_163	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
MACCS_163	O=C(CCC)OCCCCC	C540181
MACCS_163	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
MACCS_163	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_163	O=C(C)OC(C)c1ccccc1	C93925
MACCS_163	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_163	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_163	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_163	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_163	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_163	N#Cc1c(O)cccc1	C611201
MACCS_163	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_163	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_163	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_163	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_163	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_163	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_163	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_163	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_163	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_163	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_163	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_163	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_163	OC1CC(C)(C)CC(C)C1	C116029
MACCS_163	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_163	OP(OCC)OCC	C762049
MACCS_163	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_163	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_163	OCCOCC(CC)CCCC	C1559359
MACCS_163	O=C(CC)CCCCC	C106683
MACCS_163	OCCN(CC)CCO	C139877
MACCS_163	CCOC(OCC)OCC	C122510
MACCS_163	CCO[Si](OCC)(OCC)CC	C78079
MACCS_163	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_163	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_163	O=C(CF)O	C144490
MACCS_163	O=C(CCCCCCC)OCC(O)CO	C26402266
MACCS_163	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
MACCS_163	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
MACCS_163	O=C(CCC)OCCCCCCC	C5870939
MACCS_163	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_163	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_163	Oc1cc(C(C)C)ccc1C	C499752
MACCS_163	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_163	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_163	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
MACCS_163	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_163	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_163	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
MACCS_163	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_163	OC(C)C(=O)OCCCC	C138227
MACCS_163	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_163	OC(C)(C)CCCC(C)CC=O	C107755
MACCS_163	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_163	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
MACCS_163	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_163	Oc1c(OCC)cccc1	C94713
MACCS_163	Oc1ccc(C(C)C)cc1	C99898
MACCS_163	COc1ccc(CCC)cc1	C104450
MACCS_163	O[C@@H](C)C(=O)OCCCC	C34451199
MACCS_163	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_163	CO[Si](C)(C)OC	C1112396
MACCS_163	CCCO[Si](OCCC)(OCCC)OCCC	C682019
MACCS_163	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_163	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_163	O=S(=O)(OC)[O-].[Na+]	C512425
MACCS_163	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_163	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
MACCS_163	OC(CO)c1ccccc1	C93561
MACCS_163	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_163	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
MACCS_163	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_163	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
MACCS_163	CCO[Si](OCC)(C)OCC	C2031676
MACCS_163	CCO[Si](CCCCC)(OCC)OCC	C2761242
MACCS_163	CO[Si](OC)(CCC)OC	C1067250
MACCS_163	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
MACCS_163	O=C(N)Nc1ccccc1	C64108
MACCS_163	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_163	O=C(C)OCCCCCCCC	C112141
MACCS_163	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_163	Oc1c(C(C)C)cccc1	C88697
MACCS_163	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_163	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_163	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_163	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_163	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_163	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_163	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_163	Oc1cc(C(C)C)ccc1	C618451
MACCS_163	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_163	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_163	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_163	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_163	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_163	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_163	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
MACCS_163	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_163	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
MACCS_163	OCC(CCCC)CCCCCC	C3913028
MACCS_163	[O-]C(=O)C(=C)C.[Na+]	C5536618
MACCS_163	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_163	O=C(CCCCCCCCC=C)OCC	C692864
MACCS_163	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_163	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
MACCS_163	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
MACCS_163	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_163	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
MACCS_163	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_163	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_163	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_163	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_163	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_163	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
MACCS_163	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_163	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
MACCS_163	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_163	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_163	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_163	Oc1ccc(CCCC)cc1	C1638228
MACCS_163	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_163	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_163	O=[Cl](=O)[O-].[K+]	C3811049
MACCS_163	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_163	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_163	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
MACCS_163	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_163	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
MACCS_163	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_163	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_163	OCCOCC(C)OCCO	C9003116
MACCS_163	O=C1OC(CCC)CC1	C105215
MACCS_163	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
MACCS_163	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_163	C=O	C50000
MACCS_163	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_163	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_163	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_163	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_163	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_163	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_163	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_163	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_163	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_163	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_163	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_163	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_163	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_163	O=C1CCC(CCC)CC1	C40649363
MACCS_163	Nc1ccc(cc1)OCCCC	C4344552
MACCS_163	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_163	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_163	O=C(c1ccccc1)C(C)C	C611701
MACCS_163	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_163	OC1CCC(CCCC)CC1	C70568604
MACCS_163	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_163	O=C(OC)c1c(C)cccc1	C89714
MACCS_163	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_163	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_163	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_163	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_163	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_163	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_163	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_163	OB(O)O	C10043353
MACCS_163	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_163	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_163	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_163	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_163	O=C(CCC(=O)O)NN(C)C	C1596845
MACCS_163	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_163	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_163	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_163	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_163	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_163	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_163	O=P(OC=C(Cl)Cl)(OC)OC	C62737
MACCS_163	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_163	S=P(SCC(=O)NC)(OC)OC	C60515
MACCS_163	C[As](=O)(C)O	C75605
MACCS_163	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_163	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_163	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_163	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_163	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_163	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
MACCS_163	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
MACCS_163	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_163	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_163	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_163	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
MACCS_163	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_163	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_163	Oc1c(cccc1)c1ccccc1	C90437
MACCS_163	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_163	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_163	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_163	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_163	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
MACCS_163	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_163	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_163	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_163	c1ccccc1OCCO	C122996
MACCS_163	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_163	CCOP(=S)(OCC)SCCSCC	C298044
MACCS_163	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_163	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_163	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_163	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_163	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_163	CSC(=NOC(=O)NC)C	C16752775
MACCS_163	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_163	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_163	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_163	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_163	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_163	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_163	O=C(C)NP(=O)(OC)SC	C30560191
MACCS_163	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_163	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_163	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_163	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_163	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_163	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_163	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_163	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_163	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
MACCS_163	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
MACCS_163	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_163	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_163	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_163	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_163	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_163	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_163	ClCCP(=O)(O)O	C16672870
MACCS_163	CCCN(CCC)C(=O)SCC	C759944
MACCS_163	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_163	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_163	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_163	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_163	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_163	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_163	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_163	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_163	CCCCSP(=O)(SCCCC)SCCCC	C78488
MACCS_163	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_163	NP(=O)(OC)SC	C10265926
MACCS_163	OCCOC	C109864
MACCS_163	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_163	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_163	O=C(SCC)N1CCCCCC1	C2212671
MACCS_163	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
MACCS_163	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_163	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_163	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_163	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_163	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_163	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_163	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_163	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_163	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_163	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_163	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_163	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_163	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_163	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_163	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_163	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_163	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_163	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_163	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_163	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
MACCS_163	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_163	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_163	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_163	O=C(NCCCC)OCC#CI	C55406536
MACCS_163	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_163	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_163	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
MACCS_163	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
MACCS_163	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_163	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_163	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_163	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
MACCS_163	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_163	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_163	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_163	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_163	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
MACCS_163	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_163	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_163	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_163	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_163	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_163	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_163	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_163	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_163	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_163	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_163	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_163	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_163	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
MACCS_163	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_163	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_163	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_163	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_163	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_163	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_163	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_163	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_163	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_163	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_163	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_163	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_163	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_163	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_163	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_163	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_163	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_163	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_163	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_163	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_163	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_163	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_163	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_163	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_163	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_163	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
MACCS_163	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_163	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_163	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_163	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_163	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_163	O=P(SCCC)(OCC)SCCC	C13194484
MACCS_163	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_163	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_163	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_163	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_163	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_163	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_163	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_163	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_163	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_163	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_163	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_163	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_163	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_163	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
MACCS_163	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_163	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_163	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_163	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_163	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_163	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_163	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_163	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_163	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_163	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_163	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_163	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_163	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_163	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_163	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_163	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_163	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_163	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_163	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_163	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_163	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_163	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_163	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_163	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_163	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_163	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_163	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_163	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_163	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_163	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_163	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_163	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_163	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_163	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_163	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_163	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_163	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_163	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_163	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_163	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_163	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
MACCS_163	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_163	O=C(NCCCN(C)C)OCCC.Cl	C25606411
MACCS_163	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_163	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_163	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_163	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_163	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_163	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_163	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_163	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_163	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_163	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_163	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_163	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_163	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_163	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_163	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_163	CC(C=NOC(=O)NC)(SC)C	C116063
MACCS_163	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_163	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_163	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_163	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_163	CNC(=S)[S-].[Na+].O.O.O	C6734801
MACCS_163	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_163	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_163	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_163	NC(=O)C=C	C79061
MACCS_163	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_163	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_163	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_163	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_163	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_163	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_163	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_163	c1coc2c1cccc2	C271896
MACCS_163	OC(=O)c1ccccc1	C65850
MACCS_163	OCc1ccccc1	C100516
MACCS_163	OCC(CO)(CBr)CBr	C3296900
MACCS_163	ClCCOCCCl	C111444
MACCS_163	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_163	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_163	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_163	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_163	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_163	O=C1CCCO1	C96480
MACCS_163	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_163	O=C1CCCCCN1	C105602
MACCS_163	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_163	Oc1c(cccc1)O	C120809
MACCS_163	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_163	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_163	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_163	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_163	O=C(c1ccccc1)CCl	C532274
MACCS_163	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_163	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_163	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
MACCS_163	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_163	O=c1oc2c(cccc2)cc1	C91645
MACCS_163	Nc1cc(ccc1OC)C	C120718
MACCS_163	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_163	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_163	OC(=O)C(Cl)Cl	C79436
MACCS_163	Clc1c(ccc(c1)Cl)O	C120832
MACCS_163	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_163	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_163	OCCOCCO	C111466
MACCS_163	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_163	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_163	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_163	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_163	O=C(N(C)C)Cl	C79447
MACCS_163	CN(C=O)C	C68122
MACCS_163	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_163	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_163	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_163	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_163	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_163	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_163	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_163	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_163	C(CO)O	C107211
MACCS_163	O1C2C1CCC(C2)C1CO1	C106876
MACCS_163	CCC(CCCC)CO	C104767
MACCS_163	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
MACCS_163	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_163	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_163	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_163	O=Cc1ccco1	C98011
MACCS_163	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
MACCS_163	OCC(O)CO	C56815
MACCS_163	OCC1CO1	C556525
MACCS_163	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_163	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_163	Oc1ccc(cc1)O	C123319
MACCS_163	Oc1cccc2cccnc12	C148243
MACCS_163	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_163	O=C(c1ccncc1)NN	C54853
MACCS_163	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_163	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_163	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_163	CS(=O)(=O)OC	C66273
MACCS_163	O=C1N(CCC1)C	C872504
MACCS_163	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_163	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_163	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_163	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
MACCS_163	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
MACCS_163	O=N[O-].[Na+]	C7632000
MACCS_163	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_163	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_163	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_163	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_163	O=[N+](c1ccccc1)[O-]	C98953
MACCS_163	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_163	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_163	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_163	O=NN(CCCC)CCCC	C924163
MACCS_163	CCN(CC)N=O	C55185
MACCS_163	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_163	O=NN(CCC)CCC	C621647
MACCS_163	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_163	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_163	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_163	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_163	Oc1ccccc1	C108952
MACCS_163	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_163	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_163	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_163	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_163	O=S1(=O)CCCO1	C1120714
MACCS_163	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_163	CC(CO)O	C57556
MACCS_163	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_163	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_163	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_163	Oc1cc(ccc1)O	C108463
MACCS_163	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_163	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_163	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_163	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_163	OC(=O)C=CC=CC	C110441
MACCS_163	C1C(c2ccccc2)O1	C96093
MACCS_163	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_163	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_163	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_163	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_163	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_163	ClC(C(=O)O)(Cl)Cl	C76039
MACCS_163	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_163	OCCN(CCO)CCO	C102716
MACCS_163	OCCOCCOCCO	C112276
MACCS_163	O=P(OCCCl)(OCCCl)OCCCl	C115968
MACCS_163	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
MACCS_163	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_163	C(=O)(N)N	C57136
MACCS_163	NC(=O)OCC	C51796
MACCS_163	O=C1N(C=C)CCC1	C88120
MACCS_163	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_163	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_163	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_163	OC(=O)CCC	C107926
MACCS_163	CCCCOCCOCCO	C112345
MACCS_163	Oc1ccccc1Cl	C95578
MACCS_163	CCCCCCCCCC(=O)O	C334485
MACCS_163	CC(Cl)(Cl)C(=O)O	C75990
MACCS_163	O=C(O)CCCCCC	C111148
MACCS_163	OC(=O)CCCCC(=O)O	C124049
MACCS_163	CCCCCC(=O)O	C142621
MACCS_163	CCCCCCCCC(=O)O	C112050
MACCS_163	CCCCCCCCCCCCCCCCCC(=O)O	C57114
MACCS_163	CCCCCCCC=O	C124130
MACCS_163	CCCCCCCC(=O)O	C124072
MACCS_163	CCCCC=O	C110623
MACCS_163	Oc1cc(C)c(Cl)cc1	C59507
MACCS_163	CC1(C)NC(=O)NC1=O	C77714
MACCS_163	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_163	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_163	Oc1c(C)cccc1	C95487
MACCS_163	CCC(=NO)C	C96297
MACCS_163	c1ccccc1C(=O)C	C98862
MACCS_163	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_163	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_163	CCN(CCO)CC	C100378
MACCS_163	Oc1c(C)cc(C)cc1	C105679
MACCS_163	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
MACCS_163	Oc1ccc(C)cc1	C106445
MACCS_163	ClCCO	C107073
MACCS_163	CC(=O)OCCOCC	C111159
MACCS_163	OCCNCCO	C111422
MACCS_163	CCCCCCCCO	C111875
MACCS_163	CCOCCOCCO	C111900
MACCS_163	CCCCCCCCCCO	C112301
MACCS_163	CCCCCCCCCCCCCO	C112709
MACCS_163	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_163	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_163	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_163	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_163	CCCCOP(=O)(OCCCC)OCCCC	C126738
MACCS_163	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_163	c1cccc2c3ccccc3oc12	C132649
MACCS_163	OCCN	C141435
MACCS_163	Oc1c(C)cc(C)cc1C	C527606
MACCS_163	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_163	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_163	Oc1c(C)c(C)ccc1C	C2416946
MACCS_163	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_163	c1(c(O)cccc1)C(CC)C	C89725
MACCS_163	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_163	Oc1ccc(C=CC)cc1OC	C97541
MACCS_163	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_163	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_163	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_163	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_163	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_163	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_163	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_163	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_163	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_163	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_163	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_163	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
MACCS_163	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_163	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
MACCS_163	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_163	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_163	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_163	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
MACCS_163	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_163	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_163	C(=O)(O)C(CCC)CCC	C99661
MACCS_163	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_163	O=N(=O)c1ccc(C)cc1	C99990
MACCS_163	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_163	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_163	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_163	Nc1c(OC)cccc1	C90040
MACCS_163	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_163	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_163	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_163	O=S(=O)(OCC)OCC	C64675
MACCS_163	CP(=O)(OC(C)C)OC(C)C	C1445756
MACCS_163	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_163	O=S(=O)(OC)OC	C77781
MACCS_163	Oc1cc(C)c(C)cc1	C95658
MACCS_163	Oc1c(cccc1C)C	C576261
MACCS_163	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_163	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_163	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_163	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
MACCS_163	CCOCCO	C110805
MACCS_163	CCCCOCCO	C111762
MACCS_163	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_163	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_163	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_163	O=C=NCCCCCCN=C=O	C822060
MACCS_163	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_163	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_163	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_163	OCCOCCOCCOCC	C112505
MACCS_163	O=C(SCCC)N(CCC)CCC	C1929777
MACCS_163	ON=CC(C)(C)SC	C1646759
MACCS_163	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_163	O=C(O)c1ccc(N)cc1	C150130
MACCS_163	Oc1c(ccc(N)c1)C	C2835952
MACCS_163	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_163	O(CCOC)CCOC	C111966
MACCS_163	[O-][N+](=O)C(CO)(CO)Br	C52517
MACCS_163	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_163	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_163	O=CC=C(C)CCC=C(C)C	C5392405
MACCS_163	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_163	O(O)C(c1ccccc1)(C)C	C80159
MACCS_163	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_163	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_163	O(OC(C)(C)C)C(C)(C)C	C110054
MACCS_163	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_163	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_163	OC(CCl)CCl	C96231
MACCS_163	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_163	O(CCOC)CCO	C111773
MACCS_163	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_163	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_163	C(CCCC(=O)OC)C(=O)OC	C627930
MACCS_163	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
MACCS_163	COC(=O)CCCC(=O)OC	C1119400
MACCS_163	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_163	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_163	Oc1c(ccc(C)c1)C	C95874
MACCS_163	C(=O)(OC)CCC(=O)OC	C106650
MACCS_163	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_163	O=C(O)C(CCCC)CC	C149575
MACCS_163	C(=O)(N)NO	C127071
MACCS_163	C(CC(C)C)OC(=O)C	C123922
MACCS_163	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_163	o1c(C)c(O)c(=O)cc1	C118718
MACCS_163	O=C(OC)c1c(N)cccc1	C134203
MACCS_163	O=C(NCNC(=O)C=C)C=C	C110269
MACCS_163	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_163	O=C(OC)c1c(O)cccc1	C119368
MACCS_163	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_163	O=c1ccsn1CCCCCCCC	C26530201
MACCS_163	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_163	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
MACCS_163	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_163	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_163	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_163	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_163	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_163	O=C(OCCOCCOCCOC(=O)C)C	C111217
MACCS_163	C(OCCOC)COCCOC	C112492
MACCS_163	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_163	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
MACCS_163	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_163	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_163	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_163	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_163	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_163	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
MACCS_163	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_163	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_163	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
MACCS_163	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
MACCS_163	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
MACCS_163	OCCC(C)CCC=C(C)C	C106229
MACCS_163	OC/C=C(\C)/CCC=C(C)C	C106241
MACCS_163	OC/C=C(/C)\CCC=C(C)C	C106252
MACCS_163	OCCC(O)C	C107880
MACCS_163	OC(CC(C)C)C	C108112
MACCS_163	O=C(OC)CCCCCCC	C111115
MACCS_163	O=C(OC)CCCCCCCCCCC	C111820
MACCS_163	OCCOCCCCCC	C112254
MACCS_163	OCCCCCCCCCCC	C112425
MACCS_163	OCCCCCCCCCCCC	C112538
MACCS_163	OCCCCCCCCCCCCCC	C112721
MACCS_163	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_163	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_163	OCC(CO)([N+](=O)[O-])CO	C126114
MACCS_163	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
MACCS_163	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_163	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_163	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_163	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_163	O=C(C)OCCCCC	C628637
MACCS_163	OCCCCCCCCCCCCCCC	C629765
MACCS_163	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_163	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_163	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_163	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_163	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_163	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
MACCS_163	O=C(O)C(O)CC(=O)O	C6915157
MACCS_163	OC(OC(O)CC)CC	C25265718
MACCS_163	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_163	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_163	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
MACCS_163	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_163	O=C(OCCCCCC(C)C)C=C	C29590429
MACCS_163	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
MACCS_163	OC(OCCCOC)CC	C34590948
MACCS_163	OCCCCCCCCCCCCCCCC	C36653824
MACCS_163	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_163	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_163	O=C(OC)CC(=O)OC	C108598
MACCS_163	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_163	CCC12N(COC1)COC2	C7747355
MACCS_163	OCC(C)OCC(OCC(OC)C)C	C25498491
MACCS_163	O=C(N)C(=C)C	C79390
MACCS_163	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_163	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_163	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
MACCS_163	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_163	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_163	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
MACCS_163	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
MACCS_163	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
MACCS_163	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_163	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_163	N#CC(Br)(C(=O)N)Br	C10222012
MACCS_163	S=P(OCC)(OCC)SCSCC	C298022
MACCS_163	O=Cc1ccccc1C=O	C643798
MACCS_163	O=c1[nH]sc2c1cccc2	C2634335
MACCS_163	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_163	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_163	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
MACCS_163	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_163	O=c1n(C)sc(Cl)c1	C26172554
MACCS_163	O=C1CCC(O1)CCCCCCC	C104676
MACCS_163	Oc1cc(C)ccc1C(C)C	C89838
MACCS_163	O=C(O)CCCCCCCCC=C	C112389
MACCS_163	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_163	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
MACCS_163	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_163	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
MACCS_163	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_163	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_163	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
MACCS_163	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
MACCS_163	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
MACCS_163	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
MACCS_163	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
MACCS_163	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_163	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_163	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_163	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_163	O=C(OCC)CCC(=O)OCC	C123251
MACCS_163	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
MACCS_163	O=C(CCC)OCC	C105544
MACCS_163	O=C(OCC)CCCCCC	C106309
MACCS_163	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_163	O=C(OCCCC)c1ccccc1	C136607
MACCS_163	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
MACCS_163	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_163	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_163	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_163	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_163	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_163	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_163	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_163	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_163	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
MACCS_163	O=C(CCC)OCCC(C)C	C106274
MACCS_163	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_163	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_163	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
MACCS_163	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
MACCS_163	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_163	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_163	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_163	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_163	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
MACCS_163	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
MACCS_163	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_163	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_163	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_163	O=C(C)NC	C79163
MACCS_163	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_163	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_163	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_163	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_163	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_163	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_163	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_163	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_163	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_163	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_163	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_163	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_163	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_163	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_163	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_163	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_163	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_163	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_163	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_163	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_163	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_163	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_163	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_163	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_163	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_163	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_163	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_163	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_163	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_163	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_163	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_163	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_163	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_163	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_163	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_163	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_163	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_163	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_163	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_163	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_163	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_163	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_163	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_163	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_163	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_163	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_163	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_163	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_163	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_163	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_163	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_163	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_163	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_163	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_163	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_163	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_163	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_163	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_163	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_163	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_163	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_163	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_163	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_163	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_163	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_163	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_163	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_163	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_163	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_163	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_163	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_163	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_163	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_163	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_163	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_163	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_163	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_163	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_163	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_163	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_163	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_163	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_163	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_163	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_163	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_163	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_163	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_163	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_163	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_163	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_163	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_163	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_163	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_163	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_163	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_163	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_163	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_163	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_163	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_163	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_163	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_163	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_163	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_163	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_163	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_163	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_163	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_163	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_163	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
MACCS_163	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_163	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_163	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_163	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_163	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
MACCS_163	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_163	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_163	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
MACCS_163	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
MACCS_163	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_163	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_163	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_163	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_163	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
MACCS_163	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
MACCS_163	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_163	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_163	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_163	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
MACCS_163	C(=O)N	C75127
MACCS_163	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_163	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_163	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
MACCS_163	OC(C(CC)CCCC)C#C	C5877429
MACCS_163	[Na+].[O-][Cl]=O	C7758192
MACCS_163	OCCCBr	C627189
MACCS_163	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_163	C(=O)(C)O	C64197
MACCS_163	[O-][N+](C)(C)CCCCCCCCCC	C2605790
MACCS_163	C(CO)C(C)C	C123513
MACCS_163	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_163	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_163	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_163	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_163	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_163	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_163	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
MACCS_163	NCCOCCOCCN	C929599
MACCS_163	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_163	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_163	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_163	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_163	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
MACCS_163	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
MACCS_163	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_163	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_163	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_163	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_163	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_163	O=[Si]=O	C7631869
MACCS_163	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_163	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_163	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_163	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_163	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_163	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_163	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_163	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_163	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_163	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_163	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_163	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_163	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_163	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_163	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_163	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_163	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_163	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_163	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_163	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_163	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_163	OCCC(OC)C	C2517433
MACCS_163	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_163	O=CCC(C)CCC=C(C)C	C106230
MACCS_163	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_163	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_163	O=COCC	C109944
MACCS_163	O=C(OCC)c1ccccc1	C93890
MACCS_163	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_163	O=CCCCCCCCCC/C=C\CCCC	C53939289
MACCS_163	O=CCCSC	C3268493
MACCS_163	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_163	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_163	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_163	CC(=O)OCC	C141786
MACCS_163	CC(=O)OCCCC	C123864
MACCS_163	CC(=O)CCC(C)C	C110123
MACCS_163	CC(=O)CC(C)C	C108101
MACCS_163	CC(C)C=O	C78842
MACCS_163	CCCCCC=O	C66251
MACCS_163	CCCC=O	C123728
MACCS_163	CC(CN(CC(C)O)CC(C)O)O	C122203
MACCS_163	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_163	CCC1CO1	C106887
MACCS_163	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_163	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_163	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_163	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_163	CC1CC(=O)O1	C3068880
MACCS_163	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_163	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_163	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_163	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_163	O=C(/C=C\C(=O)OCC)OCC	C141059
MACCS_163	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_163	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_163	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_163	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_163	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_163	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_163	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_163	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_163	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_163	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_163	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_163	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_163	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_163	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_163	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_163	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_163	O=C(CCl)CCl	C534076
MACCS_163	CC(c1ccc(CO)cc1)C	C536607
MACCS_163	CC(=O)C(=O)O	C127173
MACCS_163	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_163	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_163	CN(C)c1ccc(C=O)cc1	C100107
MACCS_163	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_163	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_163	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_163	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_163	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_163	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_163	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_163	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_163	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_163	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_163	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_163	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_163	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_163	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_163	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_163	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_163	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_163	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_163	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_163	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_163	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_163	Nc1ccc(OC)cc1	C104949
MACCS_163	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_163	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_163	O=CC=CC=CCCCCC	C25152845
MACCS_163	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_163	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_163	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_163	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
MACCS_163	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_163	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_163	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_163	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_163	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_163	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
MACCS_163	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_163	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_163	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_163	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_163	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_163	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_163	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_163	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_163	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_163	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
MACCS_163	ClC(=O)OCCOCCOC(=O)Cl	C106752
MACCS_163	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_163	OCC=C(C)C	C556821
MACCS_163	ClC(=O)C(CC)CCCC	C760678
MACCS_163	O=C(O)C(=O)C(C)(C)C	C815178
MACCS_163	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_163	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
MACCS_163	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_163	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_163	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
MACCS_163	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_163	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_163	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_163	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_163	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_163	OCc1c[nH]c2c1cccc2	C700061
MACCS_163	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_163	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_163	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
MACCS_163	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_163	O=c1cc(C)o[nH]1	C10004441
MACCS_163	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_163	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_163	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
MACCS_163	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
MACCS_163	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_163	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
MACCS_163	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
MACCS_163	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_163	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_163	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_163	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_163	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_163	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_163	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_163	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_163	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_163	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_163	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
MACCS_163	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_163	O=CCCCCCCCCC=C	C112458
MACCS_163	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_163	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_163	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_163	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_163	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_163	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_163	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_163	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_163	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_163	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_163	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_163	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_163	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_163	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_163	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_163	O=P(OCCCC)(O)OCCCC	C107664
MACCS_163	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_163	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_163	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_163	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_163	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_163	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_163	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_163	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_163	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_163	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_163	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_163	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_163	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_163	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_163	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_163	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_163	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_163	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_163	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_163	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_163	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_163	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_163	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_163	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_163	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_163	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
MACCS_163	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_163	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_163	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_163	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_163	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_163	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_163	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_163	OCCN(CCCCCCCCCCCC)CCO	C1541679
MACCS_163	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
MACCS_163	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_163	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_163	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_163	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_163	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_163	O=[As]c1ccccc1	C637036
MACCS_163	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_163	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_163	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
MACCS_163	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_163	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_163	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_163	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_163	O=CN1CCCCC1	C2591868
MACCS_163	O=C(O)CCSCCC(=O)O	C111171
MACCS_163	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_163	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_163	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_163	O=C(CC(=O)C)OC(C)(C)C	C1694311
MACCS_163	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_163	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
MACCS_163	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_163	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_163	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_163	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_163	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_163	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_163	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_163	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_163	O=C(OC)CCCC(=O)O	C1501275
MACCS_163	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_163	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_163	O=C(OCCOC(=O)C=C)C=C	C2274115
MACCS_163	O=C(OCCCCO)C=C	C2478106
MACCS_163	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_163	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_163	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_163	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_163	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
MACCS_163	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_163	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_163	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_163	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_163	NCCCOCCCCCCCC	C15930662
MACCS_163	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_163	O=C(O)CCCCCCCCCC(=O)O	C1852046
MACCS_163	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_163	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_163	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
MACCS_163	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_163	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
MACCS_163	CC1COc2ccccc2N1	C32329207
MACCS_163	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_163	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_163	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_163	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_163	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_163	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_163	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_163	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_163	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_163	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_163	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_163	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_163	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_163	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_163	O=C/C=C/CCCCCCC	C3913813
MACCS_163	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_163	COC(OC)C(C)c1ccccc1	C90879
MACCS_163	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_163	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_163	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
MACCS_163	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_163	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
MACCS_163	O=C(CC)OCCC(C)CCC=C(C)C	C141140
MACCS_163	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_163	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_163	CC/C=C\CCOC(OCC)C	C28069741
MACCS_163	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_163	NNC(=O)OCc1ccccc1	C5331431
MACCS_163	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_163	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_163	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_163	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_163	Cl[In](Cl)Cl.O.O	C143983919
MACCS_163	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_163	O=C(O)CSCCCCCCCCCCC	C116296312
MACCS_163	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_163	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_163	CCCCCCCCCC(C)C=O	C110418
MACCS_163	O=COCc1ccc(OC)cc1	C122918
MACCS_163	CCCCCc1ccco1	C3777693
MACCS_163	CCC(=O)C(=O)CC	C4437518
MACCS_163	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_163	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
MACCS_164	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
MACCS_164	O=C1C(NC(=O)N1)NC(=O)N	C97596
MACCS_164	c1(nc[nH]n1)N	C61825
MACCS_164	Nc1ccccc1.Cl	C142041
MACCS_164	Nc1ccc(OC)cc1.Cl	C20265978
MACCS_164	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
MACCS_164	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
MACCS_164	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
MACCS_164	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
MACCS_164	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
MACCS_164	[nH]1c2c(cccc2)nn1	C95147
MACCS_164	CC(=O)OCc1ccccc1	C140114
MACCS_164	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
MACCS_164	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
MACCS_164	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
MACCS_164	C(=O)(c1ccc(cc1)O)OCCCC	C94268
MACCS_164	CC(c1c(ccc(c1)C)O)(C)C	C2409554
MACCS_164	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
MACCS_164	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
MACCS_164	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
MACCS_164	Clc1c(ccc(c1)N)C	C95749
MACCS_164	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
MACCS_164	[N+].c1(N(N=O)[O-])ccccc1	C135206
MACCS_164	O=C1CCCCC1	C108941
MACCS_164	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
MACCS_164	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
MACCS_164	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
MACCS_164	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
MACCS_164	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
MACCS_164	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
MACCS_164	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
MACCS_164	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
MACCS_164	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
MACCS_164	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
MACCS_164	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
MACCS_164	C=CCc1ccc(cc1)OC	C140670
MACCS_164	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
MACCS_164	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
MACCS_164	CC1(C)OC2(C)CCC1CC2	C470826
MACCS_164	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
MACCS_164	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
MACCS_164	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
MACCS_164	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
MACCS_164	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
MACCS_164	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
MACCS_164	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
MACCS_164	c1cccc2[nH]ccc12	C120729
MACCS_164	O=C(Nc1ccccc1)OC(C)C	C122429
MACCS_164	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
MACCS_164	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
MACCS_164	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
MACCS_164	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
MACCS_164	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
MACCS_164	COc1ccc(cc1)O	C150765
MACCS_164	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
MACCS_164	C=Cc1ccc(cc1)C	C622979
MACCS_164	OC(=O)Cc1c2c(ccc1)cccc2	C86873
MACCS_164	NC(=O)c1cccnc1	C98920
MACCS_164	OC(=O)c1cccnc1	C59676
MACCS_164	N(c1ccc(cc1)N=O)c1ccccc1	C156105
MACCS_164	O=NN1CCCC1	C930552
MACCS_164	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
MACCS_164	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
MACCS_164	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
MACCS_164	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
MACCS_164	Nc1ccc(cc1)N	C106503
MACCS_164	Oc1ccc(cc1)c1ccccc1	C92693
MACCS_164	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
MACCS_164	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
MACCS_164	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
MACCS_164	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
MACCS_164	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
MACCS_164	c12c(C(=O)NS1(=O)=O)cccc2	C81072
MACCS_164	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
MACCS_164	Nc1ccccc1C.Cl	C636215
MACCS_164	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
MACCS_164	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
MACCS_164	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
MACCS_164	O=CCc1ccccc1	C122781
MACCS_164	c1(O)ccccc1C(=O)N	C65452
MACCS_164	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
MACCS_164	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
MACCS_164	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
MACCS_164	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
MACCS_164	Oc1c([N+](=O)[O-])cccc1	C88755
MACCS_164	O=Cc1ccccc1O	C90028
MACCS_164	Oc1cccc2ccccc12	C90153
MACCS_164	c1cc(N)ccc1C(=O)OCC	C94097
MACCS_164	Nc1cc(Cl)c(Cl)cc1	C95761
MACCS_164	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
MACCS_164	ON=C1CCCCC1	C100641
MACCS_164	c1ccccc1Oc1ccccc1	C101848
MACCS_164	OCCN1CCNCC1	C103764
MACCS_164	Nc1ccc(CCCC)cc1	C104132
MACCS_164	Oc1ccc(Cl)cc1	C106489
MACCS_164	C1CCCCC1O	C108930
MACCS_164	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
MACCS_164	Oc1c(Br)cc(Br)cc1Br	C118796
MACCS_164	O=Cc1cc(OCC)c(O)cc1	C121324
MACCS_164	Oc1ccc(CC)cc1	C123079
MACCS_164	NCCN1CCNCC1	C140318
MACCS_164	COc1ccc(OC)cc1	C150787
MACCS_164	n1c(C(=O)O)cccc1C(=O)O	C499832
MACCS_164	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
MACCS_164	Oc1ccc(CCC)cc1	C645567
MACCS_164	CCCCCCC1OC(=O)CC1	C706149
MACCS_164	Nc1ccc(OCCCCCC)cc1	C39905572
MACCS_164	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
MACCS_164	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
MACCS_164	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
MACCS_164	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
MACCS_164	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
MACCS_164	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
MACCS_164	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
MACCS_164	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
MACCS_164	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
MACCS_164	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
MACCS_164	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
MACCS_164	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
MACCS_164	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
MACCS_164	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
MACCS_164	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
MACCS_164	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
MACCS_164	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
MACCS_164	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
MACCS_164	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
MACCS_164	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
MACCS_164	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
MACCS_164	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
MACCS_164	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
MACCS_164	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
MACCS_164	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
MACCS_164	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
MACCS_164	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
MACCS_164	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
MACCS_164	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
MACCS_164	c1(c(CC)cccc1)O	C90006
MACCS_164	c1c(O)cccc1CC	C620177
MACCS_164	C(=O)(/C=C/c1ccccc1)O	C140103
MACCS_164	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
MACCS_164	c1(c(ccc(c1)Cl)O)C	C1570645
MACCS_164	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
MACCS_164	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
MACCS_164	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
MACCS_164	C(=O)(c1ccc(cc1)O)OCC	C120478
MACCS_164	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
MACCS_164	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
MACCS_164	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
MACCS_164	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
MACCS_164	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
MACCS_164	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
MACCS_164	c1cccc(OC)c1O	C90051
MACCS_164	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
MACCS_164	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
MACCS_164	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
MACCS_164	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
MACCS_164	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
MACCS_164	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
MACCS_164	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
MACCS_164	c1(C(C)C)cccc(C(C)C)c1O	C2078548
MACCS_164	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
MACCS_164	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
MACCS_164	c12cc3ccc4ccccc4c3cc1cccc2	C56553
MACCS_164	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
MACCS_164	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
MACCS_164	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
MACCS_164	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
MACCS_164	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
MACCS_164	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
MACCS_164	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
MACCS_164	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
MACCS_164	Cc1cc(O)ccc1	C108394
MACCS_164	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
MACCS_164	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
MACCS_164	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
MACCS_164	c1ccc2ncsc2c1	C95169
MACCS_164	O=C(OCc1ccccc1)c1ccccc1O	C118581
MACCS_164	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
MACCS_164	C(OCCCC)C1CO1	C2426086
MACCS_164	c1(ccc(cc1)C)C(C)(C)C	C98511
MACCS_164	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
MACCS_164	C(F)(F)(F)c1ccc(Cl)cc1	C98566
MACCS_164	O=C/C=C/c1ccccc1	C14371109
MACCS_164	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
MACCS_164	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
MACCS_164	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
MACCS_164	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
MACCS_164	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
MACCS_164	Oc1cc(Cl)ccc1Cl	C583788
MACCS_164	N(C1CCCCC1)C1CCCCC1	C101837
MACCS_164	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
MACCS_164	C12C3C=CC(C3)C1C=CC2	C77736
MACCS_164	N(C)(C)c1cccc(O)c1	C99070
MACCS_164	c1ccc2c(c1)c(c(cc2)C)C	C28804888
MACCS_164	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
MACCS_164	Cc1c(C)cccc1O	C526750
MACCS_164	Cc1cc(C)cc(O)c1	C108689
MACCS_164	C=Cc1ccccc1C=C	C1321740
MACCS_164	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
MACCS_164	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
MACCS_164	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
MACCS_164	O=C(OCC)c1c(N)cccc1	C87252
MACCS_164	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
MACCS_164	CC=C1CC2C=CC1C2	C16219753
MACCS_164	c1c(CO)occ1	C98000
MACCS_164	O=C(OCCCCCC)c1ccccc1	C6789884
MACCS_164	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
MACCS_164	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
MACCS_164	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
MACCS_164	O=C(C)C=Cc1ccccc1	C122576
MACCS_164	C1COCCN1	C110918
MACCS_164	[N+](=O)([O-])c1ccccc1N	C88744
MACCS_164	c12ncccc1ccc1c2nccc1	C66717
MACCS_164	O(c1ccc(N)cc1)CC	C156434
MACCS_164	C(=O)(OCC)C1OC1c1ccccc1	C121391
MACCS_164	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
MACCS_164	[S-]c1nc2ccccc2s1.[Na+]	C2492264
MACCS_164	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
MACCS_164	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
MACCS_164	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
MACCS_164	c12ccccc1CCCC2	C119642
MACCS_164	Cc1cccc2nn[nH]c12	C29385431
MACCS_164	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
MACCS_164	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
MACCS_164	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
MACCS_164	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
MACCS_164	O(C)c1cc(C=O)ccc1OC	C120149
MACCS_164	Cc1cccc(C)c1	C108383
MACCS_164	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
MACCS_164	OCCc1ccccc1	C60128
MACCS_164	O=C(O)c1ccccc1O	C69727
MACCS_164	CC1(C(=C)C2CCC1C2)C	C79925
MACCS_164	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
MACCS_164	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
MACCS_164	O=C1C2C(CC=CC2)C(=O)N1	C85405
MACCS_164	O=C1c2c(cccc2)C(=O)N1	C85416
MACCS_164	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
MACCS_164	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
MACCS_164	OC1CCC(C(C)(C)C)CC1	C98522
MACCS_164	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
MACCS_164	O=C(O)c1ccc(O)cc1	C99967
MACCS_164	N1(SSN2CCOCC2)CCOCC1	C103344
MACCS_164	c1(OCCOc2ccccc2)ccccc1	C104665
MACCS_164	O=C1OCC(C)O1	C108327
MACCS_164	Clc1nc(Cl)nc(Cl)n1	C108770
MACCS_164	Sc1ccccc1	C108985
MACCS_164	N1CCCCCC1	C111499
MACCS_164	O=Cc1ccc(OC)cc1	C123115
MACCS_164	Oc1ccc2ccccc2c1	C135193
MACCS_164	[O-]c1ccccc1.[Na+]	C139026
MACCS_164	Clc1ccc(C(F)(F)F)cc1Cl	C328847
MACCS_164	Brc1ccc(F)cc1	C460004
MACCS_164	C1=CC=CC1	C542927
MACCS_164	O=C1c2c(cccc2)C(=O)N1C	C550447
MACCS_164	CC1=CCC(=C(C)C)CC1	C586629
MACCS_164	O=C1NCCC1	C616455
MACCS_164	ClP(c1ccccc1)Cl	C644973
MACCS_164	OC(C)COc1ccccc1	C770354
MACCS_164	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
MACCS_164	Nc1cccc(C)c1C	C1300738
MACCS_164	O=S(=O)(c1ccccc1O)O	C1333397
MACCS_164	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
MACCS_164	Oc1cccc2c1OC(C)(C)C2	C1563388
MACCS_164	OC1CCCCCCCCCCC1	C1724396
MACCS_164	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
MACCS_164	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
MACCS_164	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
MACCS_164	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
MACCS_164	O=S(=O)(c1ccccc1)NCCCC	C3622842
MACCS_164	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
MACCS_164	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
MACCS_164	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
MACCS_164	OCc1cccc(Oc2ccccc2)c1	C13826352
MACCS_164	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
MACCS_164	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
MACCS_164	Nc1c(C)cccc1CC	C24549062
MACCS_164	Clc1cccc(C)c1	C25168052
MACCS_164	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
MACCS_164	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
MACCS_164	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
MACCS_164	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
MACCS_164	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
MACCS_164	BrCc1cccc(Oc2ccccc2)c1	C51632167
MACCS_164	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
MACCS_164	C1(CO1)COCCCCCCCCCCCC	C68609972
MACCS_164	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
MACCS_164	O=S(=O)(c1ccc(C)cc1)N	C70553
MACCS_164	Cc1cc(C)c(C)cc1C	C95932
MACCS_164	OCC1OCCC1	C97994
MACCS_164	O=C(c1ccc(O)cc1)C	C99934
MACCS_164	CN1CCOCC1	C109024
MACCS_164	O=C(OCc1ccccc1)c1ccccc1	C120514
MACCS_164	O=C1CCCC1	C120923
MACCS_164	CCCCCC(=Cc1ccccc1)C=O	C122407
MACCS_164	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
MACCS_164	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
MACCS_164	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
MACCS_164	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
MACCS_164	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
MACCS_164	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
MACCS_164	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
MACCS_164	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
MACCS_164	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
MACCS_164	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
MACCS_164	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
MACCS_164	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
MACCS_164	CC(=C)C1CC=C(C)CC1	C138863
MACCS_164	n1c[nH]cc1	C288324
MACCS_164	OC1CC(CCC1C(C)C)C	C1490046
MACCS_164	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
MACCS_164	Nc1cc(Cl)cc(Cl)c1	C626437
MACCS_164	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
MACCS_164	O=C1NC2NC(=O)NC2N1	C496468
MACCS_164	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
MACCS_164	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
MACCS_164	Oc1cc(C)c(Cl)c(C)c1	C88040
MACCS_164	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
MACCS_164	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
MACCS_164	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
MACCS_164	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
MACCS_164	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
MACCS_164	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
MACCS_164	CCN1CN(CC)CN(CC)C1	C7779273
MACCS_164	OCn1nc(C)cc1C	C85264331
MACCS_164	Clc1c(Cl)ssc1=O	C1192525
MACCS_164	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
MACCS_164	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
MACCS_164	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
MACCS_164	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
MACCS_164	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
MACCS_164	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
MACCS_164	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
MACCS_164	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
MACCS_164	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
MACCS_164	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
MACCS_164	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
MACCS_164	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
MACCS_164	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
MACCS_164	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
MACCS_164	OC1CCCC1	C96413
MACCS_164	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
MACCS_164	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
MACCS_164	CCCCCCCCCc1ccc(O)cc1	C104405
MACCS_164	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
MACCS_164	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
MACCS_164	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
MACCS_164	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
MACCS_164	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
MACCS_164	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
MACCS_164	O=C1OC(CCCCC)CC1	C104610
MACCS_164	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
MACCS_164	O=C(COc1ccc(Cl)cc1)O	C122883
MACCS_164	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
MACCS_164	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
MACCS_164	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
MACCS_164	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
MACCS_164	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
MACCS_164	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
MACCS_164	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
MACCS_164	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
MACCS_164	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
MACCS_164	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
MACCS_164	O=C(CBr)c1ccc(O)cc1	C2491385
MACCS_164	O=C(Cc1cccc2c1cccc2)OCC	C2122705
MACCS_164	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
MACCS_164	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
MACCS_164	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
MACCS_164	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
MACCS_164	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
MACCS_164	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
MACCS_164	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
MACCS_164	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
MACCS_164	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
MACCS_164	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
MACCS_164	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
MACCS_164	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
MACCS_164	Cc1ccc(C)c2c1cccc2	C571584
MACCS_164	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
MACCS_164	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
MACCS_164	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
MACCS_164	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
MACCS_164	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
MACCS_164	O=C1N(CCCCCCCC)CCC1	C2687947
MACCS_164	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
MACCS_164	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
MACCS_164	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
MACCS_164	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
MACCS_164	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
MACCS_164	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
MACCS_164	Clc1nc(N)nc(NC(C)C)n1	C6190654
MACCS_164	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
MACCS_164	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
MACCS_164	O=C(N(C)C)Nc1ccccc1	C101428
MACCS_164	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
MACCS_164	Oc1ccc(CCCCCCC)cc1	C1987504
MACCS_164	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
MACCS_164	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
MACCS_164	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
MACCS_164	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
MACCS_164	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
MACCS_164	Nc1ccc([N+](=O)[O-])cc1OC	C97529
MACCS_164	O=C(O)C1CCC(C(=O)O)CC1	C1076977
MACCS_164	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
MACCS_164	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
MACCS_164	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
MACCS_164	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
MACCS_164	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
MACCS_164	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
MACCS_164	O=C(O)c1ccccc1OCCCCCC	C6259763
MACCS_164	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
MACCS_164	O=C(c1ccccc1O)C	C118934
MACCS_164	O=C1OCC(CC)O1	C4437858
MACCS_164	O=C(CBr)OCc1ccccc1	C5437456
MACCS_164	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
MACCS_164	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
MACCS_164	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
MACCS_164	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
MACCS_164	CO[Si](OC)(OC)c1ccccc1	C2996921
MACCS_164	Nc1ccc(CCCCC)cc1	C33228443
MACCS_164	Nc1ccc(CCCCCC)cc1	C33228454
MACCS_164	O=C(OCC)c1c(C)cccc1	C87241
MACCS_164	OC1CCC(C(CC)(C)C)CC1	C5349519
MACCS_164	O=C1CCC(C2CCCCC2)CC1	C92682
MACCS_164	OC1CCC(C2CCCCC2)CC1	C2433149
MACCS_164	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
MACCS_164	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
MACCS_164	OC(C)(C)C1CC=C(C)CC1	C8000417
MACCS_164	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
MACCS_164	OCc1cnc(C)c(O)c1CO.Cl	C58560
MACCS_164	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
MACCS_164	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
MACCS_164	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
MACCS_164	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
MACCS_164	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
MACCS_164	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
MACCS_164	CC(C)C1=CCC(=CC1)C	C99854
MACCS_164	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
MACCS_164	CC1=CC=C(C(C)C)CC1	C99865
MACCS_164	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
MACCS_164	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
MACCS_164	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
MACCS_164	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
MACCS_164	O=C1C=CC(=O)N1c1ccccc1	C941695
MACCS_164	Oc1ccccc1CN(C)C	C120650
MACCS_164	O=C1CCC(O1)CC	C695067
MACCS_164	O=C1OC(CCCCCC)(C)CC1	C7011838
MACCS_164	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
MACCS_164	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
MACCS_164	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
MACCS_164	O=C1NC(=O)C(N1)(CC)C	C5394365
MACCS_164	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
MACCS_164	O=C(C)c1cc2ccccc2cc1	C93083
MACCS_164	O=C(Nc1ccccc1)CCl	C587655
MACCS_164	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
MACCS_164	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
MACCS_164	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
MACCS_164	O1C=CCCC1	C110872
MACCS_164	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
MACCS_164	OCC=Cc1ccccc1	C104541
MACCS_164	CCC(c1ccccc1)CCC	C4468422
MACCS_164	O=C(N)Nc1ccc(Cl)cc1	C140385
MACCS_164	O=c1ccoc(CC)c1O	C4940118
MACCS_164	NCCCN1CCOCC1	C123002
MACCS_164	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
MACCS_164	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
MACCS_164	O=C(C)OC(C)c1ccccc1	C93925
MACCS_164	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
MACCS_164	O=S(=O)(c1cc(C)ccc1C)O	C609541
MACCS_164	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
MACCS_164	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
MACCS_164	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
MACCS_164	N#Cc1c(O)cccc1	C611201
MACCS_164	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
MACCS_164	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
MACCS_164	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
MACCS_164	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
MACCS_164	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
MACCS_164	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
MACCS_164	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
MACCS_164	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
MACCS_164	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
MACCS_164	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
MACCS_164	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
MACCS_164	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
MACCS_164	OC1CC(C)(C)CC(C)C1	C116029
MACCS_164	O=C1C(C(CC)C)CCCC1	C14765301
MACCS_164	O=C(C)OC(C)(C)Cc1ccccc1	C151053
MACCS_164	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
MACCS_164	c1(Cc2ccccc2)ccccc1	C101815
MACCS_164	OC1C2(C)CCC(C1(C)C)C2	C1632731
MACCS_164	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
MACCS_164	c12ccccc1CC=C2	C95136
MACCS_164	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
MACCS_164	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
MACCS_164	Oc1cc(C(C)C)ccc1C	C499752
MACCS_164	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
MACCS_164	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
MACCS_164	c1([Hg]c2ccccc2)ccccc1	C587859
MACCS_164	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
MACCS_164	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
MACCS_164	CCCCCCCCCCCCN1CCOCC1	C1541817
MACCS_164	CC(C)N(C(C)C)c1ccccc1	C4107986
MACCS_164	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
MACCS_164	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
MACCS_164	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
MACCS_164	Oc1c(OCC)cccc1	C94713
MACCS_164	Oc1ccc(C(C)C)cc1	C99898
MACCS_164	COc1ccc(CCC)cc1	C104450
MACCS_164	c1(CCCc2ccccc2)ccccn1	C2110181
MACCS_164	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
MACCS_164	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
MACCS_164	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
MACCS_164	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
MACCS_164	OC(CO)c1ccccc1	C93561
MACCS_164	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
MACCS_164	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
MACCS_164	O=C(N)Nc1ccccc1	C64108
MACCS_164	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
MACCS_164	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
MACCS_164	Oc1c(C(C)C)cccc1	C88697
MACCS_164	O=C1CCC(C(C)(C)C)CC1	C98533
MACCS_164	O=C(c1ccccc1)Cc1ccccc1	C451401
MACCS_164	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
MACCS_164	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
MACCS_164	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
MACCS_164	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
MACCS_164	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
MACCS_164	Oc1cc(C(C)C)ccc1	C618451
MACCS_164	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
MACCS_164	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
MACCS_164	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
MACCS_164	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
MACCS_164	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
MACCS_164	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
MACCS_164	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
MACCS_164	Oc1cc(C(C)(C)C)ccc1	C585342
MACCS_164	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
MACCS_164	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
MACCS_164	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
MACCS_164	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
MACCS_164	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
MACCS_164	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
MACCS_164	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
MACCS_164	O=C1CCC(C(CC)(C)C)CC1	C16587716
MACCS_164	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
MACCS_164	O=C(c1ccccc1)OCCC(C)C	C94462
MACCS_164	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
MACCS_164	Oc1ccc(CCCC)cc1	C1638228
MACCS_164	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
MACCS_164	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
MACCS_164	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
MACCS_164	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
MACCS_164	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
MACCS_164	O=C(OCCc1ccccc1)c1ccccc1	C94473
MACCS_164	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
MACCS_164	O=C1OC(CCC)CC1	C105215
MACCS_164	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
MACCS_164	c12ccccc1c1c(cccc1)s2	C132650
MACCS_164	O=C(c1ccccc1)c1ccccc1O	C117997
MACCS_164	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
MACCS_164	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
MACCS_164	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
MACCS_164	Nc1ccc(CCC)cc1	C2696846
MACCS_164	Nc1ccc(C(C)(C)C)cc1	C769926
MACCS_164	O=C(C1CCCCC1)c1ccccc1	C712505
MACCS_164	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
MACCS_164	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
MACCS_164	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
MACCS_164	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
MACCS_164	CC(C1CCC(CC1)OC)(CC)C	C199584388
MACCS_164	Sc1ccc(C)cc1	C106456
MACCS_164	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
MACCS_164	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
MACCS_164	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
MACCS_164	Clc1ccc(CCCC)cc1	C15499271
MACCS_164	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
MACCS_164	O=C(CCCCCC)c1ccccc1	C1671756
MACCS_164	Oc1ccc(OCCCCCC)cc1	C18979550
MACCS_164	Sc1ccc(C(C)(C)C)cc1	C2396681
MACCS_164	O=C1CCC(CCC)CC1	C40649363
MACCS_164	Nc1ccc(cc1)OCCCC	C4344552
MACCS_164	O=C(O)c1c(C)cc(C)cc1C	C480637
MACCS_164	O=C(c1ccccc1)C1CCC1	C5407987
MACCS_164	O=C(c1ccccc1)C(C)C	C611701
MACCS_164	O=C(c1ccc(Cl)cc1)CC	C6285058
MACCS_164	OC1CCC(CCCC)CC1	C70568604
MACCS_164	Clc1ccc(CCCCC)cc1	C79098207
MACCS_164	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
MACCS_164	O=C(OC)c1c(C)cccc1	C89714
MACCS_164	O=C(c1ccccc1)C(C)(C)C	C938169
MACCS_164	O=C(Oc1ccccc1)c1ccccc1	C93992
MACCS_164	O=C(OCC)c1ccc(C)cc1	C94086
MACCS_164	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
MACCS_164	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
MACCS_164	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
MACCS_164	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
MACCS_164	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
MACCS_164	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
MACCS_164	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
MACCS_164	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
MACCS_164	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
MACCS_164	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
MACCS_164	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
MACCS_164	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
MACCS_164	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
MACCS_164	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
MACCS_164	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
MACCS_164	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
MACCS_164	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
MACCS_164	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
MACCS_164	S=C1NCCN1	C96457
MACCS_164	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
MACCS_164	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
MACCS_164	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
MACCS_164	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
MACCS_164	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
MACCS_164	O=c1ccc(=O)[nH][nH]1	C123331
MACCS_164	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
MACCS_164	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
MACCS_164	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
MACCS_164	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
MACCS_164	Oc1c(cccc1)c1ccccc1	C90437
MACCS_164	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
MACCS_164	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
MACCS_164	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
MACCS_164	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
MACCS_164	Clc1nc(nc(n1)NCC)NCC	C122349
MACCS_164	[nH]1c(nc2c1cccc2)c1cscn1	C148798
MACCS_164	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
MACCS_164	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
MACCS_164	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
MACCS_164	CC(C)Oc1ccccc1OC(=O)NC	C114261
MACCS_164	c1ccccc1Nc1ccccc1	C122394
MACCS_164	c1ccccc1OCCO	C122996
MACCS_164	CCN(CC)C(=O)c1cccc(C)c1	C134623
MACCS_164	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
MACCS_164	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
MACCS_164	c1c(Br)c(O)c(Br)cc1C#N	C1689845
MACCS_164	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
MACCS_164	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
MACCS_164	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
MACCS_164	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
MACCS_164	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
MACCS_164	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
MACCS_164	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
MACCS_164	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
MACCS_164	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
MACCS_164	CSc1nc(NCC)nc(NC(C)C)n1	C834128
MACCS_164	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
MACCS_164	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
MACCS_164	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
MACCS_164	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
MACCS_164	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
MACCS_164	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
MACCS_164	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
MACCS_164	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
MACCS_164	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
MACCS_164	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
MACCS_164	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
MACCS_164	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
MACCS_164	Nc1nc(N)nc(NC2CC2)n1	C66215278
MACCS_164	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
MACCS_164	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
MACCS_164	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
MACCS_164	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
MACCS_164	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
MACCS_164	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
MACCS_164	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
MACCS_164	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
MACCS_164	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
MACCS_164	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
MACCS_164	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
MACCS_164	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
MACCS_164	[Cl-].C[N+]1(C)CCCCC1	C24307264
MACCS_164	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
MACCS_164	O=C(O)COc1c(C)cc(Cl)cc1	C94746
MACCS_164	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
MACCS_164	O=C(SCC)N1CCCCCC1	C2212671
MACCS_164	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
MACCS_164	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
MACCS_164	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
MACCS_164	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
MACCS_164	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
MACCS_164	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
MACCS_164	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
MACCS_164	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
MACCS_164	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
MACCS_164	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
MACCS_164	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
MACCS_164	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
MACCS_164	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
MACCS_164	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
MACCS_164	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
MACCS_164	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
MACCS_164	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
MACCS_164	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
MACCS_164	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
MACCS_164	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
MACCS_164	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
MACCS_164	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
MACCS_164	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
MACCS_164	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
MACCS_164	CN1CN(C)CSC1=S	C533744
MACCS_164	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
MACCS_164	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
MACCS_164	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
MACCS_164	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
MACCS_164	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
MACCS_164	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
MACCS_164	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
MACCS_164	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
MACCS_164	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
MACCS_164	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
MACCS_164	O=C(N(CC)C1CCCCC1)SCC	C1134232
MACCS_164	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
MACCS_164	N#Cc1c(Cl)cccc1Cl	C1194656
MACCS_164	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
MACCS_164	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
MACCS_164	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
MACCS_164	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
MACCS_164	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
MACCS_164	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
MACCS_164	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
MACCS_164	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
MACCS_164	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
MACCS_164	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
MACCS_164	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
MACCS_164	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
MACCS_164	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
MACCS_164	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
MACCS_164	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
MACCS_164	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
MACCS_164	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
MACCS_164	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
MACCS_164	O=C(SC)c1cccc2c1snn2	C135158542
MACCS_164	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
MACCS_164	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
MACCS_164	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
MACCS_164	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
MACCS_164	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
MACCS_164	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
MACCS_164	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
MACCS_164	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
MACCS_164	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
MACCS_164	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
MACCS_164	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
MACCS_164	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
MACCS_164	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
MACCS_164	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
MACCS_164	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
MACCS_164	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
MACCS_164	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
MACCS_164	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
MACCS_164	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
MACCS_164	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
MACCS_164	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
MACCS_164	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
MACCS_164	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
MACCS_164	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
MACCS_164	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
MACCS_164	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
MACCS_164	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
MACCS_164	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
MACCS_164	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
MACCS_164	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
MACCS_164	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
MACCS_164	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
MACCS_164	N#CSCSc1nc2ccccc2s1	C21564170
MACCS_164	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
MACCS_164	O=C(Nc1ccccc1)Nc1cnns1	C51707552
MACCS_164	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
MACCS_164	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
MACCS_164	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
MACCS_164	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
MACCS_164	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
MACCS_164	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
MACCS_164	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
MACCS_164	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
MACCS_164	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
MACCS_164	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
MACCS_164	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
MACCS_164	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
MACCS_164	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
MACCS_164	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
MACCS_164	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
MACCS_164	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
MACCS_164	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
MACCS_164	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
MACCS_164	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
MACCS_164	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
MACCS_164	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
MACCS_164	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
MACCS_164	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
MACCS_164	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
MACCS_164	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
MACCS_164	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
MACCS_164	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
MACCS_164	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
MACCS_164	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
MACCS_164	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
MACCS_164	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
MACCS_164	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
MACCS_164	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
MACCS_164	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
MACCS_164	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
MACCS_164	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
MACCS_164	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
MACCS_164	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
MACCS_164	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
MACCS_164	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
MACCS_164	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
MACCS_164	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
MACCS_164	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
MACCS_164	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
MACCS_164	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
MACCS_164	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
MACCS_164	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
MACCS_164	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
MACCS_164	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
MACCS_164	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
MACCS_164	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
MACCS_164	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
MACCS_164	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
MACCS_164	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
MACCS_164	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
MACCS_164	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
MACCS_164	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
MACCS_164	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
MACCS_164	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
MACCS_164	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
MACCS_164	Clc1nc(NCC)nc(N)n1	C1007289
MACCS_164	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
MACCS_164	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
MACCS_164	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
MACCS_164	O=C(OC)c1ccccc1C(=O)O	C4376185
MACCS_164	O=C(OCCCC)c1ccccc1C(=O)O	C131704
MACCS_164	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
MACCS_164	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
MACCS_164	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
MACCS_164	c1(ccc(cc1)O)NC(=O)C	C103902
MACCS_164	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
MACCS_164	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
MACCS_164	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
MACCS_164	C/C=C/c1ccc(cc1)OC	C4180238
MACCS_164	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
MACCS_164	OC(=O)c1c(cccc1)OC(=O)C	C50782
MACCS_164	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
MACCS_164	c1(N=Nc2ccccc2)ccccc1	C103333
MACCS_164	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
MACCS_164	Nc1ccc(c2ccc(N)cc2)cc1	C92875
MACCS_164	c1(ccccc1)C(=O)[O-].[Na+]	C532321
MACCS_164	c1coc2c1cccc2	C271896
MACCS_164	OC(=O)c1ccccc1	C65850
MACCS_164	ClC(c1ccccc1)(Cl)Cl	C98077
MACCS_164	OCc1ccccc1	C100516
MACCS_164	c1c(cccc1)c1ccccc1	C92524
MACCS_164	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
MACCS_164	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
MACCS_164	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
MACCS_164	CC(C)(C)c1cc(O)ccc1O	C1948330
MACCS_164	C(c1ccc(O)cc1)(C)(C)C	C98544
MACCS_164	O=C1CCCO1	C96480
MACCS_164	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
MACCS_164	O=C1CCCCCN1	C105602
MACCS_164	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
MACCS_164	Oc1c(cccc1)O	C120809
MACCS_164	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
MACCS_164	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
MACCS_164	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
MACCS_164	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
MACCS_164	Nc1c(ccc(c1)Cl)N	C95830
MACCS_164	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
MACCS_164	O=C(c1ccccc1)CCl	C532274
MACCS_164	Nc1ccc(cc1)Cl	C106478
MACCS_164	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
MACCS_164	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
MACCS_164	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
MACCS_164	O=c1oc2c(cccc2)cc1	C91645
MACCS_164	Nc1cc(ccc1OC)C	C120718
MACCS_164	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
MACCS_164	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
MACCS_164	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
MACCS_164	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
MACCS_164	Nc1c(ccc(c1)N)C	C95807
MACCS_164	Clc1c(cccc1)Cl	C95501
MACCS_164	Clc1ccc(cc1)Cl	C106467
MACCS_164	Clc1c(ccc(c1)Cl)O	C120832
MACCS_164	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
MACCS_164	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
MACCS_164	CC1CC(OC(O1)C)OC(=O)C	C828002
MACCS_164	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
MACCS_164	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
MACCS_164	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
MACCS_164	CN(c1ccccc1)C	C121697
MACCS_164	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
MACCS_164	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
MACCS_164	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
MACCS_164	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
MACCS_164	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
MACCS_164	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
MACCS_164	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
MACCS_164	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
MACCS_164	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
MACCS_164	O1C2C1CCC(C2)C1CO1	C106876
MACCS_164	Oc1c(cc(cc1)CC=C)OC	C97530
MACCS_164	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
MACCS_164	O=c1c(c[nH]c(=O)[nH]1)F	C51218
MACCS_164	O=Cc1ccco1	C98011
MACCS_164	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
MACCS_164	OCC1CO1	C556525
MACCS_164	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
MACCS_164	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
MACCS_164	C1N2CN3CN(C2)CN1C3	C100970
MACCS_164	Oc1c(ccc(c1)O)CCCCCC	C136776
MACCS_164	N(c1ccccc1)Nc1ccccc1	C122667
MACCS_164	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
MACCS_164	Oc1ccc(cc1)O	C123319
MACCS_164	Oc1cccc2cccnc12	C148243
MACCS_164	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
MACCS_164	O=C(c1ccncc1)NN	C54853
MACCS_164	CC1(CC(=CC(=O)C1)C)C	C78591
MACCS_164	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
MACCS_164	Sc1nc2c(cccc2)s1	C149304
MACCS_164	[nH]1c(=S)n(cc1)C	C60560
MACCS_164	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
MACCS_164	O=C1N(CCC1)C	C872504
MACCS_164	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
MACCS_164	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
MACCS_164	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
MACCS_164	Cc1c2c(ccc1)cccc2	C90120
MACCS_164	Cc1cc2cccnc2cc1	C91623
MACCS_164	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
MACCS_164	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
MACCS_164	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
MACCS_164	c1c2c(ccc1)cccc2	C91203
MACCS_164	Nc1c2c(ccc1)c(ccc2)N	C2243621
MACCS_164	Nc1cc2c(cccc2)cc1	C91598
MACCS_164	CN1CCC[C@H]1c1cnccc1	C54115
MACCS_164	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
MACCS_164	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
MACCS_164	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
MACCS_164	O=[N+](c1ccc(cc1)N)[O-]	C100016
MACCS_164	O=[N+](c1ccccc1)[O-]	C98953
MACCS_164	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
MACCS_164	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
MACCS_164	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
MACCS_164	O=NN(c1ccccc1)c1ccccc1	C86306
MACCS_164	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
MACCS_164	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
MACCS_164	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
MACCS_164	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
MACCS_164	Oc1ccccc1	C108952
MACCS_164	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
MACCS_164	N1c2c(cccc2)Sc2ccccc12	C92842
MACCS_164	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
MACCS_164	Nc1cc(ccc1)N	C108452
MACCS_164	CC(=O)O[Hg]c1ccccc1	C62384
MACCS_164	C1CNCCN1	C110850
MACCS_164	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
MACCS_164	O=S1(=O)CCCO1	C1120714
MACCS_164	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
MACCS_164	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
MACCS_164	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
MACCS_164	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
MACCS_164	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
MACCS_164	Oc1cc(ccc1)O	C108463
MACCS_164	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
MACCS_164	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
MACCS_164	C=CCc1ccc2c(c1)OCO2	C94597
MACCS_164	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
MACCS_164	C1C(c2ccccc2)O1	C96093
MACCS_164	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
MACCS_164	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
MACCS_164	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
MACCS_164	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
MACCS_164	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
MACCS_164	Oc1c(cc(cc1Cl)Cl)Cl	C88062
MACCS_164	Cc1c(ccc(c1)C)C	C95636
MACCS_164	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
MACCS_164	O=C1N(C=C)CCC1	C88120
MACCS_164	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
MACCS_164	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
MACCS_164	OC(=O)c1cc(C(=O)O)ccc1	C121915
MACCS_164	Oc1ccccc1Cl	C95578
MACCS_164	Oc1cc(C)c(Cl)cc1	C59507
MACCS_164	CC1(C)NC(=O)NC1=O	C77714
MACCS_164	C(c1ccc(cc1)O)(CC)(C)C	C80466
MACCS_164	c1ccc2cccc3c2c1CC3	C83329
MACCS_164	CCOC(=O)c1ccccc1C(=O)OCC	C84662
MACCS_164	n1cccc2c1cccc2	C91225
MACCS_164	CCN(CC)c1ccccc1	C91667
MACCS_164	Oc1c(C)cccc1	C95487
MACCS_164	c1ccccc1C(=O)C	C98862
MACCS_164	Cc1cc([N+](=O)[O-])ccc1	C99081
MACCS_164	CN(C)c1ccc(C)cc1	C99978
MACCS_164	Oc1ccc([N+](=O)[O-])cc1	C100027
MACCS_164	CCNc1cc(C)ccc1	C102272
MACCS_164	Oc1c(C)cc(C)cc1	C105679
MACCS_164	Oc1ccc(C)cc1	C106445
MACCS_164	Nc1ccc(C)cc1	C106490
MACCS_164	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
MACCS_164	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
MACCS_164	c1ccccc1C(=O)c1ccccc1	C119619
MACCS_164	Clc1c(Cl)cc(Cl)cc1	C120821
MACCS_164	c1(C=O)cc(OC)c(O)cc1	C121335
MACCS_164	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
MACCS_164	c1cccc2c3ccccc3oc12	C132649
MACCS_164	Oc1c(C)cc(C)cc1C	C527606
MACCS_164	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
MACCS_164	Clc1cc(Cl)ccc1	C541731
MACCS_164	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
MACCS_164	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
MACCS_164	Oc1c(C)c(C)ccc1C	C2416946
MACCS_164	Oc1ccc(CCCCCCCC)cc1	C1806264
MACCS_164	c1(c(O)cccc1)C(CC)C	C89725
MACCS_164	c1(ccc(cc1)O)C(CC)C	C99718
MACCS_164	Oc1ccc(C=CC)cc1OC	C97541
MACCS_164	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
MACCS_164	c1(CCCC)ccccc1	C104518
MACCS_164	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
MACCS_164	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
MACCS_164	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
MACCS_164	C(=O)(c1ccc(cc1)O)OCCC	C94133
MACCS_164	C(=O)(c1ccc(cc1)O)OC	C99763
MACCS_164	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
MACCS_164	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
MACCS_164	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
MACCS_164	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
MACCS_164	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
MACCS_164	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
MACCS_164	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
MACCS_164	c1(C)c(O)c(CO)c(CO)cn1	C65236
MACCS_164	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
MACCS_164	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
MACCS_164	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
MACCS_164	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
MACCS_164	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
MACCS_164	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
MACCS_164	O=N(=O)c1ccc(C)cc1	C99990
MACCS_164	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
MACCS_164	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
MACCS_164	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
MACCS_164	c1cc2cccc3C=Cc(c1)c23	C208968
MACCS_164	Nc1c(OC)cccc1	C90040
MACCS_164	c1ccc2cc3ccccc3cc2c1	C120127
MACCS_164	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
MACCS_164	Brc1ccc(Oc2ccccc2)cc1	C101553
MACCS_164	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
MACCS_164	Cc1ccccc1Cl	C95498
MACCS_164	NC1CCCCC1	C108918
MACCS_164	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
MACCS_164	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
MACCS_164	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
MACCS_164	Oc1cc(C)c(C)cc1	C95658
MACCS_164	Oc1c(cccc1C)C	C576261
MACCS_164	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
MACCS_164	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
MACCS_164	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
MACCS_164	c1cccc2c1c1cccc3cccc2c13	C206440
MACCS_164	c1cccc2Cc3ccccc3c12	C86737
MACCS_164	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
MACCS_164	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
MACCS_164	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
MACCS_164	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
MACCS_164	c1cc2c(cc1)c1c(cccc1)cc2	C85018
MACCS_164	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
MACCS_164	c12cccc3c1c1c(cccc1cc3)cc2	C129000
MACCS_164	Clc1cc(Cl)c(Cl)cc1Cl	C95943
MACCS_164	Clc1c(O)cc(Cl)c(Cl)c1	C95954
MACCS_164	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
MACCS_164	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
MACCS_164	O=C(O)c1ccc(N)cc1	C150130
MACCS_164	Oc1c(ccc(N)c1)C	C2835952
MACCS_164	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
MACCS_164	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
MACCS_164	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
MACCS_164	Cc1ccc(Cl)cc1	C106434
MACCS_164	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
MACCS_164	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
MACCS_164	O(O)C(c1ccccc1)(C)C	C80159
MACCS_164	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
MACCS_164	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
MACCS_164	Nc1cc(C)ccc1N	C496720
MACCS_164	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
MACCS_164	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
MACCS_164	c1(ccccc1)C(Cl)Cl	C98873
MACCS_164	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
MACCS_164	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
MACCS_164	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
MACCS_164	Cc1cccc(c1C)[N+](=O)[O-]	C83410
MACCS_164	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
MACCS_164	Oc1c(ccc(C)c1)C	C95874
MACCS_164	N=C(Nc1ccccc1)Nc1ccccc1	C102067
MACCS_164	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
MACCS_164	N(c1ccccc1)CC	C103695
MACCS_164	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
MACCS_164	o1c(C)c(O)c(=O)cc1	C118718
MACCS_164	O=C(OC)c1c(N)cccc1	C134203
MACCS_164	O(C)c1cc(CC=C)ccc1OC	C93152
MACCS_164	O=C(OC)c1c(O)cccc1	C119368
MACCS_164	[N+](=O)([O-])c1ccccc1C	C88722
MACCS_164	O=c1ccsn1CCCCCCCC	C26530201
MACCS_164	Nc1c(N)cccc1	C95545
MACCS_164	N(c1ccccc1)c1ccc(N)cc1	C101542
MACCS_164	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
MACCS_164	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
MACCS_164	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
MACCS_164	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
MACCS_164	O=C=Nc1cc(N=C=O)ccc1C	C584849
MACCS_164	Nc1c(cccc1)C	C95534
MACCS_164	Clc1c(Cl)cccc1Cl	C87616
MACCS_164	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
MACCS_164	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
MACCS_164	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
MACCS_164	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
MACCS_164	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
MACCS_164	Nc1c(cccc1C)C	C87627
MACCS_164	Oc1c(C(C)(C)C)cccc1	C88186
MACCS_164	Oc1c(C(C)(C)C)ccc(C)c1	C88608
MACCS_164	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
MACCS_164	CC(C)c1cccc(C(C)C)c1	C99627
MACCS_164	CC(C)c1ccc(C)cc1	C99876
MACCS_164	N#Cc1cnccc1	C100549
MACCS_164	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
MACCS_164	Nc1cccc(C)c1	C108441
MACCS_164	Cc1cc(C)cc(C)c1	C108678
MACCS_164	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
MACCS_164	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
MACCS_164	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
MACCS_164	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
MACCS_164	[nH]1ncnc1	C288880
MACCS_164	c1(c2ccncc2)ccncc1	C553264
MACCS_164	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
MACCS_164	Nc1c(CC)cccc1CC	C579668
MACCS_164	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
MACCS_164	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
MACCS_164	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
MACCS_164	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
MACCS_164	Nc1cccc(C)c1N	C2687254
MACCS_164	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
MACCS_164	C1=CCCC=CCCC=CCC1	C4904614
MACCS_164	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
MACCS_164	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
MACCS_164	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
MACCS_164	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
MACCS_164	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
MACCS_164	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
MACCS_164	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
MACCS_164	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
MACCS_164	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
MACCS_164	CCC12N(COC1)COC2	C7747355
MACCS_164	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
MACCS_164	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
MACCS_164	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
MACCS_164	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
MACCS_164	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
MACCS_164	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
MACCS_164	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
MACCS_164	O=Cc1ccccc1C=O	C643798
MACCS_164	O=c1[nH]sc2c1cccc2	C2634335
MACCS_164	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
MACCS_164	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
MACCS_164	Nn1cnnc1	C584134
MACCS_164	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
MACCS_164	O=c1n(C)sc(Cl)c1	C26172554
MACCS_164	O=C1CCC(O1)CCCCCCC	C104676
MACCS_164	Oc1cc(C)ccc1C(C)C	C89838
MACCS_164	O=C1NC(=O)C(N1CO)(C)C	C116256
MACCS_164	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
MACCS_164	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
MACCS_164	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
MACCS_164	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
MACCS_164	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
MACCS_164	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
MACCS_164	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
MACCS_164	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
MACCS_164	O=C(OCCCC)c1ccccc1	C136607
MACCS_164	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
MACCS_164	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
MACCS_164	Oc1ccc(cc1C(C)(C)C)OC	C121006
MACCS_164	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
MACCS_164	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
MACCS_164	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
MACCS_164	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
MACCS_164	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
MACCS_164	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
MACCS_164	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
MACCS_164	CCCc1ccccc1	C103651
MACCS_164	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
MACCS_164	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
MACCS_164	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
MACCS_164	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
MACCS_164	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
MACCS_164	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
MACCS_164	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
MACCS_164	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
MACCS_164	CC(C)(C)c1ccccc1	C98066
MACCS_164	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
MACCS_164	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
MACCS_164	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
MACCS_164	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
MACCS_164	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
MACCS_164	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
MACCS_164	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
MACCS_164	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
MACCS_164	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
MACCS_164	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
MACCS_164	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
MACCS_164	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
MACCS_164	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
MACCS_164	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
MACCS_164	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
MACCS_164	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
MACCS_164	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
MACCS_164	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
MACCS_164	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
MACCS_164	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
MACCS_164	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
MACCS_164	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
MACCS_164	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
MACCS_164	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
MACCS_164	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
MACCS_164	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
MACCS_164	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
MACCS_164	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
MACCS_164	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
MACCS_164	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
MACCS_164	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
MACCS_164	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
MACCS_164	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
MACCS_164	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
MACCS_164	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
MACCS_164	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
MACCS_164	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
MACCS_164	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
MACCS_164	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
MACCS_164	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
MACCS_164	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
MACCS_164	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
MACCS_164	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
MACCS_164	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
MACCS_164	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
MACCS_164	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
MACCS_164	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
MACCS_164	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
MACCS_164	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
MACCS_164	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
MACCS_164	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
MACCS_164	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
MACCS_164	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
MACCS_164	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
MACCS_164	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
MACCS_164	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
MACCS_164	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
MACCS_164	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
MACCS_164	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
MACCS_164	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
MACCS_164	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
MACCS_164	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
MACCS_164	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
MACCS_164	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
MACCS_164	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
MACCS_164	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
MACCS_164	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
MACCS_164	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
MACCS_164	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
MACCS_164	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
MACCS_164	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
MACCS_164	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
MACCS_164	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
MACCS_164	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
MACCS_164	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
MACCS_164	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
MACCS_164	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
MACCS_164	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
MACCS_164	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
MACCS_164	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
MACCS_164	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
MACCS_164	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
MACCS_164	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
MACCS_164	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
MACCS_164	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
MACCS_164	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
MACCS_164	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
MACCS_164	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
MACCS_164	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
MACCS_164	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
MACCS_164	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
MACCS_164	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
MACCS_164	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
MACCS_164	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
MACCS_164	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
MACCS_164	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
MACCS_164	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
MACCS_164	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
MACCS_164	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
MACCS_164	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
MACCS_164	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
MACCS_164	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
MACCS_164	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
MACCS_164	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
MACCS_164	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
MACCS_164	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
MACCS_164	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
MACCS_164	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
MACCS_164	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
MACCS_164	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
MACCS_164	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
MACCS_164	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
MACCS_164	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
MACCS_164	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
MACCS_164	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
MACCS_164	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
MACCS_164	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
MACCS_164	Oc1cc2c(cc1)Cc1ccccc21	C6344678
MACCS_164	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
MACCS_164	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
MACCS_164	Oc1cc2c(cccc2)c2ccccc12	C484173
MACCS_164	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
MACCS_164	C1(CCCCC1)SSC1CCCCC1	C2550405
MACCS_164	CCCCCCCCCCCCc1ccccc1	C123013
MACCS_164	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
MACCS_164	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
MACCS_164	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
MACCS_164	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
MACCS_164	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
MACCS_164	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
MACCS_164	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
MACCS_164	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
MACCS_164	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
MACCS_164	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
MACCS_164	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
MACCS_164	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
MACCS_164	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
MACCS_164	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
MACCS_164	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
MACCS_164	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
MACCS_164	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
MACCS_164	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
MACCS_164	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
MACCS_164	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
MACCS_164	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
MACCS_164	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
MACCS_164	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
MACCS_164	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
MACCS_164	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
MACCS_164	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
MACCS_164	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
MACCS_164	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
MACCS_164	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
MACCS_164	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
MACCS_164	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
MACCS_164	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
MACCS_164	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
MACCS_164	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
MACCS_164	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
MACCS_164	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
MACCS_164	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
MACCS_164	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
MACCS_164	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
MACCS_164	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
MACCS_164	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
MACCS_164	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
MACCS_164	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
MACCS_164	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
MACCS_164	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
MACCS_164	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
MACCS_164	O=C(OCC)c1ccccc1	C93890
MACCS_164	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
MACCS_164	NCc1cccc(CN)c1	C1477550
MACCS_164	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
MACCS_164	CC1(C)C2C(=CCC1C2)C	C80568
MACCS_164	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
MACCS_164	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
MACCS_164	n1cc(C)ccc1	C108996
MACCS_164	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
MACCS_164	CCC1CO1	C106887
MACCS_164	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
MACCS_164	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
MACCS_164	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
MACCS_164	O=[N+](c1cnc(s1)N)[O-]	C121664
MACCS_164	Nc1nc(nc(n1)N)c1ccccc1	C91769
MACCS_164	CC1CC(=O)O1	C3068880
MACCS_164	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
MACCS_164	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
MACCS_164	Clc1ccc(N)cc1.Cl	C20265967
MACCS_164	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
MACCS_164	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
MACCS_164	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
MACCS_164	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
MACCS_164	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
MACCS_164	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
MACCS_164	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
MACCS_164	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
MACCS_164	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
MACCS_164	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
MACCS_164	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
MACCS_164	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
MACCS_164	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
MACCS_164	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
MACCS_164	NNc1ccccc1.Cl	C59881
MACCS_164	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
MACCS_164	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
MACCS_164	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
MACCS_164	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
MACCS_164	S=P(N1CC1)(N1CC1)N1CC1	C52244
MACCS_164	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
MACCS_164	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
MACCS_164	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
MACCS_164	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
MACCS_164	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
MACCS_164	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
MACCS_164	N#Cc1ccccc1	C100470
MACCS_164	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
MACCS_164	CC(c1ccc(CO)cc1)C	C536607
MACCS_164	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
MACCS_164	c1ccccc1NC(=O)c1c(O)cccc1	C87172
MACCS_164	CN(C)c1ccc(C=O)cc1	C100107
MACCS_164	Nc1ccc(Br)cc1	C106401
MACCS_164	c1ccccc1Oc1ccc(O)cc1	C831823
MACCS_164	c1c(I)c(O)c(I)cc1C#N	C1689834
MACCS_164	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
MACCS_164	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
MACCS_164	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
MACCS_164	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
MACCS_164	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
MACCS_164	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
MACCS_164	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
MACCS_164	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
MACCS_164	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
MACCS_164	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
MACCS_164	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
MACCS_164	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
MACCS_164	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
MACCS_164	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
MACCS_164	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
MACCS_164	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
MACCS_164	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
MACCS_164	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
MACCS_164	N(=C=NC1CCCCC1)C1CCCCC1	C538750
MACCS_164	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
MACCS_164	Nc1ccc2cc3ccccc3cc2c1	C613138
MACCS_164	Nc1ccc(OC)cc1	C104949
MACCS_164	c12ccccc1ccc1c2cccn1	C85029
MACCS_164	Brc1ccccc1c1ccccc1	C2052075
MACCS_164	Oc1c(O)cc(cc1)C(C)(C)C	C98293
MACCS_164	C(=O)(O)c1ccc(Cl)cc1	C74113
MACCS_164	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
MACCS_164	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
MACCS_164	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
MACCS_164	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
MACCS_164	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
MACCS_164	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
MACCS_164	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
MACCS_164	CCCCCc1cc(O)cc(O)c1	C500663
MACCS_164	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
MACCS_164	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
MACCS_164	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
MACCS_164	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
MACCS_164	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
MACCS_164	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
MACCS_164	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
MACCS_164	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
MACCS_164	O=C(O)c1cc2c(cc1O)cccc2	C92706
MACCS_164	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
MACCS_164	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
MACCS_164	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
MACCS_164	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
MACCS_164	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
MACCS_164	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
MACCS_164	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
MACCS_164	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
MACCS_164	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
MACCS_164	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
MACCS_164	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
MACCS_164	OCc1c[nH]c2c1cccc2	C700061
MACCS_164	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
MACCS_164	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
MACCS_164	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
MACCS_164	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
MACCS_164	O=c1cc(C)o[nH]1	C10004441
MACCS_164	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
MACCS_164	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
MACCS_164	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
MACCS_164	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
MACCS_164	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
MACCS_164	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
MACCS_164	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
MACCS_164	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
MACCS_164	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
MACCS_164	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
MACCS_164	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
MACCS_164	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
MACCS_164	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
MACCS_164	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
MACCS_164	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
MACCS_164	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
MACCS_164	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
MACCS_164	Oc1ccc(cc1)Nc1ccccc1	C122372
MACCS_164	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
MACCS_164	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
MACCS_164	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
MACCS_164	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
MACCS_164	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
MACCS_164	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
MACCS_164	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
MACCS_164	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
MACCS_164	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
MACCS_164	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
MACCS_164	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
MACCS_164	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
MACCS_164	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
MACCS_164	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
MACCS_164	O=C(O)c1ccc([Hg]Cl)cc1	C59858
MACCS_164	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
MACCS_164	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
MACCS_164	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
MACCS_164	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
MACCS_164	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
MACCS_164	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
MACCS_164	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
MACCS_164	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
MACCS_164	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
MACCS_164	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
MACCS_164	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
MACCS_164	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
MACCS_164	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
MACCS_164	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
MACCS_164	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
MACCS_164	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
MACCS_164	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
MACCS_164	O=C1CC(C)(C)NC(C)(C)C1	C826368
MACCS_164	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
MACCS_164	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
MACCS_164	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
MACCS_164	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
MACCS_164	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
MACCS_164	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
MACCS_164	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
MACCS_164	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
MACCS_164	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
MACCS_164	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
MACCS_164	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
MACCS_164	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
MACCS_164	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
MACCS_164	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
MACCS_164	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
MACCS_164	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
MACCS_164	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
MACCS_164	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
MACCS_164	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
MACCS_164	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
MACCS_164	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
MACCS_164	Cl[Hg]c1ccccc1	C100561
MACCS_164	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
MACCS_164	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
MACCS_164	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
MACCS_164	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
MACCS_164	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
MACCS_164	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
MACCS_164	O=[As]c1ccccc1	C637036
MACCS_164	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
MACCS_164	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
MACCS_164	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
MACCS_164	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
MACCS_164	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
MACCS_164	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
MACCS_164	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
MACCS_164	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
MACCS_164	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
MACCS_164	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
MACCS_164	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
MACCS_164	O=CN1CCCCC1	C2591868
MACCS_164	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
MACCS_164	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
MACCS_164	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
MACCS_164	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
MACCS_164	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
MACCS_164	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
MACCS_164	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
MACCS_164	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
MACCS_164	OC(C)C(=O)O[Hg]c1ccccc1	C122645
MACCS_164	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
MACCS_164	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
MACCS_164	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
MACCS_164	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
MACCS_164	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
MACCS_164	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
MACCS_164	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
MACCS_164	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
MACCS_164	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
MACCS_164	CC1(C)COP(Oc2ccccc2)OC1	C3057087
MACCS_164	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
MACCS_164	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
MACCS_164	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
MACCS_164	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
MACCS_164	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
MACCS_164	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
MACCS_164	O=C(OCC(O)COc1ccccc1)C=C	C16969101
MACCS_164	Nc1cccc(C)n1	C1824813
MACCS_164	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
MACCS_164	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
MACCS_164	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
MACCS_164	CC1COc2ccccc2N1	C32329207
MACCS_164	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
MACCS_164	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
MACCS_164	O=C([O-])c1cnccc1.[Na+]	C54864
MACCS_164	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
MACCS_164	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
MACCS_164	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
MACCS_164	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
MACCS_164	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
MACCS_164	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
MACCS_164	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
MACCS_164	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
MACCS_164	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
MACCS_164	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
MACCS_164	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
MACCS_164	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
MACCS_164	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
MACCS_164	SC1CCCC1	C1679078
MACCS_164	COC(OC)C(C)c1ccccc1	C90879
MACCS_164	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
MACCS_164	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
MACCS_164	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
MACCS_164	O=C(C)c1cc2c(cc1)CCCC2	C774550
MACCS_164	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
MACCS_164	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
MACCS_164	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
MACCS_164	NNC(=O)OCc1ccccc1	C5331431
MACCS_164	CC1(C)C2CC(=CCC12)C	C13466789
MACCS_164	c1(SSc2cccs2)cccs1	C6911519
MACCS_164	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
MACCS_164	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
MACCS_164	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
MACCS_164	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
MACCS_164	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
MACCS_164	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
MACCS_164	Oc1cc2c(cc1)c1ccccc1C2	C2443585
MACCS_164	O=COCc1ccc(OC)cc1	C122918
MACCS_164	CCCCCc1ccco1	C3777693
MACCS_164	OC1(C)SCC(O)(C)SC1	C55704784
MACCS_164	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP5	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PADEL_EStateFP5	OB(O)O	C10043353
PADEL_EStateFP6	F[B-](F)(F)F.[Na+]	C13755298
PADEL_EStateFP7	CC(=O)N	C60355
PADEL_EStateFP7	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP7	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_EStateFP7	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP7	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_EStateFP7	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP7	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP7	CC(CNCC(C)O)O	C110974
PADEL_EStateFP7	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_EStateFP7	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP7	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP7	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_EStateFP7	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_EStateFP7	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP7	Clc1c(ccc(c1)N)C	C95749
PADEL_EStateFP7	ClCOC	C107302
PADEL_EStateFP7	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP7	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP7	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP7	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP7	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP7	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_EStateFP7	S=C(NCC)NCC	C105555
PADEL_EStateFP7	CN(C)C(=O)C	C127195
PADEL_EStateFP7	CN(CCO)C	C108010
PADEL_EStateFP7	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_EStateFP7	CN(C)N	C57147
PADEL_EStateFP7	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_EStateFP7	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP7	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_EStateFP7	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP7	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_EStateFP7	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP7	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP7	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP7	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP7	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP7	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP7	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_EStateFP7	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP7	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_EStateFP7	COc1ccc(cc1)O	C150765
PADEL_EStateFP7	NC(=O)OC	C598550
PADEL_EStateFP7	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP7	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_EStateFP7	C=Cc1ccc(cc1)C	C622979
PADEL_EStateFP7	O=[N+](CC)[O-]	C79243
PADEL_EStateFP7	CN(C(=O)N)N=O	C684935
PADEL_EStateFP7	CN(N=O)C	C62759
PADEL_EStateFP7	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_EStateFP7	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP7	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP7	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP7	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_EStateFP7	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP7	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP7	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP7	Nc1ccccc1C.Cl	C636215
PADEL_EStateFP7	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_EStateFP7	O=P(OC)(OC)OC	C512561
PADEL_EStateFP7	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP7	OCCOCCOCCOCCCC	C143226
PADEL_EStateFP7	CCCCCCCCCC=O	C112312
PADEL_EStateFP7	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP7	O=CCCCCCC	C111717
PADEL_EStateFP7	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP7	CCCCCCCCC=O	C124196
PADEL_EStateFP7	OC(=O)CCCC	C109524
PADEL_EStateFP7	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP7	CS(=O)C	C67685
PADEL_EStateFP7	OCCC	C71238
PADEL_EStateFP7	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_EStateFP7	OC(C)CN	C78966
PADEL_EStateFP7	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_EStateFP7	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_EStateFP7	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP7	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP7	Nc1ccc(CCCC)cc1	C104132
PADEL_EStateFP7	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP7	CC(O)CC(C)(C)O	C107415
PADEL_EStateFP7	CCCC(=O)C	C107879
PADEL_EStateFP7	CCCCCC(=O)C	C110430
PADEL_EStateFP7	CCNCCO	C110736
PADEL_EStateFP7	CCCCCCO	C111273
PADEL_EStateFP7	CCCCCCCO	C111706
PADEL_EStateFP7	CCCCCCCCCC(=O)C	C112129
PADEL_EStateFP7	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP7	Oc1ccc(CC)cc1	C123079
PADEL_EStateFP7	CCCCCC(=O)OCC	C123660
PADEL_EStateFP7	CCCCCCCCCCCCN	C124221
PADEL_EStateFP7	CCCCCCCCCO	C143088
PADEL_EStateFP7	COc1ccc(OC)cc1	C150787
PADEL_EStateFP7	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP7	Oc1ccc(CCC)cc1	C645567
PADEL_EStateFP7	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP7	CC/C=C\CCO	C928961
PADEL_EStateFP7	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_EStateFP7	CCCCCCCCCCN	C2016571
PADEL_EStateFP7	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP7	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP7	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_EStateFP7	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_EStateFP7	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP7	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP7	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_EStateFP7	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP7	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP7	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP7	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_EStateFP7	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_EStateFP7	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_EStateFP7	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP7	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_EStateFP7	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP7	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP7	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_EStateFP7	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_EStateFP7	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP7	c1(c(CC)cccc1)O	C90006
PADEL_EStateFP7	c1c(O)cccc1CC	C620177
PADEL_EStateFP7	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_EStateFP7	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_EStateFP7	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP7	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP7	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP7	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_EStateFP7	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP7	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_EStateFP7	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP7	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP7	c1cccc(OC)c1O	C90051
PADEL_EStateFP7	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP7	C(=O)(O)C(C)O	C50215
PADEL_EStateFP7	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_EStateFP7	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP7	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP7	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_EStateFP7	C[Si](=O)C	C9016006
PADEL_EStateFP7	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP7	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP7	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_EStateFP7	CNC	C124403
PADEL_EStateFP7	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP7	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP7	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP7	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP7	CC(=C)C#N	C126987
PADEL_EStateFP7	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP7	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP7	Cc1cc(O)ccc1	C108394
PADEL_EStateFP7	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP7	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP7	CC(O)COC	C107982
PADEL_EStateFP7	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP7	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_EStateFP7	ON=CCCC	C110690
PADEL_EStateFP7	O=C(OCCCC)C=C	C141322
PADEL_EStateFP7	C(C)(C)(C)N	C75649
PADEL_EStateFP7	C(OCCCC)C1CO1	C2426086
PADEL_EStateFP7	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_EStateFP7	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP7	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP7	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP7	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP7	N(C)(C)c1cccc(O)c1	C99070
PADEL_EStateFP7	N(CCCN)(C)C	C109557
PADEL_EStateFP7	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_EStateFP7	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_EStateFP7	Cc1c(C)cccc1O	C526750
PADEL_EStateFP7	Cc1cc(C)cc(O)c1	C108689
PADEL_EStateFP7	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP7	C(CCCCCC)CCCCCS	C112550
PADEL_EStateFP7	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP7	C(CC)(C=O)CCCC	C123057
PADEL_EStateFP7	OCC(C(O)CCC)CC	C94962
PADEL_EStateFP7	CCC(=CCCC)C=O	C645625
PADEL_EStateFP7	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP7	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP7	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP7	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_EStateFP7	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP7	C(C)(C)(O)C#N	C75865
PADEL_EStateFP7	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP7	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP7	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP7	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP7	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP7	N#CC(CCC#N)C	C4553622
PADEL_EStateFP7	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP7	C(CCCCCCC)C	C111842
PADEL_EStateFP7	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP7	O(c1ccc(N)cc1)CC	C156434
PADEL_EStateFP7	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP7	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP7	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP7	Cc1cccc2nn[nH]c12	C29385431
PADEL_EStateFP7	O=P(OCC)(OCC)OCC	C78400
PADEL_EStateFP7	N(C)(C)C	C75503
PADEL_EStateFP7	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP7	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP7	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_EStateFP7	Cc1cccc(C)c1	C108383
PADEL_EStateFP7	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP7	N#CC(C)C	C78820
PADEL_EStateFP7	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP7	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP7	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP7	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_EStateFP7	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP7	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_EStateFP7	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP7	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_EStateFP7	O=C1OCC(C)O1	C108327
PADEL_EStateFP7	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP7	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP7	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP7	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP7	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP7	CCCCCCCCCCCCN(C)C	C112185
PADEL_EStateFP7	OCCOCCOCCOC	C112356
PADEL_EStateFP7	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP7	O=Cc1ccc(OC)cc1	C123115
PADEL_EStateFP7	OC(CCCCCC)C	C123966
PADEL_EStateFP7	OCC(N)(C)C	C124685
PADEL_EStateFP7	OCC(C)(C)CO	C126307
PADEL_EStateFP7	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP7	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP7	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP7	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP7	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP7	O=COC(C)C	C625558
PADEL_EStateFP7	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_EStateFP7	Cl[Sn](C)(C)Cl	C753731
PADEL_EStateFP7	OC(C)COc1ccccc1	C770354
PADEL_EStateFP7	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_EStateFP7	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP7	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP7	Nc1cccc(C)c1C	C1300738
PADEL_EStateFP7	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP7	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP7	OCCOCCOCCOCCOCCCC	C1559348
PADEL_EStateFP7	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_EStateFP7	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP7	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP7	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_EStateFP7	OCCOCCC	C2807309
PADEL_EStateFP7	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP7	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_EStateFP7	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP7	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_EStateFP7	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP7	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP7	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_EStateFP7	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP7	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP7	Nc1c(C)cccc1CC	C24549062
PADEL_EStateFP7	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_EStateFP7	Clc1cccc(C)c1	C25168052
PADEL_EStateFP7	CC(CO)O	C25322694
PADEL_EStateFP7	SC(C)(C)CCCCCC	C25360105
PADEL_EStateFP7	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP7	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_EStateFP7	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP7	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_EStateFP7	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_EStateFP7	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP7	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_EStateFP7	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_EStateFP7	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP7	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP7	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_EStateFP7	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_EStateFP7	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_EStateFP7	OC(CCCC(C)C)(C)CC	C78693
PADEL_EStateFP7	Cc1cc(C)c(C)cc1C	C95932
PADEL_EStateFP7	O=C(c1ccc(O)cc1)C	C99934
PADEL_EStateFP7	CN1CCOCC1	C109024
PADEL_EStateFP7	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP7	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_EStateFP7	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP7	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP7	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP7	O=C(C=C(C)C)C	C141797
PADEL_EStateFP7	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_EStateFP7	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP7	OC(C)COCCC	C1569013
PADEL_EStateFP7	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_EStateFP7	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_EStateFP7	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_EStateFP7	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP7	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_EStateFP7	OCC(CCC)CCCCC	C10042598
PADEL_EStateFP7	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP7	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP7	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP7	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP7	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP7	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP7	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP7	OC1CC(CCC1C(C)C)C	C1490046
PADEL_EStateFP7	OCCC(C)CC(C)(C)C	C3452979
PADEL_EStateFP7	OC(OCCCC)CC	C29387868
PADEL_EStateFP7	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP7	ClC(Cl)(C)C	C594207
PADEL_EStateFP7	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP7	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP7	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_EStateFP7	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_EStateFP7	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP7	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP7	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP7	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP7	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP7	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP7	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_EStateFP7	OCn1nc(C)cc1C	C85264331
PADEL_EStateFP7	OCCSCCCCCCCC	C3547339
PADEL_EStateFP7	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP7	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP7	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP7	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP7	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP7	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP7	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP7	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP7	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP7	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP7	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP7	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP7	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP7	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP7	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_EStateFP7	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP7	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP7	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP7	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP7	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP7	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP7	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP7	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_EStateFP7	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP7	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP7	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP7	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP7	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_EStateFP7	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP7	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP7	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP7	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP7	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP7	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP7	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_EStateFP7	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP7	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP7	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP7	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP7	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP7	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_EStateFP7	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP7	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP7	OC(CCCCC)C=C	C3391864
PADEL_EStateFP7	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_EStateFP7	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_EStateFP7	Cc1ccc(C)c2c1cccc2	C571584
PADEL_EStateFP7	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_EStateFP7	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_EStateFP7	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP7	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP7	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_EStateFP7	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_EStateFP7	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP7	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_EStateFP7	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP7	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP7	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP7	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_EStateFP7	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_EStateFP7	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP7	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP7	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_EStateFP7	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP7	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP7	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_EStateFP7	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP7	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_EStateFP7	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_EStateFP7	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP7	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP7	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP7	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_EStateFP7	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP7	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP7	O=C(CC)OCC	C105373
PADEL_EStateFP7	O=C(c1ccccc1O)C	C118934
PADEL_EStateFP7	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP7	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP7	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP7	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP7	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_EStateFP7	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_EStateFP7	Nc1ccc(CCCCC)cc1	C33228443
PADEL_EStateFP7	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_EStateFP7	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_EStateFP7	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP7	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_EStateFP7	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP7	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP7	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP7	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_EStateFP7	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_EStateFP7	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP7	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP7	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP7	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_EStateFP7	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP7	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_EStateFP7	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP7	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP7	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_EStateFP7	CC(O)COCC	C1569024
PADEL_EStateFP7	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP7	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP7	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_EStateFP7	Oc1ccccc1CN(C)C	C120650
PADEL_EStateFP7	O=C1CCC(O1)CC	C695067
PADEL_EStateFP7	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP7	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP7	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP7	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP7	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP7	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_EStateFP7	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_EStateFP7	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP7	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_EStateFP7	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_EStateFP7	OC(CCCC(C)C)(C)C	C13254347
PADEL_EStateFP7	O=C/C=C/CCC	C6728263
PADEL_EStateFP7	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP7	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP7	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP7	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP7	CCC(c1ccccc1)CCC	C4468422
PADEL_EStateFP7	O=CCC/C=C\CCCCC	C21662099
PADEL_EStateFP7	O=c1ccoc(CC)c1O	C4940118
PADEL_EStateFP7	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP7	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP7	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP7	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP7	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP7	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP7	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP7	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP7	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_EStateFP7	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_EStateFP7	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP7	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP7	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP7	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_EStateFP7	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_EStateFP7	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_EStateFP7	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP7	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP7	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP7	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP7	OC1CC(C)(C)CC(C)C1	C116029
PADEL_EStateFP7	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP7	OP(OCC)OCC	C762049
PADEL_EStateFP7	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP7	OCCOCC(CC)CCCC	C1559359
PADEL_EStateFP7	O=C(CC)CCCCC	C106683
PADEL_EStateFP7	OCCN(CC)CCO	C139877
PADEL_EStateFP7	CCOC(OCC)OCC	C122510
PADEL_EStateFP7	CCO[Si](OCC)(OCC)CC	C78079
PADEL_EStateFP7	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_EStateFP7	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP7	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP7	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP7	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP7	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_EStateFP7	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP7	Oc1cc(C(C)C)ccc1C	C499752
PADEL_EStateFP7	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP7	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP7	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP7	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP7	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP7	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_EStateFP7	S=C(NC)NC	C534134
PADEL_EStateFP7	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP7	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_EStateFP7	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP7	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_EStateFP7	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP7	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_EStateFP7	Oc1c(OCC)cccc1	C94713
PADEL_EStateFP7	Oc1ccc(C(C)C)cc1	C99898
PADEL_EStateFP7	COc1ccc(CCC)cc1	C104450
PADEL_EStateFP7	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP7	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP7	CO[Si](C)(C)OC	C1112396
PADEL_EStateFP7	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_EStateFP7	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP7	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_EStateFP7	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_EStateFP7	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_EStateFP7	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP7	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP7	CCO[Si](OCC)(C)OCC	C2031676
PADEL_EStateFP7	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_EStateFP7	CO[Si](OC)(CCC)OC	C1067250
PADEL_EStateFP7	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_EStateFP7	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP7	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP7	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP7	NNC(=S)NC	C6610293
PADEL_EStateFP7	Oc1c(C(C)C)cccc1	C88697
PADEL_EStateFP7	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP7	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP7	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_EStateFP7	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_EStateFP7	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP7	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_EStateFP7	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP7	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_EStateFP7	Oc1cc(C(C)C)ccc1	C618451
PADEL_EStateFP7	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_EStateFP7	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP7	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP7	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP7	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP7	OCC(CCCC)CCCCCC	C3913028
PADEL_EStateFP7	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_EStateFP7	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_EStateFP7	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP7	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP7	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_EStateFP7	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP7	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP7	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP7	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP7	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP7	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_EStateFP7	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP7	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP7	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP7	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP7	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP7	Oc1ccc(CCCC)cc1	C1638228
PADEL_EStateFP7	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP7	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP7	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP7	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_EStateFP7	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP7	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP7	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_EStateFP7	OCCOCC(C)OCCO	C9003116
PADEL_EStateFP7	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP7	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP7	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_EStateFP7	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP7	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_EStateFP7	Nc1ccc(CCC)cc1	C2696846
PADEL_EStateFP7	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_EStateFP7	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP7	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_EStateFP7	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_EStateFP7	Sc1ccc(C)cc1	C106456
PADEL_EStateFP7	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP7	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP7	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_EStateFP7	Clc1ccc(CCCC)cc1	C15499271
PADEL_EStateFP7	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_EStateFP7	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_EStateFP7	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_EStateFP7	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_EStateFP7	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP7	Nc1ccc(cc1)OCCCC	C4344552
PADEL_EStateFP7	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_EStateFP7	O=C(c1ccccc1)C(C)C	C611701
PADEL_EStateFP7	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP7	OC1CCC(CCCC)CC1	C70568604
PADEL_EStateFP7	Clc1ccc(CCCCC)cc1	C79098207
PADEL_EStateFP7	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP7	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_EStateFP7	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP7	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP7	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP7	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP7	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP7	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP7	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP7	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP7	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP7	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP7	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP7	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP7	C[As](=O)(C)O	C75605
PADEL_EStateFP7	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP7	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP7	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP7	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP7	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP7	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP7	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP7	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_EStateFP7	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP7	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP7	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_EStateFP7	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_EStateFP7	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP7	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_EStateFP7	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP7	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP7	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP7	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP7	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP7	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP7	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_EStateFP7	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP7	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP7	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP7	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP7	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP7	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_EStateFP7	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP7	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP7	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP7	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP7	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP7	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP7	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP7	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP7	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP7	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP7	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP7	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP7	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP7	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP7	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP7	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP7	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP7	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP7	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP7	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP7	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP7	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_EStateFP7	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP7	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP7	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP7	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP7	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP7	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP7	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP7	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP7	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_EStateFP7	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_EStateFP7	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP7	NP(=O)(OC)SC	C10265926
PADEL_EStateFP7	OCCOC	C109864
PADEL_EStateFP7	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP7	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_EStateFP7	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP7	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP7	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP7	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP7	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_EStateFP7	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP7	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP7	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP7	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_EStateFP7	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_EStateFP7	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP7	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP7	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP7	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_EStateFP7	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP7	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP7	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP7	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP7	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP7	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_EStateFP7	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP7	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_EStateFP7	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP7	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP7	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP7	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_EStateFP7	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP7	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP7	S=C=NC	C556616
PADEL_EStateFP7	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP7	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP7	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP7	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP7	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP7	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_EStateFP7	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP7	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP7	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP7	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP7	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_EStateFP7	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP7	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP7	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP7	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP7	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP7	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP7	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP7	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP7	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP7	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP7	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP7	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP7	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP7	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP7	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP7	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP7	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP7	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP7	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP7	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_EStateFP7	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP7	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP7	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP7	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP7	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP7	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP7	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP7	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP7	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP7	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP7	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP7	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP7	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP7	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP7	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_EStateFP7	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP7	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP7	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_EStateFP7	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_EStateFP7	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP7	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP7	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP7	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_EStateFP7	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP7	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP7	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP7	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP7	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP7	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP7	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP7	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP7	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP7	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP7	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP7	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP7	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP7	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP7	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP7	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP7	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP7	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP7	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP7	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_EStateFP7	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP7	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP7	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP7	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP7	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP7	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP7	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP7	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP7	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP7	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP7	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP7	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP7	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP7	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_EStateFP7	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP7	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP7	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP7	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP7	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP7	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP7	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP7	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP7	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP7	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP7	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP7	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP7	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP7	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_EStateFP7	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP7	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP7	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP7	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP7	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP7	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP7	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP7	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_EStateFP7	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP7	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP7	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP7	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP7	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP7	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP7	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP7	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP7	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP7	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP7	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_EStateFP7	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_EStateFP7	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP7	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_EStateFP7	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP7	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP7	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP7	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_EStateFP7	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_EStateFP7	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_EStateFP7	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_EStateFP7	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP7	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP7	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP7	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP7	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP7	Nc1cc(ccc1OC)C	C120718
PADEL_EStateFP7	Nc1c(ccc(c1)N)C	C95807
PADEL_EStateFP7	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP7	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP7	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_EStateFP7	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP7	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP7	CN(c1ccccc1)C	C121697
PADEL_EStateFP7	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_EStateFP7	O=C(N(C)C)Cl	C79447
PADEL_EStateFP7	CN(C=O)C	C68122
PADEL_EStateFP7	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_EStateFP7	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_EStateFP7	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP7	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP7	CCC(CCCC)CO	C104767
PADEL_EStateFP7	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP7	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP7	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP7	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP7	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_EStateFP7	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP7	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP7	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP7	[nH]1c(=S)n(cc1)C	C60560
PADEL_EStateFP7	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP7	CS(=O)(=O)OC	C66273
PADEL_EStateFP7	O=C1N(CCC1)C	C872504
PADEL_EStateFP7	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP7	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_EStateFP7	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_EStateFP7	Cc1c2c(ccc1)cccc2	C90120
PADEL_EStateFP7	Cc1cc2cccnc2cc1	C91623
PADEL_EStateFP7	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_EStateFP7	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP7	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_EStateFP7	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_EStateFP7	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_EStateFP7	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_EStateFP7	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP7	CCN(CC)N=O	C55185
PADEL_EStateFP7	O=NN(CCC)CCC	C621647
PADEL_EStateFP7	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP7	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP7	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP7	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP7	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP7	CC(CO)O	C57556
PADEL_EStateFP7	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_EStateFP7	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_EStateFP7	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP7	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP7	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP7	OC(=O)C=CC=CC	C110441
PADEL_EStateFP7	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP7	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_EStateFP7	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP7	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_EStateFP7	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP7	Cc1c(ccc(c1)C)C	C95636
PADEL_EStateFP7	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP7	NC(=O)OCC	C51796
PADEL_EStateFP7	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP7	OC(=O)CCC	C107926
PADEL_EStateFP7	CCCCOCCOCCO	C112345
PADEL_EStateFP7	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP7	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP7	O=C(O)CCCCCC	C111148
PADEL_EStateFP7	CCCCCC(=O)O	C142621
PADEL_EStateFP7	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP7	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP7	CCCCCCCC=O	C124130
PADEL_EStateFP7	CCCCCCCC(=O)O	C124072
PADEL_EStateFP7	CCCCC=O	C110623
PADEL_EStateFP7	CCCCCCCCCCC	C1120214
PADEL_EStateFP7	Oc1cc(C)c(Cl)cc1	C59507
PADEL_EStateFP7	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP7	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_EStateFP7	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP7	CCN(CC)c1ccccc1	C91667
PADEL_EStateFP7	Oc1c(C)cccc1	C95487
PADEL_EStateFP7	CCC(=NO)C	C96297
PADEL_EStateFP7	c1ccccc1C(=O)C	C98862
PADEL_EStateFP7	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_EStateFP7	CN(C)c1ccc(C)cc1	C99978
PADEL_EStateFP7	CCN(CCO)CC	C100378
PADEL_EStateFP7	CCNc1cc(C)ccc1	C102272
PADEL_EStateFP7	Oc1c(C)cc(C)cc1	C105679
PADEL_EStateFP7	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP7	Oc1ccc(C)cc1	C106445
PADEL_EStateFP7	Nc1ccc(C)cc1	C106490
PADEL_EStateFP7	CC(=O)OCCOCC	C111159
PADEL_EStateFP7	CCCCCCCCO	C111875
PADEL_EStateFP7	CCOCCOCCO	C111900
PADEL_EStateFP7	CCCCCCCCCCO	C112301
PADEL_EStateFP7	CCCCCCCCCCCCCO	C112709
PADEL_EStateFP7	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP7	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP7	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_EStateFP7	Oc1c(C)cc(C)cc1C	C527606
PADEL_EStateFP7	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_EStateFP7	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP7	Oc1c(C)c(C)ccc1C	C2416946
PADEL_EStateFP7	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_EStateFP7	c1(c(O)cccc1)C(CC)C	C89725
PADEL_EStateFP7	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_EStateFP7	Oc1ccc(C=CC)cc1OC	C97541
PADEL_EStateFP7	c1(CCCC)ccccc1	C104518
PADEL_EStateFP7	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP7	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP7	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP7	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_EStateFP7	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP7	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP7	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP7	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_EStateFP7	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP7	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP7	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP7	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP7	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP7	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP7	O=N(=O)c1ccc(C)cc1	C99990
PADEL_EStateFP7	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP7	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP7	Nc1c(OC)cccc1	C90040
PADEL_EStateFP7	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP7	Cc1ccccc1Cl	C95498
PADEL_EStateFP7	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP7	O=S(=O)(OCC)OCC	C64675
PADEL_EStateFP7	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_EStateFP7	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP7	O=S(=O)(OC)OC	C77781
PADEL_EStateFP7	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_EStateFP7	Oc1cc(C)c(C)cc1	C95658
PADEL_EStateFP7	Oc1c(cccc1C)C	C576261
PADEL_EStateFP7	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP7	CCOCCO	C110805
PADEL_EStateFP7	CCCCOCCO	C111762
PADEL_EStateFP7	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_EStateFP7	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP7	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP7	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP7	OCCOCCOCCOCC	C112505
PADEL_EStateFP7	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP7	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP7	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP7	Oc1c(ccc(N)c1)C	C2835952
PADEL_EStateFP7	O(CCOC)CCOC	C111966
PADEL_EStateFP7	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP7	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP7	Cc1ccc(Cl)cc1	C106434
PADEL_EStateFP7	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP7	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP7	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP7	O(O)C(c1ccccc1)(C)C	C80159
PADEL_EStateFP7	C(CCCCCCCC)C	C124185
PADEL_EStateFP7	Nc1cc(C)ccc1N	C496720
PADEL_EStateFP7	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_EStateFP7	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP7	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_EStateFP7	O(CCOC)CCO	C111773
PADEL_EStateFP7	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP7	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_EStateFP7	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP7	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_EStateFP7	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP7	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_EStateFP7	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_EStateFP7	Oc1c(ccc(C)c1)C	C95874
PADEL_EStateFP7	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP7	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_EStateFP7	N(c1ccccc1)CC	C103695
PADEL_EStateFP7	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP7	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP7	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_EStateFP7	o1c(C)c(O)c(=O)cc1	C118718
PADEL_EStateFP7	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP7	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP7	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP7	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP7	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_EStateFP7	O=c1ccsn1CCCCCCCC	C26530201
PADEL_EStateFP7	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP7	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_EStateFP7	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_EStateFP7	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_EStateFP7	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_EStateFP7	Nc1c(cccc1)C	C95534
PADEL_EStateFP7	N(CCCC)(CCCC)CCCC	C102829
PADEL_EStateFP7	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP7	C(OCCOC)COCCOC	C112492
PADEL_EStateFP7	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP7	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_EStateFP7	Nc1c(cccc1C)C	C87627
PADEL_EStateFP7	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_EStateFP7	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_EStateFP7	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP7	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_EStateFP7	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_EStateFP7	CC(C)c1ccc(C)cc1	C99876
PADEL_EStateFP7	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP7	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP7	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP7	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP7	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP7	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP7	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP7	OCCC(O)C	C107880
PADEL_EStateFP7	OC(CC(C)C)C	C108112
PADEL_EStateFP7	Nc1cccc(C)c1	C108441
PADEL_EStateFP7	Cc1cc(C)cc(C)c1	C108678
PADEL_EStateFP7	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP7	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP7	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_EStateFP7	OCCOCCCCCC	C112254
PADEL_EStateFP7	OCCCCCCCCCCC	C112425
PADEL_EStateFP7	OCCCCCCCCCCCC	C112538
PADEL_EStateFP7	OCCCCCCCCCCCCCC	C112721
PADEL_EStateFP7	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_EStateFP7	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_EStateFP7	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP7	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP7	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_EStateFP7	CCCCCCCCCCCCCCCC	C544763
PADEL_EStateFP7	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_EStateFP7	Nc1c(CC)cccc1CC	C579668
PADEL_EStateFP7	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_EStateFP7	O=C(C)OCCCCC	C628637
PADEL_EStateFP7	CCCCCCCCCCCCCCC	C629629
PADEL_EStateFP7	OCCCCCCCCCCCCCCC	C629765
PADEL_EStateFP7	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP7	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_EStateFP7	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP7	Nc1cccc(C)c1N	C2687254
PADEL_EStateFP7	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_EStateFP7	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_EStateFP7	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP7	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP7	OC(OC(O)CC)CC	C25265718
PADEL_EStateFP7	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP7	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_EStateFP7	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP7	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP7	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP7	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP7	OC(OCCCOC)CC	C34590948
PADEL_EStateFP7	OCCCCCCCCCCCCCCCC	C36653824
PADEL_EStateFP7	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP7	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP7	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP7	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_EStateFP7	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP7	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_EStateFP7	O=C(N)C(=C)C	C79390
PADEL_EStateFP7	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP7	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP7	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP7	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP7	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_EStateFP7	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP7	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_EStateFP7	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_EStateFP7	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP7	O=c1n(C)sc(Cl)c1	C26172554
PADEL_EStateFP7	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP7	Oc1cc(C)ccc1C(C)C	C89838
PADEL_EStateFP7	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP7	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP7	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP7	CCCCCCCCN(C)C	C7378996
PADEL_EStateFP7	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP7	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP7	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_EStateFP7	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP7	O=C(CCC)OCC	C105544
PADEL_EStateFP7	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP7	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP7	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP7	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP7	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP7	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP7	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_EStateFP7	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP7	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_EStateFP7	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP7	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP7	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP7	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP7	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_EStateFP7	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP7	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_EStateFP7	CCCc1ccccc1	C103651
PADEL_EStateFP7	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_EStateFP7	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_EStateFP7	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP7	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP7	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP7	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP7	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_EStateFP7	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_EStateFP7	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_EStateFP7	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP7	CC(C)(C)c1ccccc1	C98066
PADEL_EStateFP7	O=C(C)NC	C79163
PADEL_EStateFP7	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP7	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP7	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP7	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP7	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP7	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP7	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP7	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP7	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP7	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP7	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_EStateFP7	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP7	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP7	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP7	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP7	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP7	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP7	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP7	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP7	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP7	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP7	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP7	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP7	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP7	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_EStateFP7	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP7	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP7	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP7	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_EStateFP7	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP7	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP7	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP7	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP7	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP7	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP7	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP7	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP7	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP7	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP7	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP7	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP7	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP7	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP7	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP7	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP7	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP7	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_EStateFP7	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP7	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP7	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP7	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP7	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP7	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP7	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP7	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP7	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP7	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP7	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP7	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP7	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP7	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP7	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP7	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP7	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP7	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP7	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP7	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP7	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP7	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP7	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP7	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP7	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP7	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP7	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP7	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP7	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP7	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP7	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP7	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP7	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP7	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_EStateFP7	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP7	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP7	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP7	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP7	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP7	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP7	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP7	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP7	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP7	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_EStateFP7	C=CCCCCCCCCCCCC	C1120361
PADEL_EStateFP7	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP7	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP7	OC(C(CC)CCCC)C#C	C5877429
PADEL_EStateFP7	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_EStateFP7	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP7	C(=O)(C)O	C64197
PADEL_EStateFP7	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_EStateFP7	C(CO)C(C)C	C123513
PADEL_EStateFP7	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP7	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP7	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP7	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP7	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP7	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_EStateFP7	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP7	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP7	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP7	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP7	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP7	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP7	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP7	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP7	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP7	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP7	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_EStateFP7	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP7	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP7	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP7	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP7	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP7	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP7	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP7	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP7	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP7	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP7	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP7	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP7	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP7	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP7	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP7	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP7	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP7	OCCC(OC)C	C2517433
PADEL_EStateFP7	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP7	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP7	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP7	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP7	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP7	O=COCC	C109944
PADEL_EStateFP7	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP7	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP7	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_EStateFP7	O=CCCSC	C3268493
PADEL_EStateFP7	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_EStateFP7	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP7	N(CCN(C)C)(C)C	C110189
PADEL_EStateFP7	CCN(CC)CC	C121448
PADEL_EStateFP7	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP7	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP7	CC(=O)OCC	C141786
PADEL_EStateFP7	CC(=O)OCCCC	C123864
PADEL_EStateFP7	CC(=O)CCC(C)C	C110123
PADEL_EStateFP7	n1cc(C)ccc1	C108996
PADEL_EStateFP7	CC(=O)CC(C)C	C108101
PADEL_EStateFP7	CC(C)C=O	C78842
PADEL_EStateFP7	CCCCCC=O	C66251
PADEL_EStateFP7	CCCC=O	C123728
PADEL_EStateFP7	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP7	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP7	CCC1CO1	C106887
PADEL_EStateFP7	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_EStateFP7	CC1CC(=O)O1	C3068880
PADEL_EStateFP7	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP7	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP7	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP7	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP7	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP7	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP7	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP7	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP7	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP7	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP7	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_EStateFP7	CC(c1ccc(CO)cc1)C	C536607
PADEL_EStateFP7	CC(=O)C(=O)O	C127173
PADEL_EStateFP7	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP7	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP7	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_EStateFP7	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_EStateFP7	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP7	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP7	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP7	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP7	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP7	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP7	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP7	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_EStateFP7	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP7	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP7	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_EStateFP7	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_EStateFP7	Nc1ccc(OC)cc1	C104949
PADEL_EStateFP7	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_EStateFP7	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_EStateFP7	O=CC=CC=CCCCCC	C25152845
PADEL_EStateFP7	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_EStateFP7	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_EStateFP7	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_EStateFP7	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP7	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_EStateFP7	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_EStateFP7	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP7	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP7	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP7	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP7	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP7	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_EStateFP7	OCC=C(C)C	C556821
PADEL_EStateFP7	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP7	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP7	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_EStateFP7	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP7	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP7	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP7	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP7	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP7	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP7	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_EStateFP7	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP7	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_EStateFP7	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP7	O=c1cc(C)o[nH]1	C10004441
PADEL_EStateFP7	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP7	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_EStateFP7	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP7	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP7	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP7	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP7	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP7	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP7	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP7	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP7	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP7	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP7	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP7	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP7	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_EStateFP7	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP7	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP7	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP7	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP7	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP7	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP7	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP7	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP7	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP7	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_EStateFP7	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP7	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP7	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP7	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP7	Br[Sn](CC)(CC)CC	C2767546
PADEL_EStateFP7	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP7	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_EStateFP7	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP7	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP7	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_EStateFP7	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP7	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP7	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_EStateFP7	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP7	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_EStateFP7	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP7	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP7	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP7	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP7	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_EStateFP7	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP7	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_EStateFP7	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_EStateFP7	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP7	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP7	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_EStateFP7	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP7	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP7	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP7	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP7	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP7	N#CSCCCCCCCCCCCC	C765151
PADEL_EStateFP7	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_EStateFP7	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_EStateFP7	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP7	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP7	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP7	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP7	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_EStateFP7	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP7	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_EStateFP7	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP7	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP7	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP7	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_EStateFP7	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_EStateFP7	CCCCCCCCCCCCN.Cl	C929737
PADEL_EStateFP7	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_EStateFP7	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_EStateFP7	BrCCCCCCCCCCCC	C143157
PADEL_EStateFP7	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP7	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_EStateFP7	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP7	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_EStateFP7	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP7	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP7	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP7	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP7	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP7	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP7	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_EStateFP7	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP7	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP7	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP7	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_EStateFP7	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP7	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP7	NCCCOCCCCCCCC	C15930662
PADEL_EStateFP7	Nc1cccc(C)n1	C1824813
PADEL_EStateFP7	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP7	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP7	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP7	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP7	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP7	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP7	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_EStateFP7	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_EStateFP7	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP7	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP7	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP7	O=C/C=C/CCCCCCC	C3913813
PADEL_EStateFP7	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP7	COC(OC)C(C)c1ccccc1	C90879
PADEL_EStateFP7	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP7	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_EStateFP7	S=C=NCCCSC	C505793
PADEL_EStateFP7	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP7	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP7	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_EStateFP7	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP7	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP7	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP7	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP7	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP7	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP7	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP7	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP7	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP7	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP7	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_EStateFP7	CCCCCCCCCC(C)C=O	C110418
PADEL_EStateFP7	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP7	CCCCCc1ccco1	C3777693
PADEL_EStateFP7	CCC(=O)C(=O)CC	C4437518
PADEL_EStateFP7	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_EStateFP7	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP8	C=CC#N	C107131
PADEL_EStateFP8	C=CCO	C107186
PADEL_EStateFP8	C=CCN=C=S	C57067
PADEL_EStateFP8	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP8	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP8	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP8	C=Cc1ccc(cc1)C	C622979
PADEL_EStateFP8	C=CC(Cl)CCl	C760236
PADEL_EStateFP8	C=CC(=O)OCCO	C818611
PADEL_EStateFP8	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP8	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP8	CC(=C)C#N	C126987
PADEL_EStateFP8	O=C(OCCCC)C=C	C141322
PADEL_EStateFP8	C=Cc1ccccc1C=C	C1321740
PADEL_EStateFP8	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP8	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP8	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP8	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP8	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP8	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_EStateFP8	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP8	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP8	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP8	OC(CCCCC)C=C	C3391864
PADEL_EStateFP8	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_EStateFP8	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP8	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP8	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP8	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP8	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP8	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP8	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP8	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP8	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_EStateFP8	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP8	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP8	C=O	C50000
PADEL_EStateFP8	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP8	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP8	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP8	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP8	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP8	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP8	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP8	NC(=O)C=C	C79061
PADEL_EStateFP8	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP8	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP8	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_EStateFP8	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP8	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP8	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP8	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP8	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP8	O=C(N)C(=C)C	C79390
PADEL_EStateFP8	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP8	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP8	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP8	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP8	C=CCCCCCCCCCCCC	C1120361
PADEL_EStateFP8	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP8	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP8	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP8	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP8	O=CCCCCCCCCC=C	C112458
PADEL_EStateFP8	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP8	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP8	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP8	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP8	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP8	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP8	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP8	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP8	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP8	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP8	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP8	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP9	C=CCO	C107186
PADEL_EStateFP9	C=CCN=C=S	C57067
PADEL_EStateFP9	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP9	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP9	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_EStateFP9	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP9	CC(CNCC(C)O)O	C110974
PADEL_EStateFP9	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP9	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP9	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP9	O=CCCl	C107200
PADEL_EStateFP9	ClCOC	C107302
PADEL_EStateFP9	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP9	O=C1CCCCC1	C108941
PADEL_EStateFP9	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP9	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP9	BrCCBr	C106934
PADEL_EStateFP9	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP9	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_EStateFP9	S=C(NCC)NCC	C105555
PADEL_EStateFP9	CN(CCO)C	C108010
PADEL_EStateFP9	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_EStateFP9	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP9	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_EStateFP9	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP9	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_EStateFP9	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_EStateFP9	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP9	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP9	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP9	OC(CO)CCl	C96242
PADEL_EStateFP9	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP9	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_EStateFP9	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP9	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP9	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_EStateFP9	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_EStateFP9	O=[N+](CC)[O-]	C79243
PADEL_EStateFP9	O=NN1CCCC1	C930552
PADEL_EStateFP9	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP9	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP9	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP9	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP9	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP9	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP9	ClCC(Cl)CCl	C96184
PADEL_EStateFP9	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP9	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP9	O=CCc1ccccc1	C122781
PADEL_EStateFP9	OCCOCCOCCOCCCC	C143226
PADEL_EStateFP9	CCCCCCCCCC=O	C112312
PADEL_EStateFP9	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP9	O=CCCCCCC	C111717
PADEL_EStateFP9	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP9	CCCCCCCCC=O	C124196
PADEL_EStateFP9	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_EStateFP9	OC(=O)CCCC	C109524
PADEL_EStateFP9	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP9	OCCC	C71238
PADEL_EStateFP9	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_EStateFP9	OC(C)CN	C78966
PADEL_EStateFP9	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_EStateFP9	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP9	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP9	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_EStateFP9	ON=C1CCCCC1	C100641
PADEL_EStateFP9	OCCN1CCNCC1	C103764
PADEL_EStateFP9	Nc1ccc(CCCC)cc1	C104132
PADEL_EStateFP9	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP9	CC(O)CC(C)(C)O	C107415
PADEL_EStateFP9	CCCC(=O)C	C107879
PADEL_EStateFP9	C1CCCCC1O	C108930
PADEL_EStateFP9	N#CCC#N	C109773
PADEL_EStateFP9	CCCCCC(=O)C	C110430
PADEL_EStateFP9	C(O)C#CCO	C110656
PADEL_EStateFP9	CCNCCO	C110736
PADEL_EStateFP9	CCCCCCO	C111273
PADEL_EStateFP9	CCCCCCCO	C111706
PADEL_EStateFP9	CCCCCCCCCC(=O)C	C112129
PADEL_EStateFP9	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP9	Oc1ccc(CC)cc1	C123079
PADEL_EStateFP9	CCCCCC(=O)OCC	C123660
PADEL_EStateFP9	CCCCCCCCCCCCN	C124221
PADEL_EStateFP9	NCCN1CCNCC1	C140318
PADEL_EStateFP9	CCCCCCCCCO	C143088
PADEL_EStateFP9	Oc1ccc(CCC)cc1	C645567
PADEL_EStateFP9	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP9	C=CC(Cl)CCl	C760236
PADEL_EStateFP9	C=CC(=O)OCCO	C818611
PADEL_EStateFP9	CC/C=C\CCO	C928961
PADEL_EStateFP9	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_EStateFP9	CCCCCCCCCCN	C2016571
PADEL_EStateFP9	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP9	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP9	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_EStateFP9	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_EStateFP9	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP9	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_EStateFP9	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP9	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP9	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP9	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_EStateFP9	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_EStateFP9	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_EStateFP9	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP9	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP9	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_EStateFP9	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_EStateFP9	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_EStateFP9	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP9	c1(c(CC)cccc1)O	C90006
PADEL_EStateFP9	c1c(O)cccc1CC	C620177
PADEL_EStateFP9	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_EStateFP9	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP9	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP9	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP9	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP9	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP9	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_EStateFP9	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP9	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP9	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP9	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP9	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_EStateFP9	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP9	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP9	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP9	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_EStateFP9	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_EStateFP9	C(=O)(O)CCC(=O)O	C110156
PADEL_EStateFP9	NC(CO)(CO)CO	C77861
PADEL_EStateFP9	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_EStateFP9	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP9	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_EStateFP9	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP9	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP9	CC(O)COC	C107982
PADEL_EStateFP9	[Na+].[O-]C(=O)CF	C62748
PADEL_EStateFP9	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP9	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP9	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_EStateFP9	ON=CCCC	C110690
PADEL_EStateFP9	OCCCCO	C110634
PADEL_EStateFP9	O=C(OCCCC)C=C	C141322
PADEL_EStateFP9	C(OCCCC)C1CO1	C2426086
PADEL_EStateFP9	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP9	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP9	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP9	C(CCN)CCCN	C124094
PADEL_EStateFP9	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_EStateFP9	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_EStateFP9	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP9	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_EStateFP9	N(CCN)CCN	C111400
PADEL_EStateFP9	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP9	N(CCCN)(C)C	C109557
PADEL_EStateFP9	OCNC(=O)NCO	C140954
PADEL_EStateFP9	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP9	C(CCCCCC)CCCCCS	C112550
PADEL_EStateFP9	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP9	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP9	C(CC)(C=O)CCCC	C123057
PADEL_EStateFP9	OCC(C(O)CCC)CC	C94962
PADEL_EStateFP9	CCC(=CCCC)C=O	C645625
PADEL_EStateFP9	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP9	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP9	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP9	c1c(CO)occ1	C98000
PADEL_EStateFP9	O=CCCCC=O	C111308
PADEL_EStateFP9	C(=O)(O)CO	C79141
PADEL_EStateFP9	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP9	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP9	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP9	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP9	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP9	N#CC(CCC#N)C	C4553622
PADEL_EStateFP9	C1COCCN1	C110918
PADEL_EStateFP9	C(CCCCCCC)C	C111842
PADEL_EStateFP9	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP9	O(c1ccc(N)cc1)CC	C156434
PADEL_EStateFP9	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP9	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP9	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP9	c12ccccc1CCCC2	C119642
PADEL_EStateFP9	O=C(O)CS	C68111
PADEL_EStateFP9	O=P(OCC)(OCC)OCC	C78400
PADEL_EStateFP9	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP9	ClCCOP(OCCCl)OCCCl	C140089
PADEL_EStateFP9	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP9	OCCc1ccccc1	C60128
PADEL_EStateFP9	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP9	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP9	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP9	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP9	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP9	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_EStateFP9	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP9	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_EStateFP9	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP9	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP9	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_EStateFP9	O=C1OCC(C)O1	C108327
PADEL_EStateFP9	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP9	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP9	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP9	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_EStateFP9	N1CCCCCC1	C111499
PADEL_EStateFP9	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP9	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP9	CCCCCCCCCCCCN(C)C	C112185
PADEL_EStateFP9	OCCOCCOCCOC	C112356
PADEL_EStateFP9	OCCOCCOCCOCCO	C112607
PADEL_EStateFP9	OCC(CO)(CO)CO	C115775
PADEL_EStateFP9	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP9	OC(CCCCCC)C	C123966
PADEL_EStateFP9	OCC(N)(C)C	C124685
PADEL_EStateFP9	OCC(C)(C)CO	C126307
PADEL_EStateFP9	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP9	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP9	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP9	C1=CC=CC1	C542927
PADEL_EStateFP9	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP9	O=C1NCCC1	C616455
PADEL_EStateFP9	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_EStateFP9	OC(C)COc1ccccc1	C770354
PADEL_EStateFP9	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_EStateFP9	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP9	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP9	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP9	OCCOCCOCCOCCOCCCC	C1559348
PADEL_EStateFP9	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_EStateFP9	OC1CCCCCCCCCCC1	C1724396
PADEL_EStateFP9	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP9	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP9	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP9	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP9	OCCOCCC	C2807309
PADEL_EStateFP9	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP9	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_EStateFP9	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_EStateFP9	O=C(CCl)[O-].[Na+]	C3926623
PADEL_EStateFP9	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP9	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_EStateFP9	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP9	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP9	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_EStateFP9	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP9	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP9	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP9	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP9	Nc1c(C)cccc1CC	C24549062
PADEL_EStateFP9	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_EStateFP9	CC(CO)O	C25322694
PADEL_EStateFP9	SC(C)(C)CCCCCC	C25360105
PADEL_EStateFP9	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP9	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_EStateFP9	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_EStateFP9	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP9	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_EStateFP9	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_EStateFP9	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP9	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP9	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_EStateFP9	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP9	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_EStateFP9	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_EStateFP9	OC(CCCC(C)C)(C)CC	C78693
PADEL_EStateFP9	OCC1OCCC1	C97994
PADEL_EStateFP9	CN1CCOCC1	C109024
PADEL_EStateFP9	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP9	O=C1CCCC1	C120923
PADEL_EStateFP9	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP9	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_EStateFP9	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP9	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_EStateFP9	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP9	OC(C)COCCC	C1569013
PADEL_EStateFP9	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_EStateFP9	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_EStateFP9	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP9	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_EStateFP9	OCC(CCC)CCCCC	C10042598
PADEL_EStateFP9	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP9	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP9	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP9	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP9	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP9	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP9	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP9	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP9	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP9	OC1CC(CCC1C(C)C)C	C1490046
PADEL_EStateFP9	OCCC(C)CC(C)(C)C	C3452979
PADEL_EStateFP9	OC(OCCCC)CC	C29387868
PADEL_EStateFP9	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP9	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP9	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_EStateFP9	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP9	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP9	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP9	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP9	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_EStateFP9	OCn1nc(C)cc1C	C85264331
PADEL_EStateFP9	OCCSCCCCCCCC	C3547339
PADEL_EStateFP9	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP9	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP9	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP9	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP9	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP9	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_EStateFP9	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP9	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP9	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP9	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP9	OC1CCCC1	C96413
PADEL_EStateFP9	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP9	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_EStateFP9	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP9	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP9	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP9	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP9	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP9	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP9	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP9	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_EStateFP9	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP9	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP9	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP9	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_EStateFP9	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP9	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP9	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP9	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP9	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP9	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP9	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP9	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_EStateFP9	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP9	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP9	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP9	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP9	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_EStateFP9	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP9	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP9	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_EStateFP9	OC(CCCCC)C=C	C3391864
PADEL_EStateFP9	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_EStateFP9	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_EStateFP9	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_EStateFP9	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP9	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP9	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP9	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_EStateFP9	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_EStateFP9	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP9	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_EStateFP9	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP9	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP9	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP9	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_EStateFP9	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_EStateFP9	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP9	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP9	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP9	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP9	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_EStateFP9	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_EStateFP9	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP9	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP9	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_EStateFP9	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP9	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP9	O=C(CC)OCC	C105373
PADEL_EStateFP9	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP9	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP9	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP9	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP9	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP9	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP9	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP9	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_EStateFP9	Nc1ccc(CCCCC)cc1	C33228443
PADEL_EStateFP9	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_EStateFP9	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP9	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_EStateFP9	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_EStateFP9	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_EStateFP9	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP9	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP9	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_EStateFP9	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP9	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP9	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_EStateFP9	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP9	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP9	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_EStateFP9	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_EStateFP9	CC(O)COCC	C1569024
PADEL_EStateFP9	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP9	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP9	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP9	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_EStateFP9	Oc1ccccc1CN(C)C	C120650
PADEL_EStateFP9	O=C1CCC(O1)CC	C695067
PADEL_EStateFP9	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP9	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP9	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP9	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP9	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP9	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP9	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP9	OC(CCCC(C)C)(C)C	C13254347
PADEL_EStateFP9	O=C/C=C/CCC	C6728263
PADEL_EStateFP9	O1C=CCCC1	C110872
PADEL_EStateFP9	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP9	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP9	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP9	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP9	OCC=Cc1ccccc1	C104541
PADEL_EStateFP9	CCC(c1ccccc1)CCC	C4468422
PADEL_EStateFP9	O=CCC/C=C\CCCCC	C21662099
PADEL_EStateFP9	O=c1ccoc(CC)c1O	C4940118
PADEL_EStateFP9	NCCCN1CCOCC1	C123002
PADEL_EStateFP9	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP9	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP9	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP9	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP9	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP9	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP9	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_EStateFP9	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP9	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP9	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP9	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_EStateFP9	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP9	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP9	OC1CC(C)(C)CC(C)C1	C116029
PADEL_EStateFP9	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP9	OP(OCC)OCC	C762049
PADEL_EStateFP9	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP9	c1(Cc2ccccc2)ccccc1	C101815
PADEL_EStateFP9	OCCOCC(CC)CCCC	C1559359
PADEL_EStateFP9	O=C(CC)CCCCC	C106683
PADEL_EStateFP9	OCCN(CC)CCO	C139877
PADEL_EStateFP9	CCOC(OCC)OCC	C122510
PADEL_EStateFP9	CCO[Si](OCC)(OCC)CC	C78079
PADEL_EStateFP9	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_EStateFP9	O=C(CF)O	C144490
PADEL_EStateFP9	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP9	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP9	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP9	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP9	c12ccccc1CC=C2	C95136
PADEL_EStateFP9	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_EStateFP9	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP9	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP9	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP9	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_EStateFP9	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP9	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP9	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP9	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP9	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_EStateFP9	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP9	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_EStateFP9	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP9	Oc1c(OCC)cccc1	C94713
PADEL_EStateFP9	COc1ccc(CCC)cc1	C104450
PADEL_EStateFP9	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP9	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_EStateFP9	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP9	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_EStateFP9	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP9	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_EStateFP9	OC(CO)c1ccccc1	C93561
PADEL_EStateFP9	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP9	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP9	CCO[Si](OCC)(C)OCC	C2031676
PADEL_EStateFP9	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_EStateFP9	CO[Si](OC)(CCC)OC	C1067250
PADEL_EStateFP9	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_EStateFP9	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP9	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP9	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP9	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP9	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_EStateFP9	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP9	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_EStateFP9	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_EStateFP9	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP9	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP9	NCCN.I.I	C5700492
PADEL_EStateFP9	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP9	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP9	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP9	OCC(CCCC)CCCCCC	C3913028
PADEL_EStateFP9	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP9	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP9	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_EStateFP9	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP9	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP9	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP9	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP9	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP9	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP9	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_EStateFP9	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_EStateFP9	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP9	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP9	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP9	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP9	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP9	Oc1ccc(CCCC)cc1	C1638228
PADEL_EStateFP9	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP9	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP9	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_EStateFP9	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_EStateFP9	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP9	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP9	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP9	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_EStateFP9	OCCOCC(C)OCCO	C9003116
PADEL_EStateFP9	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP9	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP9	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_EStateFP9	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP9	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_EStateFP9	Nc1ccc(CCC)cc1	C2696846
PADEL_EStateFP9	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_EStateFP9	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP9	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP9	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_EStateFP9	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP9	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_EStateFP9	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP9	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP9	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_EStateFP9	Clc1ccc(CCCC)cc1	C15499271
PADEL_EStateFP9	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_EStateFP9	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_EStateFP9	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP9	Nc1ccc(cc1)OCCCC	C4344552
PADEL_EStateFP9	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_EStateFP9	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP9	OC1CCC(CCCC)CC1	C70568604
PADEL_EStateFP9	Clc1ccc(CCCCC)cc1	C79098207
PADEL_EStateFP9	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP9	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP9	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_EStateFP9	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP9	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP9	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP9	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP9	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP9	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP9	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP9	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP9	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP9	S=C1NCCN1	C96457
PADEL_EStateFP9	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP9	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP9	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP9	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP9	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP9	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP9	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_EStateFP9	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP9	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_EStateFP9	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP9	c1ccccc1OCCO	C122996
PADEL_EStateFP9	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP9	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP9	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_EStateFP9	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP9	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP9	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP9	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP9	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP9	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP9	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP9	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP9	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP9	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP9	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP9	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP9	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP9	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_EStateFP9	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP9	ClCCP(=O)(O)O	C16672870
PADEL_EStateFP9	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP9	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP9	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP9	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP9	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP9	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP9	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP9	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_EStateFP9	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_EStateFP9	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP9	OCCOC	C109864
PADEL_EStateFP9	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP9	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP9	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP9	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_EStateFP9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP9	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP9	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_EStateFP9	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_EStateFP9	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP9	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP9	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP9	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP9	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP9	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP9	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP9	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP9	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_EStateFP9	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP9	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP9	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP9	C(SC#N)SC#N	C6317186
PADEL_EStateFP9	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP9	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP9	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_EStateFP9	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP9	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP9	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP9	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP9	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP9	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP9	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP9	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_EStateFP9	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP9	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP9	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP9	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP9	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP9	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP9	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP9	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP9	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP9	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP9	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP9	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP9	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP9	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP9	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP9	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP9	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_EStateFP9	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_EStateFP9	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP9	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP9	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP9	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP9	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP9	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP9	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP9	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP9	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP9	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP9	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP9	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP9	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP9	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP9	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_EStateFP9	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP9	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP9	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP9	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_EStateFP9	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_EStateFP9	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP9	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP9	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP9	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP9	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP9	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP9	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP9	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP9	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP9	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP9	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP9	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP9	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP9	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP9	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_EStateFP9	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP9	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP9	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP9	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP9	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP9	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP9	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP9	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP9	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP9	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP9	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP9	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_EStateFP9	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP9	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP9	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP9	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP9	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP9	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP9	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP9	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP9	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP9	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP9	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP9	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP9	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP9	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP9	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP9	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP9	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP9	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP9	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP9	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_EStateFP9	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP9	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP9	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP9	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP9	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP9	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP9	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP9	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP9	OCc1ccccc1	C100516
PADEL_EStateFP9	OCC(CO)(CBr)CBr	C3296900
PADEL_EStateFP9	ClCCOCCCl	C111444
PADEL_EStateFP9	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP9	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP9	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_EStateFP9	O=C1CCCO1	C96480
PADEL_EStateFP9	O=C1CCCCCN1	C105602
PADEL_EStateFP9	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP9	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP9	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP9	O=C(c1ccccc1)CCl	C532274
PADEL_EStateFP9	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP9	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP9	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP9	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP9	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP9	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP9	OCCOCCO	C111466
PADEL_EStateFP9	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP9	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP9	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP9	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP9	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP9	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP9	C(CO)O	C107211
PADEL_EStateFP9	O1C2C1CCC(C2)C1CO1	C106876
PADEL_EStateFP9	CCC(CCCC)CO	C104767
PADEL_EStateFP9	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP9	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP9	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_EStateFP9	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP9	OCC(O)CO	C56815
PADEL_EStateFP9	OCC1CO1	C556525
PADEL_EStateFP9	C1N2CN3CN(C2)CN1C3	C100970
PADEL_EStateFP9	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_EStateFP9	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP9	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP9	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP9	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP9	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP9	O=C1N(CCC1)C	C872504
PADEL_EStateFP9	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP9	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_EStateFP9	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_EStateFP9	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_EStateFP9	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_EStateFP9	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP9	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP9	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP9	CCN(CC)N=O	C55185
PADEL_EStateFP9	O=NN(CCC)CCC	C621647
PADEL_EStateFP9	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP9	C1CNCCN1	C110850
PADEL_EStateFP9	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP9	O=S1(=O)CCCO1	C1120714
PADEL_EStateFP9	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP9	CC(CO)O	C57556
PADEL_EStateFP9	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_EStateFP9	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_EStateFP9	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP9	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP9	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP9	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_EStateFP9	C1C(c2ccccc2)O1	C96093
PADEL_EStateFP9	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_EStateFP9	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP9	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP9	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP9	OCCN(CCO)CCO	C102716
PADEL_EStateFP9	OCCOCCOCCO	C112276
PADEL_EStateFP9	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_EStateFP9	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP9	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP9	NC(=O)OCC	C51796
PADEL_EStateFP9	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP9	OC(=O)CCC	C107926
PADEL_EStateFP9	CCCCOCCOCCO	C112345
PADEL_EStateFP9	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP9	O=C(O)CCCCCC	C111148
PADEL_EStateFP9	OC(=O)CCCCC(=O)O	C124049
PADEL_EStateFP9	CCCCCC(=O)O	C142621
PADEL_EStateFP9	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP9	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP9	CCCCCCCC=O	C124130
PADEL_EStateFP9	CCCCCCCC(=O)O	C124072
PADEL_EStateFP9	CCCCC=O	C110623
PADEL_EStateFP9	CCCCCCCCCCC	C1120214
PADEL_EStateFP9	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_EStateFP9	c1ccc2cccc3c2c1CC3	C83329
PADEL_EStateFP9	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP9	CCN(CC)c1ccccc1	C91667
PADEL_EStateFP9	CCC(=NO)C	C96297
PADEL_EStateFP9	CCN(CCO)CC	C100378
PADEL_EStateFP9	CCNc1cc(C)ccc1	C102272
PADEL_EStateFP9	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP9	ClCCO	C107073
PADEL_EStateFP9	CC(=O)OCCOCC	C111159
PADEL_EStateFP9	OCCNCCO	C111422
PADEL_EStateFP9	N#CCCCCC#N	C111693
PADEL_EStateFP9	CCCCCCCCO	C111875
PADEL_EStateFP9	CCOCCOCCO	C111900
PADEL_EStateFP9	CCCCCCCCCCO	C112301
PADEL_EStateFP9	CCCCCCCCCCCCCO	C112709
PADEL_EStateFP9	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP9	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_EStateFP9	OCCN	C141435
PADEL_EStateFP9	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP9	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_EStateFP9	c1(c(O)cccc1)C(CC)C	C89725
PADEL_EStateFP9	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_EStateFP9	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_EStateFP9	c1(CCCC)ccccc1	C104518
PADEL_EStateFP9	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP9	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP9	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP9	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP9	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP9	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP9	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_EStateFP9	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_EStateFP9	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP9	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP9	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_EStateFP9	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_EStateFP9	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP9	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP9	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP9	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP9	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP9	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP9	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP9	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP9	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP9	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP9	NC1CCCCC1	C108918
PADEL_EStateFP9	O=S(=O)(OCC)OCC	C64675
PADEL_EStateFP9	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP9	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP9	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP9	CCOCCO	C110805
PADEL_EStateFP9	CCCCOCCO	C111762
PADEL_EStateFP9	c1cccc2Cc3ccccc3c12	C86737
PADEL_EStateFP9	O=C=NCCCCCCN=C=O	C822060
PADEL_EStateFP9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP9	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP9	OCCOCCOCCOCC	C112505
PADEL_EStateFP9	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP9	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_EStateFP9	O(CCOC)CCOC	C111966
PADEL_EStateFP9	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_EStateFP9	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP9	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP9	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP9	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP9	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_EStateFP9	C(CCCCCCCC)C	C124185
PADEL_EStateFP9	OC(CCl)CCl	C96231
PADEL_EStateFP9	O(CCOC)CCO	C111773
PADEL_EStateFP9	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP9	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP9	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_EStateFP9	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP9	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_EStateFP9	N(c1ccccc1)CC	C103695
PADEL_EStateFP9	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP9	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP9	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_EStateFP9	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP9	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP9	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP9	O=c1ccsn1CCCCCCCC	C26530201
PADEL_EStateFP9	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_EStateFP9	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP9	N(CCCC)(CCCC)CCCC	C102829
PADEL_EStateFP9	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP9	C(OCCOC)COCCOC	C112492
PADEL_EStateFP9	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP9	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_EStateFP9	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP9	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP9	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP9	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP9	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP9	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP9	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP9	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP9	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP9	OCCC(O)C	C107880
PADEL_EStateFP9	OC(CC(C)C)C	C108112
PADEL_EStateFP9	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP9	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP9	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_EStateFP9	OCCOCCCCCC	C112254
PADEL_EStateFP9	OCCCCCCCCCCC	C112425
PADEL_EStateFP9	OCCCCCCCCCCCC	C112538
PADEL_EStateFP9	OCCCCCCCCCCCCCC	C112721
PADEL_EStateFP9	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP9	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_EStateFP9	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_EStateFP9	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_EStateFP9	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP9	CCCCCCCCCCCCCCCC	C544763
PADEL_EStateFP9	Nc1c(CC)cccc1CC	C579668
PADEL_EStateFP9	O=C(C)OCCCCC	C628637
PADEL_EStateFP9	CCCCCCCCCCCCCCC	C629629
PADEL_EStateFP9	OCCCCCCCCCCCCCCC	C629765
PADEL_EStateFP9	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP9	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_EStateFP9	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP9	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_EStateFP9	C1=CCCC=CCCC=CCC1	C4904614
PADEL_EStateFP9	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_EStateFP9	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP9	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP9	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP9	OC(OC(O)CC)CC	C25265718
PADEL_EStateFP9	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_EStateFP9	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP9	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP9	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP9	OC(OCCCOC)CC	C34590948
PADEL_EStateFP9	OCCCCCCCCCCCCCCCC	C36653824
PADEL_EStateFP9	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP9	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP9	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP9	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP9	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_EStateFP9	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_EStateFP9	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_EStateFP9	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP9	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_EStateFP9	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP9	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_EStateFP9	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_EStateFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP9	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP9	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP9	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP9	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP9	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP9	CCCCCCCCN(C)C	C7378996
PADEL_EStateFP9	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP9	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP9	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP9	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP9	O=C(CCC)OCC	C105544
PADEL_EStateFP9	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP9	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP9	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP9	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP9	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP9	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP9	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP9	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP9	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP9	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP9	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP9	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_EStateFP9	CCCc1ccccc1	C103651
PADEL_EStateFP9	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_EStateFP9	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_EStateFP9	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP9	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP9	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP9	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP9	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP9	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_EStateFP9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_EStateFP9	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_EStateFP9	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_EStateFP9	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP9	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP9	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP9	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP9	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP9	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP9	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP9	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP9	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP9	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP9	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP9	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP9	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP9	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP9	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_EStateFP9	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP9	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP9	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP9	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP9	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP9	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP9	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP9	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP9	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP9	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP9	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP9	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP9	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP9	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP9	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP9	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_EStateFP9	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP9	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP9	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP9	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP9	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_EStateFP9	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP9	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP9	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP9	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP9	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP9	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP9	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP9	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP9	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP9	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP9	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP9	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP9	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP9	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP9	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP9	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP9	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP9	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP9	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP9	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP9	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_EStateFP9	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP9	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP9	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP9	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP9	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP9	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_EStateFP9	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP9	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP9	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP9	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP9	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP9	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP9	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP9	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP9	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP9	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP9	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP9	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP9	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP9	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP9	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP9	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP9	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP9	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP9	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP9	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP9	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP9	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP9	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP9	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP9	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP9	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP9	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP9	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP9	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP9	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP9	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP9	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP9	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP9	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP9	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP9	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP9	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP9	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP9	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP9	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP9	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_EStateFP9	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP9	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP9	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP9	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP9	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP9	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP9	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP9	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_EStateFP9	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP9	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP9	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_EStateFP9	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP9	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP9	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_EStateFP9	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP9	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_EStateFP9	C=CCCCCCCCCCCCC	C1120361
PADEL_EStateFP9	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP9	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP9	OC(C(CC)CCCC)C#C	C5877429
PADEL_EStateFP9	OCCCBr	C627189
PADEL_EStateFP9	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_EStateFP9	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP9	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_EStateFP9	C(CO)C(C)C	C123513
PADEL_EStateFP9	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP9	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP9	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP9	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP9	NCCOCCOCCN	C929599
PADEL_EStateFP9	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_EStateFP9	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_EStateFP9	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP9	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP9	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP9	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP9	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP9	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP9	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP9	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP9	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP9	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP9	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP9	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP9	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP9	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP9	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_EStateFP9	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP9	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP9	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP9	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP9	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP9	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP9	OCCC(OC)C	C2517433
PADEL_EStateFP9	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP9	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP9	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP9	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP9	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP9	O=COCC	C109944
PADEL_EStateFP9	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP9	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_EStateFP9	NCc1cccc(CN)c1	C1477550
PADEL_EStateFP9	O=CCCSC	C3268493
PADEL_EStateFP9	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP9	N(CCN(C)C)(C)C	C110189
PADEL_EStateFP9	CCN(CC)CC	C121448
PADEL_EStateFP9	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP9	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP9	CC(=O)OCC	C141786
PADEL_EStateFP9	CC(=O)OCCCC	C123864
PADEL_EStateFP9	CC(=O)CCC(C)C	C110123
PADEL_EStateFP9	CC(=O)CC(C)C	C108101
PADEL_EStateFP9	NCCN	C107153
PADEL_EStateFP9	CCCCCC=O	C66251
PADEL_EStateFP9	CCCC=O	C123728
PADEL_EStateFP9	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP9	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP9	CCC1CO1	C106887
PADEL_EStateFP9	CC1CC(=O)O1	C3068880
PADEL_EStateFP9	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP9	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP9	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP9	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP9	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP9	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_EStateFP9	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP9	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_EStateFP9	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP9	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_EStateFP9	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP9	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP9	O=C(CCl)CCl	C534076
PADEL_EStateFP9	CC(c1ccc(CO)cc1)C	C536607
PADEL_EStateFP9	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP9	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP9	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP9	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP9	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP9	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP9	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP9	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP9	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP9	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP9	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP9	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_EStateFP9	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_EStateFP9	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_EStateFP9	O=CC=CC=CCCCCC	C25152845
PADEL_EStateFP9	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_EStateFP9	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP9	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP9	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_EStateFP9	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP9	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP9	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP9	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP9	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP9	OCC=C(C)C	C556821
PADEL_EStateFP9	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP9	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_EStateFP9	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP9	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP9	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP9	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP9	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP9	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP9	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP9	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_EStateFP9	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP9	OCc1c[nH]c2c1cccc2	C700061
PADEL_EStateFP9	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_EStateFP9	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP9	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_EStateFP9	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP9	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_EStateFP9	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP9	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP9	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP9	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP9	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP9	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP9	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP9	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP9	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP9	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP9	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP9	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP9	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP9	O=CCCCCCCCCC=C	C112458
PADEL_EStateFP9	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_EStateFP9	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP9	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP9	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP9	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP9	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP9	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP9	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP9	Br[Sn](CC)(CC)CC	C2767546
PADEL_EStateFP9	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP9	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_EStateFP9	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP9	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP9	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_EStateFP9	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP9	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP9	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_EStateFP9	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP9	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_EStateFP9	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP9	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP9	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP9	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP9	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_EStateFP9	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_EStateFP9	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_EStateFP9	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP9	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP9	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP9	N#CSCCCCCCCCCCCC	C765151
PADEL_EStateFP9	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_EStateFP9	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP9	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP9	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_EStateFP9	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP9	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP9	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_EStateFP9	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP9	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_EStateFP9	O=CN1CCCCC1	C2591868
PADEL_EStateFP9	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP9	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_EStateFP9	CCCCCCCCCCCCN.Cl	C929737
PADEL_EStateFP9	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_EStateFP9	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_EStateFP9	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP9	BrCCCCCCCCCCCC	C143157
PADEL_EStateFP9	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP9	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP9	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_EStateFP9	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP9	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_EStateFP9	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP9	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP9	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP9	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP9	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP9	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_EStateFP9	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP9	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP9	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP9	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_EStateFP9	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP9	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP9	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_EStateFP9	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP9	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP9	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP9	NCCCOCCCCCCCC	C15930662
PADEL_EStateFP9	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP9	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_EStateFP9	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_EStateFP9	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_EStateFP9	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP9	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP9	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP9	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP9	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP9	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_EStateFP9	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP9	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_EStateFP9	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_EStateFP9	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP9	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP9	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP9	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP9	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP9	O=C/C=C/CCCCCCC	C3913813
PADEL_EStateFP9	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP9	SC1CCCC1	C1679078
PADEL_EStateFP9	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP9	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_EStateFP9	S=C=NCCCSC	C505793
PADEL_EStateFP9	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP9	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP9	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP9	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_EStateFP9	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP9	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP9	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP9	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP9	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP9	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP9	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP9	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP9	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP9	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP9	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP9	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP9	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_EStateFP9	CCCCCCCCCC(C)C=O	C110418
PADEL_EStateFP9	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP9	CCCCCc1ccco1	C3777693
PADEL_EStateFP9	CCC(=O)C(=O)CC	C4437518
PADEL_EStateFP9	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_EStateFP9	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP10	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_EStateFP10	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP10	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP10	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP10	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP10	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP10	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP10	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP10	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP10	OC(C(CC)CCCC)C#C	C5877429
PADEL_EStateFP10	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP10	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP10	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP10	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP11	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP11	C=CC#N	C107131
PADEL_EStateFP11	C=CCO	C107186
PADEL_EStateFP11	C=CCN=C=S	C57067
PADEL_EStateFP11	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP11	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP11	O=CCCl	C107200
PADEL_EStateFP11	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP11	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP11	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP11	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP11	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP11	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP11	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP11	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP11	C=Cc1ccc(cc1)C	C622979
PADEL_EStateFP11	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP11	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP11	O=CCc1ccccc1	C122781
PADEL_EStateFP11	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP11	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP11	CCCCCCCCCC=O	C112312
PADEL_EStateFP11	O=CCCCCCC	C111717
PADEL_EStateFP11	CCCCCCCCC=O	C124196
PADEL_EStateFP11	O=Cc1ccccc1O	C90028
PADEL_EStateFP11	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP11	C=CC(Cl)CCl	C760236
PADEL_EStateFP11	C=CC(=O)OCCO	C818611
PADEL_EStateFP11	CC/C=C\CCO	C928961
PADEL_EStateFP11	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP11	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_EStateFP11	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP11	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP11	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP11	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP11	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP11	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP11	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP11	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP11	Cl/C=C/Cl	C156605
PADEL_EStateFP11	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP11	ON=CCCC	C110690
PADEL_EStateFP11	O=C(OCCCC)C=C	C141322
PADEL_EStateFP11	O=C/C=C/c1ccccc1	C14371109
PADEL_EStateFP11	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_EStateFP11	C=Cc1ccccc1C=C	C1321740
PADEL_EStateFP11	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP11	C(CC)(C=O)CCCC	C123057
PADEL_EStateFP11	CCC(=CCCC)C=O	C645625
PADEL_EStateFP11	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP11	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP11	O=CCCCC=O	C111308
PADEL_EStateFP11	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP11	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP11	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP11	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP11	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP11	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP11	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP11	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_EStateFP11	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP11	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP11	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP11	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP11	O=Cc1ccc(OC)cc1	C123115
PADEL_EStateFP11	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP11	C1=CC=CC1	C542927
PADEL_EStateFP11	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP11	O=COC(C)C	C625558
PADEL_EStateFP11	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP11	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_EStateFP11	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP11	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP11	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP11	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP11	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP11	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP11	O=C(C=C(C)C)C	C141797
PADEL_EStateFP11	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP11	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP11	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP11	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP11	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP11	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP11	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP11	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP11	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP11	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP11	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP11	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP11	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP11	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP11	OC(CCCCC)C=C	C3391864
PADEL_EStateFP11	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_EStateFP11	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP11	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP11	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP11	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_EStateFP11	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP11	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP11	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP11	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_EStateFP11	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP11	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP11	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP11	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP11	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP11	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP11	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP11	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP11	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP11	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP11	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP11	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP11	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP11	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP11	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP11	O=C/C=C/CCC	C6728263
PADEL_EStateFP11	O1C=CCCC1	C110872
PADEL_EStateFP11	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP11	OCC=Cc1ccccc1	C104541
PADEL_EStateFP11	O=CCC/C=C\CCCCC	C21662099
PADEL_EStateFP11	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP11	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP11	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP11	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_EStateFP11	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_EStateFP11	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP11	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP11	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP11	c12ccccc1CC=C2	C95136
PADEL_EStateFP11	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP11	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP11	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP11	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP11	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP11	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP11	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP11	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP11	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP11	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP11	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP11	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP11	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP11	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP11	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP11	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP11	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP11	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP11	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP11	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP11	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP11	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP11	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP11	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP11	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP11	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP11	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP11	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP11	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP11	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP11	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP11	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP11	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP11	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP11	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP11	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP11	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP11	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP11	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP11	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP11	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP11	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP11	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP11	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP11	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP11	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP11	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP11	NC(=O)C=C	C79061
PADEL_EStateFP11	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP11	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_EStateFP11	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP11	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP11	CN(C=O)C	C68122
PADEL_EStateFP11	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP11	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP11	O=Cc1ccco1	C98011
PADEL_EStateFP11	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP11	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP11	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP11	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP11	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP11	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP11	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP11	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP11	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP11	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP11	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_EStateFP11	OC(=O)C=CC=CC	C110441
PADEL_EStateFP11	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP11	CCCCCCCC=O	C124130
PADEL_EStateFP11	CCCCC=O	C110623
PADEL_EStateFP11	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP11	Oc1ccc(C=CC)cc1OC	C97541
PADEL_EStateFP11	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP11	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP11	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP11	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP11	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_EStateFP11	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP11	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP11	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP11	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP11	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP11	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP11	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP11	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP11	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP11	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP11	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP11	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP11	C1=CCCC=CCCC=CCC1	C4904614
PADEL_EStateFP11	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP11	O=Cc1ccccc1C=O	C643798
PADEL_EStateFP11	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP11	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP11	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP11	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP11	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP11	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP11	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP11	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP11	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP11	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP11	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP11	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP11	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP11	C=CCCCCCCCCCCCC	C1120361
PADEL_EStateFP11	C(=O)N	C75127
PADEL_EStateFP11	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP11	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP11	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP11	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP11	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP11	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP11	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP11	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP11	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP11	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP11	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP11	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP11	O=COCC	C109944
PADEL_EStateFP11	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_EStateFP11	O=CCCSC	C3268493
PADEL_EStateFP11	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP11	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP11	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP11	CC(C)C=O	C78842
PADEL_EStateFP11	CCCCCC=O	C66251
PADEL_EStateFP11	CCCC=O	C123728
PADEL_EStateFP11	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP11	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP11	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP11	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP11	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP11	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP11	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP11	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP11	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_EStateFP11	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP11	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP11	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP11	O=CC=CC=CCCCCC	C25152845
PADEL_EStateFP11	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP11	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP11	OCC=C(C)C	C556821
PADEL_EStateFP11	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP11	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP11	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP11	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP11	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_EStateFP11	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP11	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP11	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP11	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP11	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP11	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP11	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP11	O=CCCCCCCCCC=C	C112458
PADEL_EStateFP11	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP11	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP11	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP11	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP11	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP11	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP11	O=CN1CCCCC1	C2591868
PADEL_EStateFP11	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP11	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP11	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP11	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP11	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP11	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP11	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP11	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP11	O=C/C=C/CCCCCCC	C3913813
PADEL_EStateFP11	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP11	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP11	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP11	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP11	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP11	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP11	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP11	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP11	CCCCCCCCCC(C)C=O	C110418
PADEL_EStateFP11	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP12	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP12	C=CC#N	C107131
PADEL_EStateFP12	C=CCO	C107186
PADEL_EStateFP12	C=CCN=C=S	C57067
PADEL_EStateFP12	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP12	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP12	O=CCCl	C107200
PADEL_EStateFP12	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP12	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP12	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP12	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP12	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP12	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP12	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP12	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP12	C=Cc1ccc(cc1)C	C622979
PADEL_EStateFP12	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP12	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP12	O=CCc1ccccc1	C122781
PADEL_EStateFP12	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP12	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP12	CCCCCCCCCC=O	C112312
PADEL_EStateFP12	O=CCCCCCC	C111717
PADEL_EStateFP12	CCCCCCCCC=O	C124196
PADEL_EStateFP12	O=Cc1ccccc1O	C90028
PADEL_EStateFP12	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP12	C=CC(Cl)CCl	C760236
PADEL_EStateFP12	C=CC(=O)OCCO	C818611
PADEL_EStateFP12	CC/C=C\CCO	C928961
PADEL_EStateFP12	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP12	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_EStateFP12	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP12	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP12	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP12	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP12	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP12	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP12	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP12	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP12	Cl/C=C/Cl	C156605
PADEL_EStateFP12	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP12	ON=CCCC	C110690
PADEL_EStateFP12	O=C(OCCCC)C=C	C141322
PADEL_EStateFP12	O=C/C=C/c1ccccc1	C14371109
PADEL_EStateFP12	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_EStateFP12	C=Cc1ccccc1C=C	C1321740
PADEL_EStateFP12	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP12	C(CC)(C=O)CCCC	C123057
PADEL_EStateFP12	CCC(=CCCC)C=O	C645625
PADEL_EStateFP12	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP12	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP12	O=CCCCC=O	C111308
PADEL_EStateFP12	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP12	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP12	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP12	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP12	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP12	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP12	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP12	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_EStateFP12	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP12	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP12	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP12	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP12	O=Cc1ccc(OC)cc1	C123115
PADEL_EStateFP12	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP12	C1=CC=CC1	C542927
PADEL_EStateFP12	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP12	O=COC(C)C	C625558
PADEL_EStateFP12	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP12	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_EStateFP12	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP12	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP12	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP12	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP12	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP12	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP12	O=C(C=C(C)C)C	C141797
PADEL_EStateFP12	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP12	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP12	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP12	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP12	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP12	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP12	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP12	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP12	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP12	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP12	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP12	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP12	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP12	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP12	OC(CCCCC)C=C	C3391864
PADEL_EStateFP12	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_EStateFP12	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP12	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP12	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP12	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_EStateFP12	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP12	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP12	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP12	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_EStateFP12	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP12	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP12	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP12	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP12	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP12	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP12	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP12	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP12	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP12	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP12	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP12	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP12	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP12	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP12	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP12	O=C/C=C/CCC	C6728263
PADEL_EStateFP12	O1C=CCCC1	C110872
PADEL_EStateFP12	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP12	OCC=Cc1ccccc1	C104541
PADEL_EStateFP12	O=CCC/C=C\CCCCC	C21662099
PADEL_EStateFP12	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP12	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP12	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP12	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_EStateFP12	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_EStateFP12	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP12	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP12	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP12	c12ccccc1CC=C2	C95136
PADEL_EStateFP12	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP12	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP12	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP12	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP12	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP12	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP12	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP12	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP12	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP12	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP12	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP12	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP12	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP12	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP12	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP12	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP12	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP12	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP12	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP12	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP12	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP12	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP12	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP12	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP12	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP12	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP12	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP12	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP12	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP12	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP12	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP12	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP12	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP12	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP12	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP12	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP12	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP12	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP12	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP12	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP12	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP12	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP12	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP12	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP12	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP12	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP12	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP12	NC(=O)C=C	C79061
PADEL_EStateFP12	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP12	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_EStateFP12	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP12	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP12	CN(C=O)C	C68122
PADEL_EStateFP12	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP12	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP12	O=Cc1ccco1	C98011
PADEL_EStateFP12	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP12	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP12	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP12	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP12	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP12	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP12	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP12	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP12	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP12	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP12	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_EStateFP12	OC(=O)C=CC=CC	C110441
PADEL_EStateFP12	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP12	CCCCCCCC=O	C124130
PADEL_EStateFP12	CCCCC=O	C110623
PADEL_EStateFP12	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP12	Oc1ccc(C=CC)cc1OC	C97541
PADEL_EStateFP12	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP12	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP12	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP12	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP12	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_EStateFP12	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP12	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP12	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP12	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP12	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP12	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP12	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP12	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP12	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP12	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP12	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP12	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP12	C1=CCCC=CCCC=CCC1	C4904614
PADEL_EStateFP12	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP12	O=Cc1ccccc1C=O	C643798
PADEL_EStateFP12	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP12	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP12	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP12	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP12	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP12	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP12	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP12	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP12	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP12	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP12	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP12	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP12	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP12	C=CCCCCCCCCCCCC	C1120361
PADEL_EStateFP12	C(=O)N	C75127
PADEL_EStateFP12	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP12	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP12	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP12	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP12	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP12	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP12	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP12	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP12	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP12	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP12	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP12	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP12	O=COCC	C109944
PADEL_EStateFP12	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_EStateFP12	O=CCCSC	C3268493
PADEL_EStateFP12	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP12	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP12	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP12	CC(C)C=O	C78842
PADEL_EStateFP12	CCCCCC=O	C66251
PADEL_EStateFP12	CCCC=O	C123728
PADEL_EStateFP12	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP12	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP12	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP12	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP12	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP12	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP12	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP12	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP12	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_EStateFP12	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP12	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP12	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP12	O=CC=CC=CCCCCC	C25152845
PADEL_EStateFP12	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP12	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP12	OCC=C(C)C	C556821
PADEL_EStateFP12	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP12	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP12	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP12	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP12	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_EStateFP12	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP12	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP12	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP12	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP12	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP12	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP12	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP12	O=CCCCCCCCCC=C	C112458
PADEL_EStateFP12	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP12	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP12	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP12	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP12	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP12	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP12	O=CN1CCCCC1	C2591868
PADEL_EStateFP12	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP12	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP12	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP12	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP12	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP12	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP12	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP12	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP12	O=C/C=C/CCCCCCC	C3913813
PADEL_EStateFP12	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP12	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP12	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP12	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP12	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP12	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP12	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP12	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP12	CCCCCCCCCC(C)C=O	C110418
PADEL_EStateFP12	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP13	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP13	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP13	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_EStateFP13	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_EStateFP13	CC(CNCC(C)O)O	C110974
PADEL_EStateFP13	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP13	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP13	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_EStateFP13	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP13	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_EStateFP13	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_EStateFP13	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP13	OC(CO)CCl	C96242
PADEL_EStateFP13	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP13	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_EStateFP13	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_EStateFP13	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP13	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP13	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP13	ClCC(Cl)CCl	C96184
PADEL_EStateFP13	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP13	OC(C)CN	C78966
PADEL_EStateFP13	CC(O)CC(C)(C)O	C107415
PADEL_EStateFP13	C1CCCCC1O	C108930
PADEL_EStateFP13	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP13	C=CC(Cl)CCl	C760236
PADEL_EStateFP13	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_EStateFP13	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_EStateFP13	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_EStateFP13	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP13	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP13	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP13	C(=O)(O)C(C)O	C50215
PADEL_EStateFP13	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_EStateFP13	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_EStateFP13	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_EStateFP13	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP13	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP13	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP13	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP13	CC(O)COC	C107982
PADEL_EStateFP13	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_EStateFP13	C(OCCCC)C1CO1	C2426086
PADEL_EStateFP13	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP13	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_EStateFP13	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP13	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_EStateFP13	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP13	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP13	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP13	C(CC)(C=O)CCCC	C123057
PADEL_EStateFP13	OCC(C(O)CCC)CC	C94962
PADEL_EStateFP13	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP13	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP13	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP13	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP13	N#CC(CCC#N)C	C4553622
PADEL_EStateFP13	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP13	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP13	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP13	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP13	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP13	N#CC(C)C	C78820
PADEL_EStateFP13	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP13	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP13	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP13	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP13	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP13	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_EStateFP13	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP13	O=C1OCC(C)O1	C108327
PADEL_EStateFP13	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP13	OC(CCCCCC)C	C123966
PADEL_EStateFP13	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP13	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP13	O=COC(C)C	C625558
PADEL_EStateFP13	OC(C)COc1ccccc1	C770354
PADEL_EStateFP13	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP13	OC1CCCCCCCCCCC1	C1724396
PADEL_EStateFP13	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP13	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP13	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_EStateFP13	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP13	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP13	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP13	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP13	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_EStateFP13	CC(CO)O	C25322694
PADEL_EStateFP13	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP13	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_EStateFP13	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_EStateFP13	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP13	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP13	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP13	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP13	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_EStateFP13	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_EStateFP13	OC(CCCC(C)C)(C)CC	C78693
PADEL_EStateFP13	OCC1OCCC1	C97994
PADEL_EStateFP13	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_EStateFP13	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP13	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP13	OC(C)COCCC	C1569013
PADEL_EStateFP13	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_EStateFP13	OCC(CCC)CCCCC	C10042598
PADEL_EStateFP13	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP13	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP13	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP13	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP13	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP13	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP13	OC1CC(CCC1C(C)C)C	C1490046
PADEL_EStateFP13	OCCC(C)CC(C)(C)C	C3452979
PADEL_EStateFP13	OC(OCCCC)CC	C29387868
PADEL_EStateFP13	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP13	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP13	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_EStateFP13	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP13	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP13	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP13	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP13	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP13	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP13	OC1CCCC1	C96413
PADEL_EStateFP13	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP13	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP13	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_EStateFP13	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP13	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP13	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_EStateFP13	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP13	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP13	OC(CCCCC)C=C	C3391864
PADEL_EStateFP13	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_EStateFP13	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP13	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_EStateFP13	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_EStateFP13	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP13	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP13	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP13	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP13	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP13	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP13	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP13	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_EStateFP13	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_EStateFP13	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_EStateFP13	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP13	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP13	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP13	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP13	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_EStateFP13	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP13	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP13	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_EStateFP13	CC(O)COCC	C1569024
PADEL_EStateFP13	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP13	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP13	O=C1CCC(O1)CC	C695067
PADEL_EStateFP13	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP13	OC(CCCC(C)C)(C)C	C13254347
PADEL_EStateFP13	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP13	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP13	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP13	CCC(c1ccccc1)CCC	C4468422
PADEL_EStateFP13	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP13	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP13	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP13	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP13	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP13	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP13	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_EStateFP13	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP13	OC1CC(C)(C)CC(C)C1	C116029
PADEL_EStateFP13	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP13	OCCOCC(CC)CCCC	C1559359
PADEL_EStateFP13	CCOC(OCC)OCC	C122510
PADEL_EStateFP13	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_EStateFP13	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP13	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP13	Oc1cc(C(C)C)ccc1C	C499752
PADEL_EStateFP13	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_EStateFP13	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP13	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP13	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_EStateFP13	Oc1ccc(C(C)C)cc1	C99898
PADEL_EStateFP13	OC(CO)c1ccccc1	C93561
PADEL_EStateFP13	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP13	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP13	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_EStateFP13	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP13	Oc1c(C(C)C)cccc1	C88697
PADEL_EStateFP13	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP13	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_EStateFP13	Oc1cc(C(C)C)ccc1	C618451
PADEL_EStateFP13	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP13	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP13	OCC(CCCC)CCCCCC	C3913028
PADEL_EStateFP13	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP13	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP13	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP13	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP13	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP13	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP13	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP13	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP13	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP13	OCCOCC(C)OCCO	C9003116
PADEL_EStateFP13	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP13	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_EStateFP13	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_EStateFP13	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_EStateFP13	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP13	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP13	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_EStateFP13	O=C(c1ccccc1)C(C)C	C611701
PADEL_EStateFP13	OC1CCC(CCCC)CC1	C70568604
PADEL_EStateFP13	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP13	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP13	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP13	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP13	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP13	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP13	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP13	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP13	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP13	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP13	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_EStateFP13	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP13	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP13	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_EStateFP13	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP13	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP13	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_EStateFP13	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_EStateFP13	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP13	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP13	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP13	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP13	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP13	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP13	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP13	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_EStateFP13	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP13	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP13	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP13	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP13	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP13	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP13	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP13	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP13	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP13	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP13	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP13	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP13	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_EStateFP13	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_EStateFP13	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_EStateFP13	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP13	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP13	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP13	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP13	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP13	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP13	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP13	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP13	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP13	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP13	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP13	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_EStateFP13	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP13	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP13	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP13	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP13	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP13	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP13	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP13	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP13	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP13	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP13	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP13	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP13	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP13	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP13	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_EStateFP13	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP13	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_EStateFP13	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP13	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP13	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP13	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP13	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP13	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP13	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP13	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP13	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_EStateFP13	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP13	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP13	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP13	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP13	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP13	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP13	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP13	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP13	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP13	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP13	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP13	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP13	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP13	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP13	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP13	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP13	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP13	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_EStateFP13	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP13	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP13	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_EStateFP13	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_EStateFP13	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP13	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP13	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP13	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP13	O1C2C1CCC(C2)C1CO1	C106876
PADEL_EStateFP13	CCC(CCCC)CO	C104767
PADEL_EStateFP13	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP13	OCC(O)CO	C56815
PADEL_EStateFP13	OCC1CO1	C556525
PADEL_EStateFP13	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP13	CC(CO)O	C57556
PADEL_EStateFP13	C1C(c2ccccc2)O1	C96093
PADEL_EStateFP13	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP13	c1(c(O)cccc1)C(CC)C	C89725
PADEL_EStateFP13	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_EStateFP13	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP13	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP13	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP13	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP13	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP13	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP13	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP13	NC1CCCCC1	C108918
PADEL_EStateFP13	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_EStateFP13	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP13	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP13	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP13	OC(CCl)CCl	C96231
PADEL_EStateFP13	c1(ccccc1)C(Cl)Cl	C98873
PADEL_EStateFP13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_EStateFP13	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP13	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP13	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_EStateFP13	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP13	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_EStateFP13	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP13	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP13	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_EStateFP13	CC(C)c1ccc(C)cc1	C99876
PADEL_EStateFP13	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP13	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP13	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP13	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP13	OCCC(O)C	C107880
PADEL_EStateFP13	OC(CC(C)C)C	C108112
PADEL_EStateFP13	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_EStateFP13	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP13	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP13	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP13	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP13	OC(OC(O)CC)CC	C25265718
PADEL_EStateFP13	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_EStateFP13	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP13	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP13	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP13	OC(OCCCOC)CC	C34590948
PADEL_EStateFP13	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP13	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP13	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_EStateFP13	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP13	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP13	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP13	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP13	Oc1cc(C)ccc1C(C)C	C89838
PADEL_EStateFP13	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP13	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP13	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP13	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP13	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP13	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP13	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_EStateFP13	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP13	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP13	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP13	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP13	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP13	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP13	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP13	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP13	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP13	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP13	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP13	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_EStateFP13	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP13	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP13	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP13	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP13	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_EStateFP13	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP13	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP13	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP13	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP13	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP13	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP13	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP13	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP13	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP13	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP13	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP13	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP13	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP13	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP13	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP13	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP13	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP13	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP13	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP13	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP13	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP13	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP13	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP13	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP13	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP13	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP13	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_EStateFP13	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP13	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP13	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP13	OC(C(CC)CCCC)C#C	C5877429
PADEL_EStateFP13	N#CC(Br)Br	C3252435
PADEL_EStateFP13	C(CO)C(C)C	C123513
PADEL_EStateFP13	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP13	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP13	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP13	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP13	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP13	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP13	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP13	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP13	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP13	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP13	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP13	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP13	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP13	OCCC(OC)C	C2517433
PADEL_EStateFP13	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP13	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP13	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP13	CC(=O)CCC(C)C	C110123
PADEL_EStateFP13	CC(=O)CC(C)C	C108101
PADEL_EStateFP13	CC(C)C=O	C78842
PADEL_EStateFP13	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP13	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP13	CCC1CO1	C106887
PADEL_EStateFP13	CC1CC(=O)O1	C3068880
PADEL_EStateFP13	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP13	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP13	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP13	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP13	CC(c1ccc(CO)cc1)C	C536607
PADEL_EStateFP13	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP13	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP13	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP13	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP13	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP13	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_EStateFP13	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_EStateFP13	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_EStateFP13	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP13	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP13	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP13	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_EStateFP13	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP13	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP13	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_EStateFP13	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP13	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_EStateFP13	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP13	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP13	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP13	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP13	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP13	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP13	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_EStateFP13	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP13	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP13	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP13	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_EStateFP13	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP13	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP13	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP13	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP13	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP13	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP13	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP13	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_EStateFP13	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP13	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP13	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_EStateFP13	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP13	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP13	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_EStateFP13	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP13	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP13	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_EStateFP13	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP13	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP13	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP13	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_EStateFP13	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP13	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_EStateFP13	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP13	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP13	SC1CCCC1	C1679078
PADEL_EStateFP13	COC(OC)C(C)c1ccccc1	C90879
PADEL_EStateFP13	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP13	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP13	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP13	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP13	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP13	CCCCCCCCCC(C)C=O	C110418
PADEL_EStateFP13	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP14	C=CCN=C=S	C57067
PADEL_EStateFP14	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_EStateFP14	S=C=NC	C556616
PADEL_EStateFP14	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP14	O=C=NCCCCCCN=C=O	C822060
PADEL_EStateFP14	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_EStateFP14	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_EStateFP14	S=C=NCCCSC	C505793
PADEL_EStateFP15	C=CC#N	C107131
PADEL_EStateFP15	NC(=N)NC#N	C461585
PADEL_EStateFP15	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP15	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_EStateFP15	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_EStateFP15	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP15	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP15	N#CCC#N	C109773
PADEL_EStateFP15	C(O)C#CCO	C110656
PADEL_EStateFP15	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_EStateFP15	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP15	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_EStateFP15	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP15	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP15	CC(=C)C#N	C126987
PADEL_EStateFP15	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_EStateFP15	C(C)(C)(O)C#N	C75865
PADEL_EStateFP15	N#CC(CCC#N)C	C4553622
PADEL_EStateFP15	N#CC(C)C	C78820
PADEL_EStateFP15	N#C[S-].[NH4+]	C1762954
PADEL_EStateFP15	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP15	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP15	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP15	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP15	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP15	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP15	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP15	N#Cc1c(O)cccc1	C611201
PADEL_EStateFP15	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP15	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_EStateFP15	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP15	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_EStateFP15	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP15	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP15	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP15	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP15	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_EStateFP15	C(SC#N)SC#N	C6317186
PADEL_EStateFP15	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP15	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP15	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP15	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_EStateFP15	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_EStateFP15	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP15	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_EStateFP15	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP15	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP15	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_EStateFP15	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP15	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP15	N#CN	C420042
PADEL_EStateFP15	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP15	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP15	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP15	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP15	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP15	N#CCCCCC#N	C111693
PADEL_EStateFP15	N#Cc1cnccc1	C100549
PADEL_EStateFP15	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_EStateFP15	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP15	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_EStateFP15	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP15	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP15	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_EStateFP15	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP15	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP15	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP15	OC(C(CC)CCCC)C#C	C5877429
PADEL_EStateFP15	N#CC(Br)Br	C3252435
PADEL_EStateFP15	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP15	N#Cc1ccccc1	C100470
PADEL_EStateFP15	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_EStateFP15	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP15	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP15	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_EStateFP15	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_EStateFP15	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP15	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_EStateFP15	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP15	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_EStateFP15	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP15	N#CSCCCCCCCCCCCC	C765151
PADEL_EStateFP15	N#C[Au-]C#N.[K+]	C13967505
PADEL_EStateFP15	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_EStateFP15	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP15	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP15	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP15	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP16	CC(=O)N	C60355
PADEL_EStateFP16	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP16	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP16	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP16	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP16	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP16	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_EStateFP16	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP16	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP16	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP16	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP16	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP16	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP16	NC(=N)NC#N	C461585
PADEL_EStateFP16	O=C1CCCCC1	C108941
PADEL_EStateFP16	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP16	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_EStateFP16	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP16	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_EStateFP16	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP16	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_EStateFP16	S=C(NCC)NCC	C105555
PADEL_EStateFP16	CN(C)C(=O)C	C127195
PADEL_EStateFP16	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP16	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP16	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP16	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP16	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP16	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP16	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_EStateFP16	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_EStateFP16	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP16	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_EStateFP16	NC(=O)OC	C598550
PADEL_EStateFP16	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP16	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_EStateFP16	NC(=O)c1cccnc1	C98920
PADEL_EStateFP16	OC(=O)c1cccnc1	C59676
PADEL_EStateFP16	CN(C(=O)N)N=O	C684935
PADEL_EStateFP16	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP16	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP16	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP16	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_EStateFP16	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP16	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP16	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP16	NC(=S)N	C62566
PADEL_EStateFP16	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP16	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP16	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP16	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP16	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP16	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP16	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP16	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_EStateFP16	OC(=O)CCCC	C109524
PADEL_EStateFP16	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP16	c1(O)ccccc1C(=O)N	C65452
PADEL_EStateFP16	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP16	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP16	ON=C1CCCCC1	C100641
PADEL_EStateFP16	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP16	CCCC(=O)C	C107879
PADEL_EStateFP16	CCCCCC(=O)C	C110430
PADEL_EStateFP16	CCCCCCCCCC(=O)C	C112129
PADEL_EStateFP16	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP16	CCCCCC(=O)OCC	C123660
PADEL_EStateFP16	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_EStateFP16	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP16	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP16	C=CC(=O)OCCO	C818611
PADEL_EStateFP16	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP16	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_EStateFP16	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP16	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP16	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP16	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP16	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP16	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_EStateFP16	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP16	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP16	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_EStateFP16	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP16	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP16	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP16	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP16	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP16	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP16	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP16	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP16	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP16	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP16	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP16	C(=O)(O)C(C)O	C50215
PADEL_EStateFP16	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP16	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP16	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP16	C(=O)(O)CCC(=O)O	C110156
PADEL_EStateFP16	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP16	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP16	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP16	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP16	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP16	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP16	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP16	CC(=C)C#N	C126987
PADEL_EStateFP16	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP16	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP16	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP16	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP16	[Na+].[O-]C(=O)CF	C62748
PADEL_EStateFP16	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP16	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP16	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP16	O=C(OCCCC)C=C	C141322
PADEL_EStateFP16	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP16	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP16	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP16	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP16	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP16	OCNC(=O)NCO	C140954
PADEL_EStateFP16	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP16	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_EStateFP16	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP16	CCC(=CCCC)C=O	C645625
PADEL_EStateFP16	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP16	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP16	C(=O)(O)CO	C79141
PADEL_EStateFP16	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP16	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP16	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP16	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP16	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP16	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP16	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP16	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP16	C(=O)(O)C(=O)O	C144627
PADEL_EStateFP16	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP16	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP16	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_EStateFP16	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP16	O=C(O)CS	C68111
PADEL_EStateFP16	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP16	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP16	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP16	O=C(O)c1ccccc1O	C69727
PADEL_EStateFP16	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP16	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP16	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP16	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_EStateFP16	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP16	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_EStateFP16	O=C(O)c1ccc(O)cc1	C99967
PADEL_EStateFP16	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP16	O=C1OCC(C)O1	C108327
PADEL_EStateFP16	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP16	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP16	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP16	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_EStateFP16	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP16	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP16	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP16	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP16	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP16	O=C1NCCC1	C616455
PADEL_EStateFP16	O=C(N)[O-].[NH4+]	C1111780
PADEL_EStateFP16	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP16	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP16	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP16	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP16	NNC(=S)NN	C2231574
PADEL_EStateFP16	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP16	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP16	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP16	O=C(CCl)[O-].[Na+]	C3926623
PADEL_EStateFP16	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP16	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP16	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP16	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP16	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP16	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP16	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP16	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP16	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP16	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP16	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP16	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP16	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP16	O=C(c1ccc(O)cc1)C	C99934
PADEL_EStateFP16	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP16	O=C1CCCC1	C120923
PADEL_EStateFP16	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP16	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP16	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP16	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP16	O=C(C=C(C)C)C	C141797
PADEL_EStateFP16	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP16	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP16	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP16	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP16	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP16	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP16	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP16	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP16	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP16	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP16	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP16	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP16	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP16	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP16	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP16	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP16	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_EStateFP16	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP16	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP16	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP16	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP16	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP16	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP16	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP16	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP16	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP16	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP16	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP16	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP16	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP16	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP16	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP16	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP16	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP16	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP16	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP16	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP16	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP16	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP16	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP16	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP16	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP16	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP16	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP16	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP16	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP16	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP16	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP16	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP16	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP16	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP16	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP16	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP16	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP16	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP16	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP16	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP16	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP16	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP16	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP16	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP16	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP16	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP16	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP16	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP16	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP16	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP16	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP16	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP16	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP16	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP16	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_EStateFP16	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP16	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP16	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP16	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP16	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP16	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP16	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP16	O=C(CC)OCC	C105373
PADEL_EStateFP16	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP16	O=C(c1ccccc1O)C	C118934
PADEL_EStateFP16	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP16	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP16	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP16	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP16	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP16	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP16	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_EStateFP16	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP16	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP16	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP16	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP16	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP16	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP16	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP16	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_EStateFP16	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP16	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_EStateFP16	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP16	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP16	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP16	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP16	O=C1CCC(O1)CC	C695067
PADEL_EStateFP16	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP16	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP16	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_EStateFP16	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP16	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP16	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP16	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_EStateFP16	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP16	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP16	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP16	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP16	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP16	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP16	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP16	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP16	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP16	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP16	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP16	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP16	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP16	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP16	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP16	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP16	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP16	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_EStateFP16	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP16	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP16	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP16	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP16	O=C(CC)CCCCC	C106683
PADEL_EStateFP16	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP16	O=C(CF)O	C144490
PADEL_EStateFP16	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP16	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP16	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP16	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP16	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP16	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP16	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP16	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_EStateFP16	S=C(NC)NC	C534134
PADEL_EStateFP16	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP16	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP16	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP16	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP16	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP16	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP16	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP16	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP16	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP16	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP16	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP16	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP16	NNC(=S)NC	C6610293
PADEL_EStateFP16	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP16	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_EStateFP16	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP16	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP16	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP16	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP16	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_EStateFP16	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP16	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP16	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_EStateFP16	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP16	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP16	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP16	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP16	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP16	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP16	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP16	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP16	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP16	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP16	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP16	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP16	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP16	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP16	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP16	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP16	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP16	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP16	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP16	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP16	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP16	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP16	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_EStateFP16	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP16	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP16	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_EStateFP16	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP16	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP16	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP16	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP16	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP16	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_EStateFP16	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP16	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_EStateFP16	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_EStateFP16	O=C(c1ccccc1)C(C)C	C611701
PADEL_EStateFP16	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP16	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP16	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_EStateFP16	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_EStateFP16	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP16	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP16	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP16	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP16	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP16	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP16	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP16	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP16	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP16	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP16	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP16	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP16	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP16	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP16	S=C1NCCN1	C96457
PADEL_EStateFP16	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP16	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP16	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP16	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP16	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP16	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP16	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP16	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP16	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP16	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP16	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP16	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP16	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP16	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP16	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP16	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP16	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP16	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP16	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP16	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP16	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP16	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP16	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP16	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP16	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP16	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP16	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP16	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP16	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP16	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP16	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP16	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP16	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP16	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP16	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP16	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP16	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP16	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP16	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP16	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP16	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP16	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP16	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP16	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP16	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP16	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP16	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP16	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP16	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP16	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP16	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP16	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP16	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP16	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP16	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP16	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP16	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP16	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_EStateFP16	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP16	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP16	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP16	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP16	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP16	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP16	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP16	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP16	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP16	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP16	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP16	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP16	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP16	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP16	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP16	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP16	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP16	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP16	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP16	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP16	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP16	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP16	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP16	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP16	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP16	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP16	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP16	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP16	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP16	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP16	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP16	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP16	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP16	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP16	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP16	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP16	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP16	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP16	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP16	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP16	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP16	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_EStateFP16	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP16	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_EStateFP16	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP16	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP16	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP16	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP16	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP16	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP16	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP16	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP16	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP16	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP16	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP16	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP16	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP16	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP16	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP16	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP16	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP16	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP16	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP16	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP16	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP16	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP16	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP16	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP16	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP16	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP16	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP16	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP16	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP16	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP16	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP16	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP16	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP16	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP16	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP16	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP16	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP16	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP16	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP16	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP16	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP16	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP16	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP16	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP16	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP16	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP16	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP16	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP16	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP16	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP16	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP16	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP16	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP16	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP16	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP16	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP16	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP16	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP16	NC(=O)C=C	C79061
PADEL_EStateFP16	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP16	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_EStateFP16	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP16	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP16	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_EStateFP16	OC(=O)c1ccccc1	C65850
PADEL_EStateFP16	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP16	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP16	O=C1CCCO1	C96480
PADEL_EStateFP16	O=C1CCCCCN1	C105602
PADEL_EStateFP16	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP16	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP16	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP16	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP16	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP16	O=C(c1ccccc1)CCl	C532274
PADEL_EStateFP16	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP16	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP16	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP16	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP16	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP16	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP16	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP16	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP16	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP16	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP16	O=C(N(C)C)Cl	C79447
PADEL_EStateFP16	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP16	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP16	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP16	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP16	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP16	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP16	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP16	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP16	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP16	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP16	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP16	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP16	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP16	O=C1N(CCC1)C	C872504
PADEL_EStateFP16	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP16	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP16	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP16	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP16	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_EStateFP16	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP16	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP16	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP16	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP16	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP16	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP16	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP16	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP16	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP16	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP16	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP16	OC(=O)C=CC=CC	C110441
PADEL_EStateFP16	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP16	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP16	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP16	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP16	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP16	C(=O)(N)N	C57136
PADEL_EStateFP16	NC(=O)OCC	C51796
PADEL_EStateFP16	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP16	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP16	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP16	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_EStateFP16	OC(=O)CCC	C107926
PADEL_EStateFP16	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP16	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP16	O=C(O)CCCCCC	C111148
PADEL_EStateFP16	OC(=O)CCCCC(=O)O	C124049
PADEL_EStateFP16	CCCCCC(=O)O	C142621
PADEL_EStateFP16	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP16	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP16	CCCCCCCC(=O)O	C124072
PADEL_EStateFP16	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP16	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP16	CCC(=NO)C	C96297
PADEL_EStateFP16	c1ccccc1C(=O)C	C98862
PADEL_EStateFP16	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP16	CC(=O)OCCOCC	C111159
PADEL_EStateFP16	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP16	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_EStateFP16	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_EStateFP16	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP16	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP16	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP16	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP16	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP16	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP16	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP16	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP16	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP16	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP16	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP16	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP16	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_EStateFP16	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP16	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP16	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP16	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP16	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP16	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP16	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP16	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP16	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP16	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP16	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP16	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP16	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP16	O=C(O)c1ccc(N)cc1	C150130
PADEL_EStateFP16	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_EStateFP16	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP16	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP16	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP16	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP16	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP16	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP16	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP16	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP16	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP16	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_EStateFP16	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP16	C(=O)(N)NO	C127071
PADEL_EStateFP16	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP16	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP16	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP16	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP16	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP16	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP16	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP16	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP16	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP16	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP16	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP16	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP16	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP16	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP16	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP16	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP16	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP16	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP16	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP16	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP16	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP16	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP16	O=C(C)OCCCCC	C628637
PADEL_EStateFP16	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP16	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP16	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP16	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP16	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP16	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP16	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP16	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP16	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP16	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP16	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP16	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP16	O=C(N)C(=C)C	C79390
PADEL_EStateFP16	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP16	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP16	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP16	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP16	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP16	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP16	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP16	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP16	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP16	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP16	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP16	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP16	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP16	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP16	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP16	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP16	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP16	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP16	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP16	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_EStateFP16	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_EStateFP16	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP16	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP16	O=C(CCC)OCC	C105544
PADEL_EStateFP16	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP16	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP16	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP16	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP16	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP16	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP16	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP16	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP16	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP16	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP16	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP16	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP16	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP16	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP16	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP16	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP16	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP16	O=C(C)NC	C79163
PADEL_EStateFP16	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP16	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP16	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP16	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP16	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP16	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP16	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP16	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP16	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP16	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP16	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP16	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP16	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP16	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP16	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP16	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP16	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP16	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP16	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP16	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP16	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP16	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP16	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP16	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP16	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP16	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP16	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP16	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP16	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP16	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP16	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP16	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP16	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP16	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP16	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP16	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP16	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP16	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP16	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP16	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP16	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP16	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP16	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP16	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP16	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP16	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP16	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP16	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP16	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP16	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP16	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP16	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP16	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP16	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP16	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP16	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP16	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP16	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP16	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP16	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP16	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP16	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP16	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP16	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP16	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP16	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP16	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP16	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP16	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP16	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP16	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP16	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP16	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP16	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP16	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP16	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP16	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP16	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP16	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP16	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP16	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP16	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP16	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP16	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP16	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP16	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP16	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP16	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP16	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP16	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP16	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP16	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP16	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP16	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP16	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP16	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP16	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP16	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP16	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP16	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP16	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP16	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP16	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP16	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP16	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP16	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP16	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_EStateFP16	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP16	C(=O)(C)O	C64197
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP16	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP16	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP16	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP16	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP16	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP16	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_EStateFP16	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP16	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP16	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP16	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP16	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP16	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP16	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP16	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP16	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP16	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP16	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP16	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP16	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP16	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP16	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP16	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP16	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP16	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP16	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP16	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP16	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP16	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP16	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP16	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP16	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP16	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP16	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP16	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP16	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP16	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP16	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP16	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP16	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP16	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP16	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP16	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP16	CC(=O)OCC	C141786
PADEL_EStateFP16	CC(=O)OCCCC	C123864
PADEL_EStateFP16	CC(=O)CCC(C)C	C110123
PADEL_EStateFP16	CC(=O)CC(C)C	C108101
PADEL_EStateFP16	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP16	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_EStateFP16	CC1CC(=O)O1	C3068880
PADEL_EStateFP16	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP16	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_EStateFP16	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP16	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP16	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP16	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP16	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP16	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_EStateFP16	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP16	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP16	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP16	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP16	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP16	O=C(CCl)CCl	C534076
PADEL_EStateFP16	CC(=O)C(=O)O	C127173
PADEL_EStateFP16	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP16	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP16	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP16	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP16	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP16	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP16	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP16	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP16	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP16	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP16	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP16	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP16	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_EStateFP16	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP16	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_EStateFP16	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_EStateFP16	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP16	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP16	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_EStateFP16	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP16	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP16	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP16	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP16	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP16	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP16	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_EStateFP16	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP16	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP16	OCC=C(C)C	C556821
PADEL_EStateFP16	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP16	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP16	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP16	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP16	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP16	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP16	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP16	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP16	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP16	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_EStateFP16	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP16	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP16	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP16	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP16	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP16	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP16	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP16	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP16	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP16	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP16	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP16	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP16	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP16	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_EStateFP16	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP16	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP16	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP16	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP16	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP16	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP16	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP16	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP16	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP16	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_EStateFP16	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP16	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP16	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP16	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP16	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP16	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP16	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_EStateFP16	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP16	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP16	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP16	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP16	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP16	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP16	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP16	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP16	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP16	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP16	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP16	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP16	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP16	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP16	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_EStateFP16	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP16	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP16	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP16	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP16	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP16	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP16	IC(=C(I)I)I	C513928
PADEL_EStateFP16	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP16	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP16	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP16	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP16	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP16	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP16	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP16	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP16	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP16	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP16	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP16	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP16	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP16	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP16	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP16	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP16	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP16	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP16	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP16	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP16	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP16	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP16	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP16	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP16	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP16	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP16	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_EStateFP16	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP16	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP16	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP16	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP16	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_EStateFP16	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_EStateFP16	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP16	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP16	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP16	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP16	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP16	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP16	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP16	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP16	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP16	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_EStateFP16	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP16	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP16	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP16	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP16	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP16	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP16	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP16	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP16	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP16	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP16	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP16	CCC(=O)C(=O)CC	C4437518
PADEL_EStateFP16	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP17	CC(=O)N	C60355
PADEL_EStateFP17	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP17	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP17	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP17	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP17	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP17	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_EStateFP17	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP17	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP17	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP17	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP17	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP17	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP17	NC(=N)NC#N	C461585
PADEL_EStateFP17	O=C1CCCCC1	C108941
PADEL_EStateFP17	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP17	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_EStateFP17	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP17	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_EStateFP17	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP17	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_EStateFP17	S=C(NCC)NCC	C105555
PADEL_EStateFP17	CN(C)C(=O)C	C127195
PADEL_EStateFP17	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP17	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP17	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP17	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP17	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP17	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP17	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_EStateFP17	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_EStateFP17	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP17	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_EStateFP17	NC(=O)OC	C598550
PADEL_EStateFP17	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP17	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_EStateFP17	NC(=O)c1cccnc1	C98920
PADEL_EStateFP17	OC(=O)c1cccnc1	C59676
PADEL_EStateFP17	CN(C(=O)N)N=O	C684935
PADEL_EStateFP17	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP17	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP17	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP17	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_EStateFP17	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP17	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP17	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP17	NC(=S)N	C62566
PADEL_EStateFP17	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP17	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP17	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP17	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP17	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP17	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP17	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP17	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_EStateFP17	OC(=O)CCCC	C109524
PADEL_EStateFP17	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP17	c1(O)ccccc1C(=O)N	C65452
PADEL_EStateFP17	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP17	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP17	ON=C1CCCCC1	C100641
PADEL_EStateFP17	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP17	CCCC(=O)C	C107879
PADEL_EStateFP17	CCCCCC(=O)C	C110430
PADEL_EStateFP17	CCCCCCCCCC(=O)C	C112129
PADEL_EStateFP17	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP17	CCCCCC(=O)OCC	C123660
PADEL_EStateFP17	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_EStateFP17	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP17	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP17	C=CC(=O)OCCO	C818611
PADEL_EStateFP17	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP17	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_EStateFP17	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP17	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP17	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP17	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP17	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP17	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_EStateFP17	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP17	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP17	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_EStateFP17	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP17	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP17	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP17	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP17	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP17	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP17	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP17	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP17	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP17	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP17	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP17	C(=O)(O)C(C)O	C50215
PADEL_EStateFP17	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP17	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP17	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP17	C(=O)(O)CCC(=O)O	C110156
PADEL_EStateFP17	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP17	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP17	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP17	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP17	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP17	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP17	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP17	CC(=C)C#N	C126987
PADEL_EStateFP17	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP17	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP17	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP17	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP17	[Na+].[O-]C(=O)CF	C62748
PADEL_EStateFP17	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP17	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP17	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP17	O=C(OCCCC)C=C	C141322
PADEL_EStateFP17	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP17	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP17	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP17	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP17	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP17	OCNC(=O)NCO	C140954
PADEL_EStateFP17	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP17	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_EStateFP17	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP17	CCC(=CCCC)C=O	C645625
PADEL_EStateFP17	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP17	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP17	C(=O)(O)CO	C79141
PADEL_EStateFP17	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP17	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP17	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP17	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP17	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP17	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP17	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP17	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP17	C(=O)(O)C(=O)O	C144627
PADEL_EStateFP17	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP17	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP17	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_EStateFP17	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP17	O=C(O)CS	C68111
PADEL_EStateFP17	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP17	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP17	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP17	O=C(O)c1ccccc1O	C69727
PADEL_EStateFP17	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP17	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP17	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP17	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_EStateFP17	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP17	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_EStateFP17	O=C(O)c1ccc(O)cc1	C99967
PADEL_EStateFP17	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP17	O=C1OCC(C)O1	C108327
PADEL_EStateFP17	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP17	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP17	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP17	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_EStateFP17	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP17	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP17	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP17	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP17	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP17	O=C1NCCC1	C616455
PADEL_EStateFP17	O=C(N)[O-].[NH4+]	C1111780
PADEL_EStateFP17	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP17	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP17	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP17	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP17	NNC(=S)NN	C2231574
PADEL_EStateFP17	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP17	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP17	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP17	O=C(CCl)[O-].[Na+]	C3926623
PADEL_EStateFP17	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP17	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP17	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP17	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP17	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP17	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP17	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP17	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP17	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP17	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP17	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP17	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP17	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP17	O=C(c1ccc(O)cc1)C	C99934
PADEL_EStateFP17	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP17	O=C1CCCC1	C120923
PADEL_EStateFP17	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP17	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP17	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP17	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP17	O=C(C=C(C)C)C	C141797
PADEL_EStateFP17	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP17	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP17	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP17	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP17	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP17	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP17	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP17	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP17	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP17	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP17	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP17	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP17	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP17	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP17	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP17	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP17	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_EStateFP17	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP17	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP17	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP17	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP17	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP17	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP17	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP17	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP17	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP17	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP17	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP17	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP17	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP17	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP17	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP17	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP17	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP17	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP17	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP17	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP17	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP17	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP17	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP17	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP17	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP17	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP17	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP17	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP17	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP17	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP17	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP17	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP17	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP17	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP17	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP17	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP17	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP17	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP17	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP17	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP17	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP17	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP17	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP17	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP17	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP17	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP17	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP17	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP17	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP17	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP17	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP17	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP17	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP17	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_EStateFP17	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP17	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP17	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP17	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP17	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP17	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP17	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP17	O=C(CC)OCC	C105373
PADEL_EStateFP17	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP17	O=C(c1ccccc1O)C	C118934
PADEL_EStateFP17	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP17	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP17	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP17	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP17	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP17	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP17	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_EStateFP17	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP17	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP17	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP17	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP17	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP17	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP17	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP17	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_EStateFP17	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP17	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_EStateFP17	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP17	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP17	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP17	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP17	O=C1CCC(O1)CC	C695067
PADEL_EStateFP17	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP17	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP17	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_EStateFP17	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP17	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP17	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP17	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_EStateFP17	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP17	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP17	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP17	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP17	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP17	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP17	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP17	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP17	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP17	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP17	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP17	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP17	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP17	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP17	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP17	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP17	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP17	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_EStateFP17	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP17	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP17	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP17	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP17	O=C(CC)CCCCC	C106683
PADEL_EStateFP17	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP17	O=C(CF)O	C144490
PADEL_EStateFP17	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP17	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP17	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP17	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP17	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP17	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP17	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP17	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_EStateFP17	S=C(NC)NC	C534134
PADEL_EStateFP17	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP17	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP17	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP17	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP17	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP17	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP17	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP17	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP17	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP17	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP17	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP17	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP17	NNC(=S)NC	C6610293
PADEL_EStateFP17	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP17	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_EStateFP17	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP17	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP17	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP17	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP17	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_EStateFP17	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP17	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP17	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_EStateFP17	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP17	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP17	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP17	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP17	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP17	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP17	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP17	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP17	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP17	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP17	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP17	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP17	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP17	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP17	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP17	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP17	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP17	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP17	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP17	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP17	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP17	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP17	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_EStateFP17	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP17	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP17	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_EStateFP17	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP17	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP17	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP17	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP17	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP17	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_EStateFP17	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP17	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_EStateFP17	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_EStateFP17	O=C(c1ccccc1)C(C)C	C611701
PADEL_EStateFP17	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP17	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP17	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_EStateFP17	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_EStateFP17	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP17	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP17	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP17	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP17	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP17	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP17	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP17	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP17	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP17	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP17	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP17	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP17	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP17	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP17	S=C1NCCN1	C96457
PADEL_EStateFP17	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP17	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP17	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP17	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP17	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP17	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP17	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP17	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP17	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP17	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP17	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP17	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP17	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP17	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP17	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP17	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP17	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP17	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP17	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP17	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP17	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP17	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP17	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP17	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP17	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP17	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP17	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP17	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP17	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP17	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP17	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP17	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP17	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP17	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP17	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP17	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP17	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP17	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP17	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP17	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP17	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP17	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP17	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP17	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP17	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP17	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP17	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP17	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP17	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP17	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP17	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP17	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP17	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP17	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP17	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP17	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP17	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_EStateFP17	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP17	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP17	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP17	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP17	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP17	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP17	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP17	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP17	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP17	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP17	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP17	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP17	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP17	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP17	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP17	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP17	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP17	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP17	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP17	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP17	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP17	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP17	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP17	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP17	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP17	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP17	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP17	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP17	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP17	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP17	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP17	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP17	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP17	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP17	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP17	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP17	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP17	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP17	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP17	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP17	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP17	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_EStateFP17	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP17	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_EStateFP17	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP17	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP17	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP17	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP17	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP17	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP17	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP17	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP17	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP17	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP17	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP17	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP17	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP17	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP17	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP17	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP17	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP17	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP17	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP17	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP17	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP17	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP17	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP17	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP17	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP17	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP17	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP17	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP17	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP17	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP17	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP17	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP17	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP17	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP17	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP17	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP17	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP17	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP17	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP17	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP17	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP17	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP17	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP17	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP17	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP17	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP17	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP17	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP17	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP17	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP17	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP17	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP17	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP17	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP17	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP17	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP17	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP17	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP17	NC(=O)C=C	C79061
PADEL_EStateFP17	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP17	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_EStateFP17	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP17	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP17	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_EStateFP17	OC(=O)c1ccccc1	C65850
PADEL_EStateFP17	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP17	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP17	O=C1CCCO1	C96480
PADEL_EStateFP17	O=C1CCCCCN1	C105602
PADEL_EStateFP17	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP17	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP17	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP17	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP17	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP17	O=C(c1ccccc1)CCl	C532274
PADEL_EStateFP17	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP17	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP17	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP17	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP17	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP17	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP17	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP17	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP17	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP17	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP17	O=C(N(C)C)Cl	C79447
PADEL_EStateFP17	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP17	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP17	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP17	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP17	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP17	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP17	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP17	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP17	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP17	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP17	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP17	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP17	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP17	O=C1N(CCC1)C	C872504
PADEL_EStateFP17	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP17	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP17	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP17	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP17	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_EStateFP17	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP17	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP17	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP17	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP17	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP17	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP17	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP17	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP17	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP17	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP17	OC(=O)C=CC=CC	C110441
PADEL_EStateFP17	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP17	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP17	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP17	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP17	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP17	C(=O)(N)N	C57136
PADEL_EStateFP17	NC(=O)OCC	C51796
PADEL_EStateFP17	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP17	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP17	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP17	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_EStateFP17	OC(=O)CCC	C107926
PADEL_EStateFP17	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP17	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP17	O=C(O)CCCCCC	C111148
PADEL_EStateFP17	OC(=O)CCCCC(=O)O	C124049
PADEL_EStateFP17	CCCCCC(=O)O	C142621
PADEL_EStateFP17	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP17	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP17	CCCCCCCC(=O)O	C124072
PADEL_EStateFP17	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP17	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP17	CCC(=NO)C	C96297
PADEL_EStateFP17	c1ccccc1C(=O)C	C98862
PADEL_EStateFP17	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP17	CC(=O)OCCOCC	C111159
PADEL_EStateFP17	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP17	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_EStateFP17	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_EStateFP17	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP17	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP17	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP17	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP17	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP17	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP17	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP17	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP17	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP17	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP17	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP17	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP17	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_EStateFP17	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP17	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP17	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP17	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP17	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP17	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP17	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP17	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP17	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP17	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP17	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP17	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP17	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP17	O=C(O)c1ccc(N)cc1	C150130
PADEL_EStateFP17	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_EStateFP17	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP17	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP17	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP17	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP17	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP17	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP17	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP17	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP17	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP17	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_EStateFP17	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP17	C(=O)(N)NO	C127071
PADEL_EStateFP17	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP17	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP17	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP17	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP17	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP17	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP17	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP17	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP17	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP17	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP17	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP17	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP17	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP17	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP17	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP17	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP17	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP17	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP17	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP17	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP17	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP17	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP17	O=C(C)OCCCCC	C628637
PADEL_EStateFP17	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP17	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP17	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP17	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP17	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP17	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP17	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP17	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP17	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP17	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP17	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP17	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP17	O=C(N)C(=C)C	C79390
PADEL_EStateFP17	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP17	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP17	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP17	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP17	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP17	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP17	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP17	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP17	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP17	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP17	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP17	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP17	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP17	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP17	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP17	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP17	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP17	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP17	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP17	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_EStateFP17	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_EStateFP17	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP17	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP17	O=C(CCC)OCC	C105544
PADEL_EStateFP17	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP17	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP17	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP17	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP17	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP17	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP17	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP17	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP17	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP17	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP17	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP17	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP17	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP17	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP17	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP17	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP17	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP17	O=C(C)NC	C79163
PADEL_EStateFP17	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP17	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP17	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP17	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP17	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP17	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP17	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP17	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP17	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP17	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP17	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP17	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP17	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP17	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP17	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP17	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP17	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP17	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP17	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP17	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP17	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP17	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP17	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP17	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP17	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP17	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP17	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP17	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP17	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP17	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP17	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP17	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP17	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP17	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP17	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP17	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP17	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP17	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP17	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP17	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP17	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP17	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP17	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP17	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP17	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP17	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP17	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP17	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP17	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP17	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP17	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP17	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP17	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP17	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP17	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP17	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP17	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP17	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP17	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP17	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP17	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP17	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP17	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP17	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP17	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP17	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP17	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP17	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP17	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP17	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP17	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP17	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP17	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP17	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP17	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP17	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP17	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP17	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP17	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP17	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP17	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP17	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP17	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP17	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP17	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP17	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP17	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP17	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP17	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP17	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP17	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP17	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP17	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP17	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP17	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP17	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP17	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP17	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP17	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP17	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP17	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP17	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP17	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP17	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP17	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP17	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP17	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_EStateFP17	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP17	C(=O)(C)O	C64197
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP17	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP17	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP17	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP17	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP17	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP17	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_EStateFP17	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP17	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP17	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP17	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP17	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP17	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP17	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP17	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP17	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP17	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP17	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP17	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP17	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP17	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP17	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP17	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP17	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP17	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP17	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP17	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP17	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP17	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP17	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP17	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP17	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP17	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP17	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP17	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP17	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP17	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP17	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP17	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP17	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP17	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP17	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP17	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP17	CC(=O)OCC	C141786
PADEL_EStateFP17	CC(=O)OCCCC	C123864
PADEL_EStateFP17	CC(=O)CCC(C)C	C110123
PADEL_EStateFP17	CC(=O)CC(C)C	C108101
PADEL_EStateFP17	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP17	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_EStateFP17	CC1CC(=O)O1	C3068880
PADEL_EStateFP17	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP17	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_EStateFP17	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP17	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP17	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP17	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP17	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP17	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_EStateFP17	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP17	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP17	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP17	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP17	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP17	O=C(CCl)CCl	C534076
PADEL_EStateFP17	CC(=O)C(=O)O	C127173
PADEL_EStateFP17	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP17	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP17	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP17	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP17	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP17	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP17	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP17	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP17	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP17	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP17	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP17	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP17	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_EStateFP17	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP17	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_EStateFP17	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_EStateFP17	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP17	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP17	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_EStateFP17	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP17	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP17	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP17	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP17	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP17	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP17	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_EStateFP17	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP17	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP17	OCC=C(C)C	C556821
PADEL_EStateFP17	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP17	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP17	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP17	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP17	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP17	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP17	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP17	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP17	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP17	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_EStateFP17	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP17	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP17	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP17	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP17	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP17	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP17	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP17	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP17	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP17	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP17	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP17	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP17	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP17	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_EStateFP17	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP17	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP17	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP17	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP17	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP17	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP17	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP17	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP17	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP17	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_EStateFP17	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP17	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP17	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP17	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP17	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP17	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP17	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_EStateFP17	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP17	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP17	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP17	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP17	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP17	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP17	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP17	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP17	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP17	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP17	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP17	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP17	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP17	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP17	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_EStateFP17	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP17	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP17	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP17	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP17	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP17	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP17	IC(=C(I)I)I	C513928
PADEL_EStateFP17	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP17	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP17	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP17	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP17	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP17	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP17	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP17	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP17	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP17	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP17	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP17	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP17	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP17	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP17	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP17	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP17	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP17	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP17	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP17	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP17	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP17	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP17	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP17	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP17	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP17	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP17	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_EStateFP17	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP17	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP17	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP17	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP17	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_EStateFP17	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_EStateFP17	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP17	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP17	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP17	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP17	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP17	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP17	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP17	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP17	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP17	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_EStateFP17	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP17	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP17	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP17	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP17	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP17	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP17	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP17	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP17	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP17	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP17	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP17	CCC(=O)C(=O)CC	C4437518
PADEL_EStateFP17	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP18	CC(=O)N	C60355
PADEL_EStateFP18	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP18	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP18	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP18	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP18	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP18	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_EStateFP18	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP18	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP18	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP18	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP18	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP18	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP18	NC(=N)NC#N	C461585
PADEL_EStateFP18	O=C1CCCCC1	C108941
PADEL_EStateFP18	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP18	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_EStateFP18	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP18	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_EStateFP18	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP18	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_EStateFP18	S=C(NCC)NCC	C105555
PADEL_EStateFP18	CN(C)C(=O)C	C127195
PADEL_EStateFP18	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP18	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP18	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP18	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP18	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP18	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP18	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_EStateFP18	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_EStateFP18	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP18	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_EStateFP18	NC(=O)OC	C598550
PADEL_EStateFP18	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP18	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_EStateFP18	NC(=O)c1cccnc1	C98920
PADEL_EStateFP18	OC(=O)c1cccnc1	C59676
PADEL_EStateFP18	CN(C(=O)N)N=O	C684935
PADEL_EStateFP18	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP18	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP18	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP18	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_EStateFP18	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP18	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP18	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP18	NC(=S)N	C62566
PADEL_EStateFP18	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP18	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP18	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP18	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP18	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP18	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP18	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP18	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_EStateFP18	OC(=O)CCCC	C109524
PADEL_EStateFP18	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP18	c1(O)ccccc1C(=O)N	C65452
PADEL_EStateFP18	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP18	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP18	ON=C1CCCCC1	C100641
PADEL_EStateFP18	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP18	CCCC(=O)C	C107879
PADEL_EStateFP18	CCCCCC(=O)C	C110430
PADEL_EStateFP18	CCCCCCCCCC(=O)C	C112129
PADEL_EStateFP18	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP18	CCCCCC(=O)OCC	C123660
PADEL_EStateFP18	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_EStateFP18	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP18	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP18	C=CC(=O)OCCO	C818611
PADEL_EStateFP18	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP18	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_EStateFP18	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP18	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP18	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP18	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_EStateFP18	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP18	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP18	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_EStateFP18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP18	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP18	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP18	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP18	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP18	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP18	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP18	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP18	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP18	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP18	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP18	C(=O)(O)C(C)O	C50215
PADEL_EStateFP18	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP18	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP18	C(=O)(O)CCC(=O)O	C110156
PADEL_EStateFP18	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP18	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP18	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP18	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP18	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP18	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP18	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP18	CC(=C)C#N	C126987
PADEL_EStateFP18	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP18	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP18	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP18	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP18	[Na+].[O-]C(=O)CF	C62748
PADEL_EStateFP18	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP18	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP18	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP18	O=C(OCCCC)C=C	C141322
PADEL_EStateFP18	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP18	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP18	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP18	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP18	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP18	OCNC(=O)NCO	C140954
PADEL_EStateFP18	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP18	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_EStateFP18	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP18	CCC(=CCCC)C=O	C645625
PADEL_EStateFP18	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP18	CC=C1CC2C=CC1C2	C16219753
PADEL_EStateFP18	C(=O)(O)CO	C79141
PADEL_EStateFP18	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP18	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP18	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP18	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP18	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP18	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP18	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP18	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP18	C(=O)(O)C(=O)O	C144627
PADEL_EStateFP18	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP18	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP18	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_EStateFP18	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP18	O=C(O)CS	C68111
PADEL_EStateFP18	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP18	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP18	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP18	O=C(O)c1ccccc1O	C69727
PADEL_EStateFP18	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP18	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP18	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP18	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_EStateFP18	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP18	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_EStateFP18	O=C(O)c1ccc(O)cc1	C99967
PADEL_EStateFP18	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP18	O=C1OCC(C)O1	C108327
PADEL_EStateFP18	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP18	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP18	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP18	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_EStateFP18	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP18	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP18	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP18	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP18	CC1=CCC(=C(C)C)CC1	C586629
PADEL_EStateFP18	O=C1NCCC1	C616455
PADEL_EStateFP18	O=C(N)[O-].[NH4+]	C1111780
PADEL_EStateFP18	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP18	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP18	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP18	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP18	NNC(=S)NN	C2231574
PADEL_EStateFP18	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP18	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP18	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP18	O=C(CCl)[O-].[Na+]	C3926623
PADEL_EStateFP18	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP18	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP18	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP18	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_EStateFP18	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP18	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP18	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP18	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP18	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP18	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP18	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP18	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP18	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP18	O=C(c1ccc(O)cc1)C	C99934
PADEL_EStateFP18	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP18	O=C1CCCC1	C120923
PADEL_EStateFP18	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP18	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP18	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP18	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP18	O=C(C=C(C)C)C	C141797
PADEL_EStateFP18	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP18	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP18	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP18	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP18	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP18	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP18	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP18	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP18	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP18	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP18	CC(=C)C1CC=C(C)CC1	C138863
PADEL_EStateFP18	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP18	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP18	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP18	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP18	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP18	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_EStateFP18	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP18	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP18	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP18	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP18	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP18	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP18	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP18	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP18	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP18	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP18	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP18	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP18	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP18	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP18	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP18	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP18	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP18	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP18	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP18	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP18	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP18	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP18	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP18	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP18	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP18	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP18	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP18	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP18	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP18	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP18	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP18	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP18	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP18	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP18	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP18	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP18	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP18	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP18	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP18	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP18	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP18	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP18	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP18	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP18	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP18	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP18	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP18	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP18	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP18	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP18	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP18	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP18	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP18	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_EStateFP18	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP18	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP18	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP18	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP18	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP18	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP18	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP18	O=C(CC)OCC	C105373
PADEL_EStateFP18	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP18	O=C(c1ccccc1O)C	C118934
PADEL_EStateFP18	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP18	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP18	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP18	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP18	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP18	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP18	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_EStateFP18	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP18	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP18	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP18	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP18	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP18	CC(C)C1=CCC(=CC1)C	C99854
PADEL_EStateFP18	CC1=CC=C(C(C)C)CC1	C99865
PADEL_EStateFP18	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_EStateFP18	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP18	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_EStateFP18	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP18	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP18	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP18	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP18	O=C1CCC(O1)CC	C695067
PADEL_EStateFP18	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP18	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP18	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_EStateFP18	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP18	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP18	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP18	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_EStateFP18	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP18	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP18	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP18	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP18	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP18	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP18	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP18	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP18	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP18	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP18	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP18	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP18	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP18	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP18	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP18	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP18	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP18	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_EStateFP18	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP18	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP18	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP18	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP18	O=C(CC)CCCCC	C106683
PADEL_EStateFP18	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP18	O=C(CF)O	C144490
PADEL_EStateFP18	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP18	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP18	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP18	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP18	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP18	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP18	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP18	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_EStateFP18	S=C(NC)NC	C534134
PADEL_EStateFP18	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP18	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP18	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP18	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP18	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP18	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP18	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP18	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP18	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP18	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP18	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP18	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP18	NNC(=S)NC	C6610293
PADEL_EStateFP18	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP18	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_EStateFP18	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP18	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP18	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP18	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP18	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_EStateFP18	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP18	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP18	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_EStateFP18	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP18	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP18	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP18	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP18	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP18	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP18	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP18	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP18	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP18	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP18	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP18	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP18	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP18	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP18	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP18	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP18	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP18	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP18	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP18	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP18	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP18	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP18	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_EStateFP18	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP18	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP18	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_EStateFP18	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP18	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP18	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP18	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP18	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP18	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_EStateFP18	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP18	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_EStateFP18	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_EStateFP18	O=C(c1ccccc1)C(C)C	C611701
PADEL_EStateFP18	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP18	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP18	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_EStateFP18	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_EStateFP18	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP18	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP18	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP18	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP18	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP18	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP18	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP18	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP18	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP18	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP18	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP18	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP18	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP18	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP18	S=C1NCCN1	C96457
PADEL_EStateFP18	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP18	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP18	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP18	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP18	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP18	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP18	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP18	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP18	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP18	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP18	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP18	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP18	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP18	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP18	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP18	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP18	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP18	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP18	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP18	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP18	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP18	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP18	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP18	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP18	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP18	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP18	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP18	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP18	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP18	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP18	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP18	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP18	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP18	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP18	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP18	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP18	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP18	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP18	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP18	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP18	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP18	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP18	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP18	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP18	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP18	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP18	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP18	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP18	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP18	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP18	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP18	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP18	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP18	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP18	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP18	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP18	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_EStateFP18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP18	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP18	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP18	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP18	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP18	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP18	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP18	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP18	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP18	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP18	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP18	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP18	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP18	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP18	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP18	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP18	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP18	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP18	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP18	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP18	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP18	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP18	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP18	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP18	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP18	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP18	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP18	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP18	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP18	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP18	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP18	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP18	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP18	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP18	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP18	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP18	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP18	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP18	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP18	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP18	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP18	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_EStateFP18	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP18	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_EStateFP18	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP18	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP18	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP18	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP18	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP18	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP18	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP18	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP18	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP18	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP18	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP18	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP18	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP18	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP18	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP18	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP18	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP18	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP18	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP18	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP18	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP18	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP18	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP18	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP18	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP18	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP18	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP18	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP18	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP18	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP18	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP18	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP18	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP18	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP18	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP18	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP18	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP18	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP18	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP18	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP18	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP18	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP18	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP18	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP18	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP18	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP18	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP18	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP18	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP18	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP18	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP18	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP18	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP18	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP18	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP18	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP18	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP18	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP18	NC(=O)C=C	C79061
PADEL_EStateFP18	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP18	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_EStateFP18	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP18	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP18	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_EStateFP18	OC(=O)c1ccccc1	C65850
PADEL_EStateFP18	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP18	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP18	O=C1CCCO1	C96480
PADEL_EStateFP18	O=C1CCCCCN1	C105602
PADEL_EStateFP18	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP18	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP18	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP18	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP18	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP18	O=C(c1ccccc1)CCl	C532274
PADEL_EStateFP18	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP18	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP18	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP18	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP18	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP18	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP18	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP18	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP18	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP18	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP18	O=C(N(C)C)Cl	C79447
PADEL_EStateFP18	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP18	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP18	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP18	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP18	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP18	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP18	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP18	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP18	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP18	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP18	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP18	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP18	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP18	O=C1N(CCC1)C	C872504
PADEL_EStateFP18	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP18	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP18	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP18	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP18	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_EStateFP18	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP18	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP18	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP18	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP18	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP18	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP18	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP18	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP18	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP18	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP18	OC(=O)C=CC=CC	C110441
PADEL_EStateFP18	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP18	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP18	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP18	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP18	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP18	C(=O)(N)N	C57136
PADEL_EStateFP18	NC(=O)OCC	C51796
PADEL_EStateFP18	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP18	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP18	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP18	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_EStateFP18	OC(=O)CCC	C107926
PADEL_EStateFP18	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP18	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP18	O=C(O)CCCCCC	C111148
PADEL_EStateFP18	OC(=O)CCCCC(=O)O	C124049
PADEL_EStateFP18	CCCCCC(=O)O	C142621
PADEL_EStateFP18	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP18	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP18	CCCCCCCC(=O)O	C124072
PADEL_EStateFP18	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP18	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP18	CCC(=NO)C	C96297
PADEL_EStateFP18	c1ccccc1C(=O)C	C98862
PADEL_EStateFP18	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP18	CC(=O)OCCOCC	C111159
PADEL_EStateFP18	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP18	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_EStateFP18	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_EStateFP18	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP18	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP18	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP18	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP18	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP18	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP18	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP18	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP18	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP18	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP18	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP18	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP18	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_EStateFP18	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP18	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP18	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP18	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP18	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP18	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP18	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP18	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP18	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP18	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP18	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP18	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP18	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP18	O=C(O)c1ccc(N)cc1	C150130
PADEL_EStateFP18	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_EStateFP18	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP18	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP18	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP18	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP18	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP18	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP18	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP18	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP18	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP18	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_EStateFP18	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP18	C(=O)(N)NO	C127071
PADEL_EStateFP18	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP18	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP18	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP18	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP18	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_EStateFP18	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP18	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP18	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP18	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP18	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP18	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP18	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP18	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP18	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP18	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP18	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP18	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP18	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP18	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP18	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP18	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP18	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP18	O=C(C)OCCCCC	C628637
PADEL_EStateFP18	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP18	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP18	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP18	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP18	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP18	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP18	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP18	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP18	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP18	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP18	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP18	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP18	O=C(N)C(=C)C	C79390
PADEL_EStateFP18	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP18	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP18	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP18	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP18	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP18	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP18	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP18	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP18	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP18	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP18	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP18	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP18	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP18	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP18	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP18	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP18	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP18	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_EStateFP18	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_EStateFP18	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP18	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP18	O=C(CCC)OCC	C105544
PADEL_EStateFP18	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP18	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP18	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP18	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP18	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP18	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP18	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP18	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP18	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP18	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP18	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP18	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP18	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP18	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP18	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP18	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP18	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP18	O=C(C)NC	C79163
PADEL_EStateFP18	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP18	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP18	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP18	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP18	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP18	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP18	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP18	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP18	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP18	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP18	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP18	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP18	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP18	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP18	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP18	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP18	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP18	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP18	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP18	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP18	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP18	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP18	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP18	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP18	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP18	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP18	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP18	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP18	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP18	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP18	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP18	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP18	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP18	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP18	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP18	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP18	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP18	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP18	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP18	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP18	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP18	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP18	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP18	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP18	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP18	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP18	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP18	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP18	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP18	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP18	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP18	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP18	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP18	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP18	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP18	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP18	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP18	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP18	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP18	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP18	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP18	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP18	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP18	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP18	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP18	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP18	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP18	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP18	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP18	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP18	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP18	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP18	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP18	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP18	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP18	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP18	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP18	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP18	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP18	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP18	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP18	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP18	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP18	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP18	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP18	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP18	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP18	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP18	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP18	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP18	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP18	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP18	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP18	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP18	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP18	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP18	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP18	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP18	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP18	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP18	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP18	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP18	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP18	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP18	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP18	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_EStateFP18	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP18	C(=O)(C)O	C64197
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP18	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP18	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP18	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP18	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP18	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP18	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_EStateFP18	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP18	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP18	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP18	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP18	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP18	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP18	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP18	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP18	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP18	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP18	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP18	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP18	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP18	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP18	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP18	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP18	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP18	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP18	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP18	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP18	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP18	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP18	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP18	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP18	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP18	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP18	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP18	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP18	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP18	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP18	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP18	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP18	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP18	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP18	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP18	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP18	CC(=O)OCC	C141786
PADEL_EStateFP18	CC(=O)OCCCC	C123864
PADEL_EStateFP18	CC(=O)CCC(C)C	C110123
PADEL_EStateFP18	CC(=O)CC(C)C	C108101
PADEL_EStateFP18	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP18	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_EStateFP18	CC1CC(=O)O1	C3068880
PADEL_EStateFP18	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP18	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_EStateFP18	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP18	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP18	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP18	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP18	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP18	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_EStateFP18	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP18	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP18	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP18	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP18	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP18	O=C(CCl)CCl	C534076
PADEL_EStateFP18	CC(=O)C(=O)O	C127173
PADEL_EStateFP18	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP18	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP18	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP18	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP18	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP18	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP18	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP18	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP18	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP18	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP18	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP18	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP18	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_EStateFP18	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP18	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_EStateFP18	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_EStateFP18	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP18	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP18	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_EStateFP18	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP18	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP18	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP18	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP18	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP18	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP18	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_EStateFP18	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP18	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP18	OCC=C(C)C	C556821
PADEL_EStateFP18	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP18	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP18	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP18	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP18	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP18	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP18	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP18	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP18	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP18	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_EStateFP18	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP18	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP18	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP18	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP18	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP18	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP18	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP18	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP18	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP18	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP18	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP18	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP18	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP18	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_EStateFP18	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP18	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP18	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP18	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP18	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP18	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP18	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP18	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP18	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP18	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_EStateFP18	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP18	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP18	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP18	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP18	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP18	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP18	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_EStateFP18	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP18	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP18	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP18	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP18	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP18	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP18	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP18	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP18	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP18	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP18	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP18	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP18	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP18	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP18	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_EStateFP18	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP18	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP18	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP18	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP18	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP18	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP18	IC(=C(I)I)I	C513928
PADEL_EStateFP18	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP18	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP18	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP18	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP18	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP18	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP18	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP18	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP18	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP18	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP18	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP18	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP18	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP18	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP18	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP18	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP18	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP18	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP18	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP18	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP18	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP18	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP18	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP18	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP18	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP18	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP18	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_EStateFP18	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP18	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP18	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP18	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP18	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_EStateFP18	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_EStateFP18	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP18	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP18	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP18	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP18	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP18	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP18	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP18	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP18	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP18	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_EStateFP18	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP18	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP18	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP18	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP18	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP18	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP18	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP18	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP18	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP18	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP18	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP18	CCC(=O)C(=O)CC	C4437518
PADEL_EStateFP18	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP19	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_EStateFP19	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP19	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_EStateFP19	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_EStateFP19	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP19	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP19	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP19	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP19	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP19	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_EStateFP19	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_EStateFP19	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP19	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_EStateFP19	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP19	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP19	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP19	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_EStateFP19	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_EStateFP19	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP19	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_EStateFP19	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_EStateFP19	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP19	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP19	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP19	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_EStateFP19	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_EStateFP19	CC(O)CC(C)(C)O	C107415
PADEL_EStateFP19	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP19	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP19	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP19	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_EStateFP19	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_EStateFP19	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP19	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP19	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_EStateFP19	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP19	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP19	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP19	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_EStateFP19	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_EStateFP19	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_EStateFP19	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP19	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_EStateFP19	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP19	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_EStateFP19	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP19	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_EStateFP19	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP19	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP19	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP19	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_EStateFP19	NC(CO)(CO)CO	C77861
PADEL_EStateFP19	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP19	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP19	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP19	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP19	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_EStateFP19	C(C)(C)(C)N	C75649
PADEL_EStateFP19	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_EStateFP19	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP19	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_EStateFP19	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP19	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_EStateFP19	C(C)(C)(O)C#N	C75865
PADEL_EStateFP19	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP19	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP19	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP19	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP19	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_EStateFP19	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP19	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP19	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_EStateFP19	OCC(CO)(CO)CO	C115775
PADEL_EStateFP19	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP19	OCC(N)(C)C	C124685
PADEL_EStateFP19	OCC(C)(C)CO	C126307
PADEL_EStateFP19	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_EStateFP19	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_EStateFP19	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP19	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_EStateFP19	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP19	SC(C)(C)CCCCCC	C25360105
PADEL_EStateFP19	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP19	OC(CCCC(C)C)(C)CC	C78693
PADEL_EStateFP19	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP19	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP19	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_EStateFP19	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_EStateFP19	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP19	OCCC(C)CC(C)(C)C	C3452979
PADEL_EStateFP19	ClC(Cl)(C)C	C594207
PADEL_EStateFP19	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP19	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP19	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP19	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP19	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP19	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP19	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP19	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP19	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP19	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP19	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP19	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP19	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP19	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP19	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP19	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP19	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP19	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_EStateFP19	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP19	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_EStateFP19	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP19	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP19	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_EStateFP19	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP19	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP19	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP19	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP19	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP19	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP19	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_EStateFP19	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP19	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP19	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_EStateFP19	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP19	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP19	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP19	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP19	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_EStateFP19	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP19	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP19	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_EStateFP19	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP19	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP19	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP19	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_EStateFP19	OC(CCCC(C)C)(C)C	C13254347
PADEL_EStateFP19	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP19	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP19	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP19	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP19	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP19	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP19	OC1CC(C)(C)CC(C)C1	C116029
PADEL_EStateFP19	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP19	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_EStateFP19	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP19	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_EStateFP19	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP19	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP19	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP19	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP19	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP19	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP19	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP19	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP19	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP19	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_EStateFP19	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP19	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP19	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP19	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP19	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP19	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_EStateFP19	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP19	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_EStateFP19	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP19	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_EStateFP19	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_EStateFP19	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_EStateFP19	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP19	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP19	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP19	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP19	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP19	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_EStateFP19	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP19	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP19	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP19	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP19	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP19	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP19	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP19	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_EStateFP19	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP19	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP19	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP19	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP19	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP19	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP19	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP19	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP19	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP19	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP19	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP19	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_EStateFP19	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP19	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_EStateFP19	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP19	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP19	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP19	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_EStateFP19	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP19	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP19	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP19	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_EStateFP19	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP19	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_EStateFP19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_EStateFP19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP19	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP19	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP19	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP19	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP19	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP19	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP19	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP19	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_EStateFP19	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_EStateFP19	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP19	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP19	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP19	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP19	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_EStateFP19	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_EStateFP19	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP19	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP19	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_EStateFP19	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP19	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP19	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP19	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP19	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP19	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP19	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP19	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP19	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_EStateFP19	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP19	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP19	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP19	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP19	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP19	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP19	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP19	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP19	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP19	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP19	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_EStateFP19	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP19	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP19	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP19	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP19	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP19	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP19	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP19	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP19	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_EStateFP19	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP19	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP19	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP19	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP19	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP19	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP19	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP19	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP19	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP19	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP19	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP19	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP19	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP19	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP19	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP19	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP19	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP19	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_EStateFP19	OCC(CO)(CBr)CBr	C3296900
PADEL_EStateFP19	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_EStateFP19	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_EStateFP19	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP19	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP19	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP19	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP19	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP19	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP19	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_EStateFP19	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP19	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP19	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP19	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP19	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP19	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_EStateFP19	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP19	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP19	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP19	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_EStateFP19	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP19	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP19	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP19	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP19	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP19	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP19	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_EStateFP19	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP19	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_EStateFP19	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP19	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP19	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP19	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_EStateFP19	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_EStateFP19	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP19	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP19	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP19	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP19	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP19	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP19	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP19	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_EStateFP19	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP19	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP19	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP19	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_EStateFP19	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP19	O(O)C(c1ccccc1)(C)C	C80159
PADEL_EStateFP19	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_EStateFP19	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP19	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_EStateFP19	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_EStateFP19	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_EStateFP19	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_EStateFP19	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_EStateFP19	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_EStateFP19	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_EStateFP19	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_EStateFP19	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_EStateFP19	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP19	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_EStateFP19	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_EStateFP19	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_EStateFP19	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_EStateFP19	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP19	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_EStateFP19	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP19	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_EStateFP19	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP19	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP19	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_EStateFP19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP19	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP19	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP19	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_EStateFP19	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP19	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_EStateFP19	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP19	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP19	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP19	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP19	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_EStateFP19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_EStateFP19	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_EStateFP19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_EStateFP19	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_EStateFP19	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_EStateFP19	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP19	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP19	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_EStateFP19	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_EStateFP19	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP19	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP19	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP19	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_EStateFP19	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_EStateFP19	CC(C)(C)c1ccccc1	C98066
PADEL_EStateFP19	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP19	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP19	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP19	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP19	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP19	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP19	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP19	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP19	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP19	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP19	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP19	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP19	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP19	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP19	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP19	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP19	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_EStateFP19	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP19	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP19	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP19	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP19	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP19	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP19	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP19	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP19	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP19	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP19	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP19	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_EStateFP19	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP19	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP19	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP19	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP19	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP19	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP19	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP19	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP19	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP19	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP19	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP19	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP19	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP19	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP19	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP19	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP19	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_EStateFP19	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP19	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_EStateFP19	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP19	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP19	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP19	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP19	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP19	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP19	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP19	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP19	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP19	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP19	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP19	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP19	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP19	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP19	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_EStateFP19	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP19	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP19	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP19	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP19	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP19	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP19	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_EStateFP19	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP19	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP19	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP19	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP19	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP19	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP19	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_EStateFP19	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_EStateFP19	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP19	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP19	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP19	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP19	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP19	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP19	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_EStateFP19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_EStateFP19	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP19	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP19	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP19	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_EStateFP19	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP19	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP19	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_EStateFP19	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP19	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP19	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP19	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_EStateFP19	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP19	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP19	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP19	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP19	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP19	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_EStateFP19	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_EStateFP19	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP19	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP19	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP19	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP19	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP19	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_EStateFP19	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP19	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP19	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP19	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP19	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP19	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_EStateFP19	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_EStateFP19	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP19	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP19	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP19	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP19	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_EStateFP19	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_EStateFP19	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP19	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP19	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP19	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_EStateFP19	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_EStateFP19	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_EStateFP19	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP19	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP19	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_EStateFP19	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP19	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP19	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP19	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_EStateFP19	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_EStateFP19	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP19	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP19	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP19	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP19	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP19	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_EStateFP19	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP19	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP19	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_EStateFP19	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP21	CC(=O)N	C60355
PADEL_EStateFP21	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP21	c1(nc[nH]n1)N	C61825
PADEL_EStateFP21	Nc1ccccc1.Cl	C142041
PADEL_EStateFP21	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_EStateFP21	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP21	Clc1c(ccc(c1)N)C	C95749
PADEL_EStateFP21	NC(=N)NC#N	C461585
PADEL_EStateFP21	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_EStateFP21	CN(C)N	C57147
PADEL_EStateFP21	NC(=O)OC	C598550
PADEL_EStateFP21	NC(=O)c1cccnc1	C98920
PADEL_EStateFP21	CN(C(=O)N)N=O	C684935
PADEL_EStateFP21	Nc1ccc(cc1)N	C106503
PADEL_EStateFP21	NC(=S)N	C62566
PADEL_EStateFP21	Nc1ccccc1C.Cl	C636215
PADEL_EStateFP21	c1(O)ccccc1C(=O)N	C65452
PADEL_EStateFP21	OC(C)CN	C78966
PADEL_EStateFP21	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP21	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_EStateFP21	Nc1ccc(CCCC)cc1	C104132
PADEL_EStateFP21	CCCCCCCCCCCCN	C124221
PADEL_EStateFP21	NCCN1CCNCC1	C140318
PADEL_EStateFP21	CCCCCCCCCCN	C2016571
PADEL_EStateFP21	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_EStateFP21	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP21	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP21	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP21	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP21	NC(CO)(CO)CO	C77861
PADEL_EStateFP21	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_EStateFP21	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP21	C(C)(C)(C)N	C75649
PADEL_EStateFP21	C(CCN)CCCN	C124094
PADEL_EStateFP21	N(CCN)CCN	C111400
PADEL_EStateFP21	N(CCCN)(C)C	C109557
PADEL_EStateFP21	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP21	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_EStateFP21	O(c1ccc(N)cc1)CC	C156434
PADEL_EStateFP21	OCC(N)(C)C	C124685
PADEL_EStateFP21	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_EStateFP21	O=C(N)[O-].[NH4+]	C1111780
PADEL_EStateFP21	Nc1cccc(C)c1C	C1300738
PADEL_EStateFP21	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP21	NNC(=S)NN	C2231574
PADEL_EStateFP21	Nc1c(C)cccc1CC	C24549062
PADEL_EStateFP21	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_EStateFP21	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_EStateFP21	O=S(=O)(N)O	C5329146
PADEL_EStateFP21	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP21	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_EStateFP21	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_EStateFP21	Nc1ccc(CCCCC)cc1	C33228443
PADEL_EStateFP21	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_EStateFP21	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_EStateFP21	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP21	NCCCN1CCOCC1	C123002
PADEL_EStateFP21	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_EStateFP21	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP21	NNC(=S)NC	C6610293
PADEL_EStateFP21	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP21	NCCN.I.I	C5700492
PADEL_EStateFP21	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP21	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP21	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP21	Nc1ccc(CCC)cc1	C2696846
PADEL_EStateFP21	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_EStateFP21	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_EStateFP21	Nc1ccc(cc1)OCCCC	C4344552
PADEL_EStateFP21	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_EStateFP21	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP21	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP21	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP21	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_EStateFP21	NP(=O)(OC)SC	C10265926
PADEL_EStateFP21	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_EStateFP21	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP21	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP21	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP21	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP21	N#CN	C420042
PADEL_EStateFP21	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP21	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP21	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_EStateFP21	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_EStateFP21	NC(=O)C=C	C79061
PADEL_EStateFP21	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_EStateFP21	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_EStateFP21	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_EStateFP21	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP21	Nc1c(ccc(c1)Cl)N	C95830
PADEL_EStateFP21	Nc1ccc(cc1)Cl	C106478
PADEL_EStateFP21	Nc1cc(ccc1OC)C	C120718
PADEL_EStateFP21	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_EStateFP21	Nc1c(ccc(c1)N)C	C95807
PADEL_EStateFP21	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_EStateFP21	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP21	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP21	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP21	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP21	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_EStateFP21	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_EStateFP21	Nc1cc2c(cccc2)cc1	C91598
PADEL_EStateFP21	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_EStateFP21	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP21	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_EStateFP21	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_EStateFP21	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_EStateFP21	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP21	Nc1cc(ccc1)N	C108452
PADEL_EStateFP21	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_EStateFP21	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP21	C(=O)(N)N	C57136
PADEL_EStateFP21	NC(=O)OCC	C51796
PADEL_EStateFP21	Nc1ccc(C)cc1	C106490
PADEL_EStateFP21	OCCN	C141435
PADEL_EStateFP21	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_EStateFP21	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP21	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP21	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP21	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_EStateFP21	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_EStateFP21	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP21	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_EStateFP21	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP21	Nc1c(OC)cccc1	C90040
PADEL_EStateFP21	NC1CCCCC1	C108918
PADEL_EStateFP21	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_EStateFP21	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_EStateFP21	O=C(O)c1ccc(N)cc1	C150130
PADEL_EStateFP21	Oc1c(ccc(N)c1)C	C2835952
PADEL_EStateFP21	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_EStateFP21	Nc1cc(C)ccc1N	C496720
PADEL_EStateFP21	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_EStateFP21	C(=O)(N)NO	C127071
PADEL_EStateFP21	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP21	Nc1c(N)cccc1	C95545
PADEL_EStateFP21	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_EStateFP21	Nc1c(cccc1)C	C95534
PADEL_EStateFP21	Nc1c(cccc1C)C	C87627
PADEL_EStateFP21	Nc1cccc(C)c1	C108441
PADEL_EStateFP21	Nc1c(CC)cccc1CC	C579668
PADEL_EStateFP21	Nc1cccc(C)c1N	C2687254
PADEL_EStateFP21	O=C(N)C(=C)C	C79390
PADEL_EStateFP21	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP21	Nn1cnnc1	C584134
PADEL_EStateFP21	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_EStateFP21	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP21	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP21	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP21	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP21	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP21	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_EStateFP21	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP21	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP21	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP21	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP21	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP21	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP21	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP21	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP21	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP21	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP21	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP21	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP21	C(=O)N	C75127
PADEL_EStateFP21	NCCOCCOCCN	C929599
PADEL_EStateFP21	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP21	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP21	NCc1cccc(CN)c1	C1477550
PADEL_EStateFP21	NCCN	C107153
PADEL_EStateFP21	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_EStateFP21	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_EStateFP21	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_EStateFP21	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_EStateFP21	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_EStateFP21	Clc1ccc(N)cc1.Cl	C20265967
PADEL_EStateFP21	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_EStateFP21	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_EStateFP21	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_EStateFP21	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_EStateFP21	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_EStateFP21	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_EStateFP21	NNc1ccccc1.Cl	C59881
PADEL_EStateFP21	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP21	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_EStateFP21	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_EStateFP21	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_EStateFP21	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_EStateFP21	Nc1ccc(Br)cc1	C106401
PADEL_EStateFP21	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP21	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_EStateFP21	Nc1ccc(OC)cc1	C104949
PADEL_EStateFP21	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP21	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP21	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_EStateFP21	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP21	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_EStateFP21	CCCCCCCCCCCCN.Cl	C929737
PADEL_EStateFP21	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP21	NCCCOCCCCCCCC	C15930662
PADEL_EStateFP21	Nc1cccc(C)n1	C1824813
PADEL_EStateFP21	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_EStateFP21	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP21	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP21	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP21	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP21	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP21	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP21	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP21	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP21	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_EStateFP23	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP23	NC(=N)NC#N	C461585
PADEL_EStateFP23	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP23	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP23	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_EStateFP23	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP23	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_EStateFP23	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_EStateFP23	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP23	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP24	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP24	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP24	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_EStateFP24	CC(CNCC(C)O)O	C110974
PADEL_EStateFP24	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP24	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP24	NC(=N)NC#N	C461585
PADEL_EStateFP24	S=C(NCC)NCC	C105555
PADEL_EStateFP24	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP24	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP24	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_EStateFP24	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP24	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP24	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP24	OCCN1CCNCC1	C103764
PADEL_EStateFP24	CCNCCO	C110736
PADEL_EStateFP24	NCCN1CCNCC1	C140318
PADEL_EStateFP24	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP24	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP24	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP24	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP24	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP24	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP24	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP24	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP24	CNC	C124403
PADEL_EStateFP24	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP24	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP24	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP24	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP24	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_EStateFP24	N(CCN)CCN	C111400
PADEL_EStateFP24	OCNC(=O)NCO	C140954
PADEL_EStateFP24	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_EStateFP24	C1COCCN1	C110918
PADEL_EStateFP24	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_EStateFP24	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP24	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP24	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_EStateFP24	N1CCCCCC1	C111499
PADEL_EStateFP24	O=C1NCCC1	C616455
PADEL_EStateFP24	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP24	NNC(=S)NN	C2231574
PADEL_EStateFP24	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_EStateFP24	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_EStateFP24	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP24	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP24	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP24	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP24	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP24	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP24	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP24	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP24	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_EStateFP24	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP24	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP24	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP24	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP24	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP24	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP24	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP24	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP24	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP24	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP24	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP24	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_EStateFP24	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_EStateFP24	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP24	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP24	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP24	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP24	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP24	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP24	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP24	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP24	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP24	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP24	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP24	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP24	S=C(NC)NC	C534134
PADEL_EStateFP24	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_EStateFP24	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_EStateFP24	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP24	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP24	NNC(=S)NC	C6610293
PADEL_EStateFP24	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP24	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP24	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP24	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_EStateFP24	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP24	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP24	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP24	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP24	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP24	S=C1NCCN1	C96457
PADEL_EStateFP24	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP24	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP24	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP24	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP24	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_EStateFP24	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_EStateFP24	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP24	c1ccccc1Nc1ccccc1	C122394
PADEL_EStateFP24	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP24	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP24	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_EStateFP24	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP24	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP24	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP24	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP24	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP24	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP24	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP24	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_EStateFP24	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP24	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP24	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP24	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP24	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP24	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP24	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_EStateFP24	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_EStateFP24	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP24	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP24	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP24	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP24	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP24	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP24	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP24	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP24	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP24	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_EStateFP24	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP24	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP24	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP24	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP24	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP24	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP24	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_EStateFP24	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP24	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP24	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_EStateFP24	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP24	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP24	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP24	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_EStateFP24	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP24	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP24	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP24	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP24	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP24	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP24	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP24	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP24	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP24	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP24	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP24	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP24	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP24	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP24	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP24	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP24	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_EStateFP24	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP24	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_EStateFP24	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP24	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP24	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP24	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP24	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP24	O=C1CCCCCN1	C105602
PADEL_EStateFP24	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP24	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP24	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP24	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP24	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP24	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_EStateFP24	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP24	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP24	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP24	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP24	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP24	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP24	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_EStateFP24	C1CNCCN1	C110850
PADEL_EStateFP24	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP24	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP24	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP24	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP24	CCNc1cc(C)ccc1	C102272
PADEL_EStateFP24	OCCNCCO	C111422
PADEL_EStateFP24	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP24	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP24	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP24	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP24	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP24	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP24	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP24	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP24	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_EStateFP24	N(c1ccccc1)CC	C103695
PADEL_EStateFP24	C(=O)(N)NO	C127071
PADEL_EStateFP24	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_EStateFP24	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP24	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_EStateFP24	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP24	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_EStateFP24	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP24	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP24	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP24	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP24	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP24	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_EStateFP24	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP24	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP24	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP24	O=C(C)NC	C79163
PADEL_EStateFP24	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP24	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP24	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP24	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP24	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP24	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP24	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP24	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP24	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP24	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP24	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP24	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP24	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP24	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP24	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP24	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP24	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP24	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP24	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP24	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP24	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP24	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP24	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP24	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP24	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP24	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP24	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP24	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP24	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP24	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP24	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP24	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP24	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP24	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_EStateFP24	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP24	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP24	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP24	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP24	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP24	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP24	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP24	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP24	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP24	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP24	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP24	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP24	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP24	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP24	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP24	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP24	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP24	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP24	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP24	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP24	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP24	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP24	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP24	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP24	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP24	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP24	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP24	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP24	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP24	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP24	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP24	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP24	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP24	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP24	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP24	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP24	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP24	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP24	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP24	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP24	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP24	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP24	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP24	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP24	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP24	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP24	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP24	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP24	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP24	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP24	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP24	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP24	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_EStateFP24	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_EStateFP24	NNc1ccccc1.Cl	C59881
PADEL_EStateFP24	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP24	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP24	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP24	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP24	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP24	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP24	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP24	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP24	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP24	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_EStateFP24	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_EStateFP24	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP24	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP24	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP24	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_EStateFP24	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP24	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP24	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP24	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_EStateFP24	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_EStateFP24	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP24	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP24	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP24	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP24	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP24	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP24	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP24	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP24	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP24	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP24	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP24	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP24	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP24	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP24	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP24	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP24	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP24	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_EStateFP24	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP24	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP24	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP24	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP24	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP24	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP24	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP24	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP25	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP25	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP25	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_EStateFP25	CC(CNCC(C)O)O	C110974
PADEL_EStateFP25	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP25	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP25	NC(=N)NC#N	C461585
PADEL_EStateFP25	S=C(NCC)NCC	C105555
PADEL_EStateFP25	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP25	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP25	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_EStateFP25	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP25	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP25	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP25	OCCN1CCNCC1	C103764
PADEL_EStateFP25	CCNCCO	C110736
PADEL_EStateFP25	NCCN1CCNCC1	C140318
PADEL_EStateFP25	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP25	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP25	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP25	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP25	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP25	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP25	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP25	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP25	CNC	C124403
PADEL_EStateFP25	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP25	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP25	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP25	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP25	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_EStateFP25	N(CCN)CCN	C111400
PADEL_EStateFP25	OCNC(=O)NCO	C140954
PADEL_EStateFP25	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_EStateFP25	C1COCCN1	C110918
PADEL_EStateFP25	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_EStateFP25	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP25	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP25	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_EStateFP25	N1CCCCCC1	C111499
PADEL_EStateFP25	O=C1NCCC1	C616455
PADEL_EStateFP25	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP25	NNC(=S)NN	C2231574
PADEL_EStateFP25	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_EStateFP25	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_EStateFP25	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP25	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP25	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP25	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP25	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP25	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP25	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP25	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP25	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_EStateFP25	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP25	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP25	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP25	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP25	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP25	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP25	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP25	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP25	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP25	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP25	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP25	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_EStateFP25	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_EStateFP25	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP25	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP25	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP25	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP25	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP25	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP25	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP25	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP25	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP25	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP25	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP25	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP25	S=C(NC)NC	C534134
PADEL_EStateFP25	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_EStateFP25	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_EStateFP25	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP25	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP25	NNC(=S)NC	C6610293
PADEL_EStateFP25	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP25	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP25	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP25	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_EStateFP25	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP25	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP25	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP25	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP25	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP25	S=C1NCCN1	C96457
PADEL_EStateFP25	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP25	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP25	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP25	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP25	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_EStateFP25	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_EStateFP25	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP25	c1ccccc1Nc1ccccc1	C122394
PADEL_EStateFP25	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP25	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP25	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_EStateFP25	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP25	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP25	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP25	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP25	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP25	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP25	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP25	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_EStateFP25	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP25	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP25	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP25	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP25	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP25	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP25	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_EStateFP25	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_EStateFP25	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP25	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP25	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP25	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP25	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP25	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP25	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP25	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP25	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP25	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_EStateFP25	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP25	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP25	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP25	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP25	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP25	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP25	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_EStateFP25	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP25	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP25	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_EStateFP25	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP25	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP25	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP25	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_EStateFP25	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP25	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP25	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP25	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP25	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP25	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP25	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP25	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP25	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP25	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP25	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP25	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP25	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP25	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP25	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP25	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP25	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_EStateFP25	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP25	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_EStateFP25	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP25	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP25	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP25	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP25	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP25	O=C1CCCCCN1	C105602
PADEL_EStateFP25	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP25	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP25	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP25	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP25	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP25	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_EStateFP25	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP25	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP25	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP25	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP25	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP25	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP25	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_EStateFP25	C1CNCCN1	C110850
PADEL_EStateFP25	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP25	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP25	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP25	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP25	CCNc1cc(C)ccc1	C102272
PADEL_EStateFP25	OCCNCCO	C111422
PADEL_EStateFP25	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP25	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP25	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP25	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP25	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP25	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP25	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP25	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP25	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_EStateFP25	N(c1ccccc1)CC	C103695
PADEL_EStateFP25	C(=O)(N)NO	C127071
PADEL_EStateFP25	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_EStateFP25	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP25	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_EStateFP25	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP25	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_EStateFP25	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP25	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP25	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP25	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP25	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP25	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_EStateFP25	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP25	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP25	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP25	O=C(C)NC	C79163
PADEL_EStateFP25	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP25	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP25	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP25	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP25	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP25	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP25	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP25	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP25	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP25	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP25	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP25	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP25	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP25	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP25	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP25	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP25	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP25	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP25	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP25	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP25	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP25	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP25	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP25	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP25	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP25	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP25	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP25	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP25	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP25	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP25	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP25	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP25	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP25	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_EStateFP25	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP25	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP25	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP25	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP25	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP25	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP25	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP25	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP25	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP25	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP25	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP25	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP25	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP25	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP25	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP25	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP25	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP25	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP25	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP25	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP25	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP25	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP25	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP25	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP25	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP25	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP25	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP25	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP25	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP25	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP25	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP25	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP25	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP25	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP25	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP25	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP25	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP25	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP25	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP25	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP25	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP25	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP25	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP25	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP25	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP25	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP25	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP25	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP25	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP25	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP25	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP25	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP25	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_EStateFP25	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_EStateFP25	NNc1ccccc1.Cl	C59881
PADEL_EStateFP25	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP25	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP25	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP25	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP25	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP25	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP25	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP25	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP25	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP25	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_EStateFP25	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_EStateFP25	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP25	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP25	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP25	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_EStateFP25	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP25	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP25	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP25	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_EStateFP25	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_EStateFP25	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP25	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP25	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP25	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP25	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP25	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP25	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP25	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP25	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP25	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP25	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP25	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP25	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP25	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP25	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP25	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP25	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP25	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_EStateFP25	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP25	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP25	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP25	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP25	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP25	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP25	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP25	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP26	C=CC#N	C107131
PADEL_EStateFP26	NC(=N)NC#N	C461585
PADEL_EStateFP26	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP26	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_EStateFP26	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP26	N#CCC#N	C109773
PADEL_EStateFP26	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_EStateFP26	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP26	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_EStateFP26	CC(=C)C#N	C126987
PADEL_EStateFP26	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_EStateFP26	C(C)(C)(O)C#N	C75865
PADEL_EStateFP26	N#CC(CCC#N)C	C4553622
PADEL_EStateFP26	N#CC(C)C	C78820
PADEL_EStateFP26	N#C[S-].[NH4+]	C1762954
PADEL_EStateFP26	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP26	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP26	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP26	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_EStateFP26	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP26	N#Cc1c(O)cccc1	C611201
PADEL_EStateFP26	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP26	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_EStateFP26	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_EStateFP26	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP26	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP26	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP26	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_EStateFP26	C(SC#N)SC#N	C6317186
PADEL_EStateFP26	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP26	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_EStateFP26	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_EStateFP26	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP26	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_EStateFP26	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_EStateFP26	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP26	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP26	N#CN	C420042
PADEL_EStateFP26	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP26	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP26	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP26	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP26	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP26	N#CCCCCC#N	C111693
PADEL_EStateFP26	N#Cc1cnccc1	C100549
PADEL_EStateFP26	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP26	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP26	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP26	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_EStateFP26	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP26	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP26	N#CC(Br)Br	C3252435
PADEL_EStateFP26	N#Cc1ccccc1	C100470
PADEL_EStateFP26	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_EStateFP26	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_EStateFP26	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_EStateFP26	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP26	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_EStateFP26	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP26	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_EStateFP26	N#CSCCCCCCCCCCCC	C765151
PADEL_EStateFP26	N#C[Au-]C#N.[K+]	C13967505
PADEL_EStateFP26	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_EStateFP26	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP26	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP26	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP28	C=CCN=C=S	C57067
PADEL_EStateFP28	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_EStateFP28	CN(C(=O)N)N=O	C684935
PADEL_EStateFP28	CN(N=O)C	C62759
PADEL_EStateFP28	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_EStateFP28	O=NN1CCCC1	C930552
PADEL_EStateFP28	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_EStateFP28	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP28	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP28	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_EStateFP28	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP28	ON=C1CCCCC1	C100641
PADEL_EStateFP28	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP28	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP28	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP28	ON=CCCC	C110690
PADEL_EStateFP28	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP28	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP28	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP28	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP28	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP28	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP28	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP28	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_EStateFP28	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP28	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP28	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP28	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP28	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_EStateFP28	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_EStateFP28	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP28	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP28	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP28	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP28	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP28	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP28	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP28	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP28	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP28	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP28	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_EStateFP28	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP28	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP28	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP28	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP28	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP28	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP28	S=C=NC	C556616
PADEL_EStateFP28	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP28	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP28	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP28	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP28	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP28	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP28	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP28	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP28	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP28	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP28	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP28	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP28	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP28	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP28	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP28	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP28	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP28	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP28	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP28	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP28	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP28	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP28	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP28	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP28	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP28	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_EStateFP28	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_EStateFP28	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP28	O=N[O-].[Na+]	C7632000
PADEL_EStateFP28	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP28	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP28	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP28	CCN(CC)N=O	C55185
PADEL_EStateFP28	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_EStateFP28	O=NN(CCC)CCC	C621647
PADEL_EStateFP28	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP28	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_EStateFP28	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP28	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP28	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP28	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_EStateFP28	CCC(=NO)C	C96297
PADEL_EStateFP28	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP28	O=C=NCCCCCCN=C=O	C822060
PADEL_EStateFP28	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP28	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP28	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_EStateFP28	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_EStateFP28	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP28	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP28	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP28	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP28	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP28	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP28	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP28	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP28	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_EStateFP28	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP28	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP28	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP28	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_EStateFP28	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP28	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP28	S=C=NCCCSC	C505793
PADEL_EStateFP29	C=CCN=C=S	C57067
PADEL_EStateFP29	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_EStateFP29	CN(C(=O)N)N=O	C684935
PADEL_EStateFP29	CN(N=O)C	C62759
PADEL_EStateFP29	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_EStateFP29	O=NN1CCCC1	C930552
PADEL_EStateFP29	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_EStateFP29	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP29	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP29	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_EStateFP29	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP29	ON=C1CCCCC1	C100641
PADEL_EStateFP29	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP29	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP29	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP29	ON=CCCC	C110690
PADEL_EStateFP29	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP29	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP29	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP29	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP29	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP29	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP29	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP29	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_EStateFP29	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP29	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP29	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP29	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP29	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_EStateFP29	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_EStateFP29	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP29	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP29	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP29	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP29	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP29	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP29	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP29	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP29	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP29	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP29	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_EStateFP29	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP29	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP29	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP29	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP29	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP29	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP29	S=C=NC	C556616
PADEL_EStateFP29	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP29	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP29	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP29	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP29	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP29	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP29	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP29	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP29	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP29	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP29	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP29	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP29	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP29	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP29	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP29	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP29	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP29	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP29	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP29	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP29	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP29	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP29	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP29	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP29	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP29	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_EStateFP29	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_EStateFP29	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP29	O=N[O-].[Na+]	C7632000
PADEL_EStateFP29	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP29	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP29	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP29	CCN(CC)N=O	C55185
PADEL_EStateFP29	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_EStateFP29	O=NN(CCC)CCC	C621647
PADEL_EStateFP29	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP29	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_EStateFP29	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP29	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP29	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP29	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_EStateFP29	CCC(=NO)C	C96297
PADEL_EStateFP29	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP29	O=C=NCCCCCCN=C=O	C822060
PADEL_EStateFP29	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP29	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP29	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_EStateFP29	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_EStateFP29	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP29	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP29	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP29	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP29	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP29	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP29	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP29	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP29	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_EStateFP29	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP29	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP29	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP29	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_EStateFP29	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP29	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_EStateFP29	S=C=NCCCSC	C505793
PADEL_EStateFP30	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP30	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP30	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP30	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_EStateFP30	CN(C)C(=O)C	C127195
PADEL_EStateFP30	CN(CCO)C	C108010
PADEL_EStateFP30	CN(C)N	C57147
PADEL_EStateFP30	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP30	CN(C(=O)N)N=O	C684935
PADEL_EStateFP30	CN(N=O)C	C62759
PADEL_EStateFP30	O=NN1CCCC1	C930552
PADEL_EStateFP30	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP30	OCCN1CCNCC1	C103764
PADEL_EStateFP30	NCCN1CCNCC1	C140318
PADEL_EStateFP30	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP30	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_EStateFP30	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP30	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP30	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP30	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP30	N(C)(C)c1cccc(O)c1	C99070
PADEL_EStateFP30	N(CCCN)(C)C	C109557
PADEL_EStateFP30	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP30	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP30	N(C)(C)C	C75503
PADEL_EStateFP30	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_EStateFP30	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP30	CCCCCCCCCCCCN(C)C	C112185
PADEL_EStateFP30	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP30	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP30	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP30	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP30	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP30	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP30	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_EStateFP30	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP30	CN1CCOCC1	C109024
PADEL_EStateFP30	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP30	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP30	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP30	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP30	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP30	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_EStateFP30	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP30	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP30	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP30	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP30	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP30	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP30	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP30	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP30	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP30	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP30	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP30	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP30	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP30	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP30	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP30	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP30	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP30	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP30	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP30	Oc1ccccc1CN(C)C	C120650
PADEL_EStateFP30	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_EStateFP30	NCCCN1CCOCC1	C123002
PADEL_EStateFP30	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP30	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP30	OCCN(CC)CCO	C139877
PADEL_EStateFP30	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP30	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP30	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP30	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_EStateFP30	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP30	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP30	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP30	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP30	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP30	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_EStateFP30	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP30	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP30	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_EStateFP30	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP30	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP30	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP30	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP30	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP30	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP30	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP30	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP30	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP30	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP30	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP30	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP30	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP30	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP30	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP30	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP30	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP30	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP30	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP30	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP30	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP30	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP30	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP30	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP30	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP30	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP30	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP30	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP30	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP30	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP30	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP30	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP30	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP30	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP30	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP30	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP30	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP30	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP30	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP30	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP30	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP30	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP30	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP30	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP30	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP30	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP30	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP30	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP30	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP30	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP30	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP30	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP30	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP30	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP30	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP30	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP30	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP30	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP30	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP30	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP30	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP30	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP30	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP30	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP30	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP30	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP30	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP30	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP30	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP30	CN(c1ccccc1)C	C121697
PADEL_EStateFP30	O=C(N(C)C)Cl	C79447
PADEL_EStateFP30	CN(C=O)C	C68122
PADEL_EStateFP30	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP30	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP30	C1N2CN3CN(C2)CN1C3	C100970
PADEL_EStateFP30	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP30	O=C1N(CCC1)C	C872504
PADEL_EStateFP30	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_EStateFP30	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP30	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_EStateFP30	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP30	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP30	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP30	CCN(CC)N=O	C55185
PADEL_EStateFP30	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_EStateFP30	O=NN(CCC)CCC	C621647
PADEL_EStateFP30	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP30	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP30	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP30	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP30	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP30	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP30	OCCN(CCO)CCO	C102716
PADEL_EStateFP30	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP30	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP30	CCN(CC)c1ccccc1	C91667
PADEL_EStateFP30	CN(C)c1ccc(C)cc1	C99978
PADEL_EStateFP30	CCN(CCO)CC	C100378
PADEL_EStateFP30	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP30	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP30	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP30	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP30	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP30	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP30	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP30	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP30	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP30	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP30	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP30	N(CCCC)(CCCC)CCCC	C102829
PADEL_EStateFP30	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP30	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP30	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP30	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP30	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP30	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP30	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP30	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP30	CCCCCCCCN(C)C	C7378996
PADEL_EStateFP30	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP30	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP30	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP30	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP30	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP30	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP30	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_EStateFP30	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_EStateFP30	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP30	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP30	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP30	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP30	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP30	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP30	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP30	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP30	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP30	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_EStateFP30	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP30	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP30	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP30	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP30	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP30	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP30	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP30	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP30	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP30	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP30	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP30	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP30	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP30	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP30	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP30	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP30	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP30	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP30	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP30	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP30	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP30	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP30	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP30	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP30	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP30	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP30	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP30	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP30	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP30	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP30	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP30	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP30	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP30	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP30	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP30	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP30	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP30	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP30	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP30	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP30	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP30	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP30	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP30	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP30	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP30	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP30	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP30	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP30	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP30	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP30	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP30	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP30	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP30	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP30	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP30	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP30	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP30	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP30	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP30	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP30	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP30	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP30	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP30	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP30	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP30	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP30	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP30	N(CCN(C)C)(C)C	C110189
PADEL_EStateFP30	CCN(CC)CC	C121448
PADEL_EStateFP30	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP30	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP30	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP30	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP30	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_EStateFP30	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP30	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP30	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP30	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP30	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP30	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP30	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_EStateFP30	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP30	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP30	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP30	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP30	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP30	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP30	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP30	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_EStateFP30	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP30	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP30	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP30	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP30	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP30	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP30	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_EStateFP30	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP30	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP30	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP30	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP30	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP30	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP30	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_EStateFP30	O=CN1CCCCC1	C2591868
PADEL_EStateFP30	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP30	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP30	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP30	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP30	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP30	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP30	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP30	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP30	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP30	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP30	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP30	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP30	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP30	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP30	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP30	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP30	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP30	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP31	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP31	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP31	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP31	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_EStateFP31	CN(C)C(=O)C	C127195
PADEL_EStateFP31	CN(CCO)C	C108010
PADEL_EStateFP31	CN(C)N	C57147
PADEL_EStateFP31	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP31	CN(C(=O)N)N=O	C684935
PADEL_EStateFP31	CN(N=O)C	C62759
PADEL_EStateFP31	O=NN1CCCC1	C930552
PADEL_EStateFP31	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP31	OCCN1CCNCC1	C103764
PADEL_EStateFP31	NCCN1CCNCC1	C140318
PADEL_EStateFP31	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP31	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_EStateFP31	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP31	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP31	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP31	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP31	N(C)(C)c1cccc(O)c1	C99070
PADEL_EStateFP31	N(CCCN)(C)C	C109557
PADEL_EStateFP31	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP31	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP31	N(C)(C)C	C75503
PADEL_EStateFP31	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_EStateFP31	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP31	CCCCCCCCCCCCN(C)C	C112185
PADEL_EStateFP31	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP31	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP31	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP31	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP31	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP31	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP31	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_EStateFP31	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP31	CN1CCOCC1	C109024
PADEL_EStateFP31	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP31	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP31	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP31	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP31	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP31	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_EStateFP31	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP31	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP31	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP31	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP31	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP31	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP31	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP31	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP31	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP31	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP31	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP31	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP31	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP31	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP31	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP31	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP31	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP31	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP31	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP31	Oc1ccccc1CN(C)C	C120650
PADEL_EStateFP31	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_EStateFP31	NCCCN1CCOCC1	C123002
PADEL_EStateFP31	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP31	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP31	OCCN(CC)CCO	C139877
PADEL_EStateFP31	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP31	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP31	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP31	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_EStateFP31	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP31	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP31	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP31	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP31	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP31	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_EStateFP31	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP31	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP31	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_EStateFP31	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP31	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP31	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP31	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP31	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP31	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP31	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP31	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP31	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP31	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP31	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP31	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP31	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP31	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP31	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP31	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP31	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP31	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP31	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP31	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP31	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP31	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP31	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP31	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP31	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP31	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP31	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP31	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP31	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP31	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP31	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP31	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP31	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP31	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP31	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP31	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP31	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP31	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP31	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP31	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP31	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP31	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP31	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP31	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP31	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP31	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP31	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP31	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP31	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP31	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP31	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP31	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP31	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP31	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP31	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP31	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP31	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP31	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP31	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP31	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP31	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP31	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP31	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP31	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP31	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP31	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP31	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP31	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP31	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP31	CN(c1ccccc1)C	C121697
PADEL_EStateFP31	O=C(N(C)C)Cl	C79447
PADEL_EStateFP31	CN(C=O)C	C68122
PADEL_EStateFP31	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP31	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP31	C1N2CN3CN(C2)CN1C3	C100970
PADEL_EStateFP31	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP31	O=C1N(CCC1)C	C872504
PADEL_EStateFP31	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_EStateFP31	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP31	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_EStateFP31	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP31	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP31	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP31	CCN(CC)N=O	C55185
PADEL_EStateFP31	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_EStateFP31	O=NN(CCC)CCC	C621647
PADEL_EStateFP31	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP31	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP31	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP31	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP31	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP31	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP31	OCCN(CCO)CCO	C102716
PADEL_EStateFP31	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP31	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP31	CCN(CC)c1ccccc1	C91667
PADEL_EStateFP31	CN(C)c1ccc(C)cc1	C99978
PADEL_EStateFP31	CCN(CCO)CC	C100378
PADEL_EStateFP31	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP31	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP31	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP31	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP31	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP31	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP31	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP31	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP31	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP31	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP31	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP31	N(CCCC)(CCCC)CCCC	C102829
PADEL_EStateFP31	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP31	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP31	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP31	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP31	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP31	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP31	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP31	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP31	CCCCCCCCN(C)C	C7378996
PADEL_EStateFP31	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP31	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP31	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP31	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP31	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP31	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP31	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_EStateFP31	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_EStateFP31	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP31	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP31	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP31	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP31	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP31	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP31	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP31	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP31	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP31	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_EStateFP31	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP31	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP31	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP31	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP31	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP31	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP31	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP31	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP31	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP31	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP31	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP31	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP31	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP31	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP31	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP31	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP31	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP31	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP31	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP31	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP31	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP31	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP31	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP31	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP31	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP31	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP31	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP31	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP31	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP31	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP31	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP31	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP31	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP31	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP31	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP31	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP31	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP31	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP31	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP31	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP31	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP31	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP31	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP31	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP31	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP31	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP31	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP31	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP31	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP31	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP31	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP31	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP31	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP31	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP31	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP31	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP31	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP31	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP31	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP31	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP31	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP31	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP31	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP31	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP31	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP31	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP31	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP31	N(CCN(C)C)(C)C	C110189
PADEL_EStateFP31	CCN(CC)CC	C121448
PADEL_EStateFP31	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP31	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP31	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP31	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP31	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_EStateFP31	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP31	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP31	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP31	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP31	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP31	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP31	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_EStateFP31	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP31	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP31	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP31	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP31	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP31	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP31	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP31	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_EStateFP31	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP31	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP31	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP31	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP31	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP31	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP31	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_EStateFP31	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP31	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP31	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP31	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP31	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP31	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP31	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_EStateFP31	O=CN1CCCCC1	C2591868
PADEL_EStateFP31	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP31	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP31	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP31	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP31	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP31	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP31	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP31	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP31	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP31	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP31	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP31	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP31	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP31	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP31	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP31	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP31	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP31	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP32	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_EStateFP32	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP32	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP32	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_EStateFP32	CN(C)C(=O)C	C127195
PADEL_EStateFP32	CN(CCO)C	C108010
PADEL_EStateFP32	CN(C)N	C57147
PADEL_EStateFP32	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP32	CN(C(=O)N)N=O	C684935
PADEL_EStateFP32	CN(N=O)C	C62759
PADEL_EStateFP32	O=NN1CCCC1	C930552
PADEL_EStateFP32	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP32	OCCN1CCNCC1	C103764
PADEL_EStateFP32	NCCN1CCNCC1	C140318
PADEL_EStateFP32	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP32	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_EStateFP32	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP32	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP32	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP32	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP32	N(C)(C)c1cccc(O)c1	C99070
PADEL_EStateFP32	N(CCCN)(C)C	C109557
PADEL_EStateFP32	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP32	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP32	N(C)(C)C	C75503
PADEL_EStateFP32	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_EStateFP32	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP32	CCCCCCCCCCCCN(C)C	C112185
PADEL_EStateFP32	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP32	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP32	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP32	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP32	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP32	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP32	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_EStateFP32	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP32	CN1CCOCC1	C109024
PADEL_EStateFP32	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP32	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP32	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP32	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP32	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP32	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_EStateFP32	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP32	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP32	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP32	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP32	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP32	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP32	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP32	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP32	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP32	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP32	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP32	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP32	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP32	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP32	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP32	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_EStateFP32	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP32	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP32	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP32	Oc1ccccc1CN(C)C	C120650
PADEL_EStateFP32	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_EStateFP32	NCCCN1CCOCC1	C123002
PADEL_EStateFP32	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP32	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP32	OCCN(CC)CCO	C139877
PADEL_EStateFP32	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP32	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP32	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP32	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_EStateFP32	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP32	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP32	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP32	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP32	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP32	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_EStateFP32	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP32	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP32	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_EStateFP32	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP32	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP32	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP32	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP32	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP32	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP32	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP32	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP32	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP32	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP32	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP32	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP32	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP32	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP32	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_EStateFP32	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP32	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP32	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP32	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP32	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP32	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP32	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP32	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP32	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP32	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP32	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP32	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP32	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP32	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP32	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP32	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP32	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP32	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP32	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP32	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP32	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP32	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP32	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP32	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP32	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP32	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP32	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP32	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP32	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP32	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP32	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP32	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP32	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP32	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP32	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP32	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP32	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP32	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP32	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP32	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP32	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP32	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP32	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP32	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP32	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP32	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP32	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP32	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP32	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP32	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP32	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP32	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP32	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP32	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP32	CN(c1ccccc1)C	C121697
PADEL_EStateFP32	O=C(N(C)C)Cl	C79447
PADEL_EStateFP32	CN(C=O)C	C68122
PADEL_EStateFP32	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP32	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_EStateFP32	C1N2CN3CN(C2)CN1C3	C100970
PADEL_EStateFP32	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP32	O=C1N(CCC1)C	C872504
PADEL_EStateFP32	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_EStateFP32	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP32	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_EStateFP32	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP32	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP32	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP32	CCN(CC)N=O	C55185
PADEL_EStateFP32	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_EStateFP32	O=NN(CCC)CCC	C621647
PADEL_EStateFP32	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP32	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP32	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP32	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP32	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP32	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP32	OCCN(CCO)CCO	C102716
PADEL_EStateFP32	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP32	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP32	CCN(CC)c1ccccc1	C91667
PADEL_EStateFP32	CN(C)c1ccc(C)cc1	C99978
PADEL_EStateFP32	CCN(CCO)CC	C100378
PADEL_EStateFP32	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP32	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP32	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP32	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP32	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP32	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP32	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP32	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP32	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP32	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP32	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP32	N(CCCC)(CCCC)CCCC	C102829
PADEL_EStateFP32	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP32	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP32	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP32	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP32	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP32	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP32	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP32	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP32	CCCCCCCCN(C)C	C7378996
PADEL_EStateFP32	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP32	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP32	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP32	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP32	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP32	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP32	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_EStateFP32	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_EStateFP32	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP32	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP32	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP32	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP32	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP32	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP32	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP32	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP32	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP32	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_EStateFP32	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP32	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP32	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP32	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP32	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP32	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP32	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP32	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP32	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP32	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP32	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP32	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP32	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP32	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP32	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP32	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP32	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP32	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP32	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP32	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP32	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP32	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP32	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP32	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP32	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP32	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP32	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP32	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP32	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP32	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP32	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP32	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP32	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP32	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP32	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP32	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP32	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP32	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP32	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP32	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP32	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP32	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP32	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP32	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP32	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP32	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP32	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP32	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP32	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP32	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP32	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP32	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP32	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP32	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP32	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP32	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP32	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP32	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP32	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP32	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP32	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP32	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP32	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP32	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP32	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP32	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP32	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP32	N(CCN(C)C)(C)C	C110189
PADEL_EStateFP32	CCN(CC)CC	C121448
PADEL_EStateFP32	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP32	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP32	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP32	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP32	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_EStateFP32	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP32	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP32	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP32	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP32	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP32	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP32	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_EStateFP32	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP32	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP32	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_EStateFP32	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP32	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP32	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP32	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP32	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_EStateFP32	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP32	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP32	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP32	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP32	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP32	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP32	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_EStateFP32	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP32	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP32	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP32	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP32	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP32	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP32	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_EStateFP32	O=CN1CCCCC1	C2591868
PADEL_EStateFP32	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP32	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP32	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP32	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP32	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP32	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP32	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP32	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_EStateFP32	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP32	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP32	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP32	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP32	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP32	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP32	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP32	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP32	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP32	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP33	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_EStateFP33	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_EStateFP33	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP33	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP33	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_EStateFP33	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_EStateFP33	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP33	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_EStateFP33	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_EStateFP33	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_EStateFP33	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_EStateFP33	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_EStateFP33	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_EStateFP33	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_EStateFP33	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_EStateFP33	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_EStateFP33	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP33	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_EStateFP33	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP33	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_EStateFP33	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_EStateFP33	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_EStateFP33	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_EStateFP33	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_EStateFP33	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_EStateFP34	C=CCO	C107186
PADEL_EStateFP34	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP34	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP34	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_EStateFP34	CC(CNCC(C)O)O	C110974
PADEL_EStateFP34	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_EStateFP34	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP34	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP34	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_EStateFP34	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_EStateFP34	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_EStateFP34	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP34	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP34	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_EStateFP34	CN(CCO)C	C108010
PADEL_EStateFP34	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_EStateFP34	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_EStateFP34	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP34	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP34	OC(CO)CCl	C96242
PADEL_EStateFP34	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP34	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_EStateFP34	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_EStateFP34	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP34	COc1ccc(cc1)O	C150765
PADEL_EStateFP34	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_EStateFP34	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_EStateFP34	OC(=O)c1cccnc1	C59676
PADEL_EStateFP34	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_EStateFP34	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP34	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP34	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_EStateFP34	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP34	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_EStateFP34	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP34	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP34	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP34	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP34	OCCOCCOCCOCCCC	C143226
PADEL_EStateFP34	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP34	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP34	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_EStateFP34	OC(=O)CCCC	C109524
PADEL_EStateFP34	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP34	c1(O)ccccc1C(=O)N	C65452
PADEL_EStateFP34	OCCC	C71238
PADEL_EStateFP34	OC(C)CN	C78966
PADEL_EStateFP34	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_EStateFP34	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_EStateFP34	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_EStateFP34	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_EStateFP34	O=Cc1ccccc1O	C90028
PADEL_EStateFP34	Oc1cccc2ccccc12	C90153
PADEL_EStateFP34	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_EStateFP34	ON=C1CCCCC1	C100641
PADEL_EStateFP34	OCCN1CCNCC1	C103764
PADEL_EStateFP34	Oc1ccc(Cl)cc1	C106489
PADEL_EStateFP34	CC(O)CC(C)(C)O	C107415
PADEL_EStateFP34	C1CCCCC1O	C108930
PADEL_EStateFP34	C(O)C#CCO	C110656
PADEL_EStateFP34	CCNCCO	C110736
PADEL_EStateFP34	CCCCCCO	C111273
PADEL_EStateFP34	CCCCCCCO	C111706
PADEL_EStateFP34	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP34	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_EStateFP34	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP34	Oc1ccc(CC)cc1	C123079
PADEL_EStateFP34	CCCCCCCCCO	C143088
PADEL_EStateFP34	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_EStateFP34	Oc1ccc(CCC)cc1	C645567
PADEL_EStateFP34	C=CC(=O)OCCO	C818611
PADEL_EStateFP34	CC/C=C\CCO	C928961
PADEL_EStateFP34	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_EStateFP34	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_EStateFP34	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_EStateFP34	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_EStateFP34	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_EStateFP34	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP34	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_EStateFP34	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP34	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP34	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_EStateFP34	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_EStateFP34	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_EStateFP34	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_EStateFP34	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_EStateFP34	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP34	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_EStateFP34	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_EStateFP34	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_EStateFP34	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_EStateFP34	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP34	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_EStateFP34	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_EStateFP34	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_EStateFP34	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_EStateFP34	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP34	c1(c(CC)cccc1)O	C90006
PADEL_EStateFP34	c1c(O)cccc1CC	C620177
PADEL_EStateFP34	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP34	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_EStateFP34	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_EStateFP34	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP34	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP34	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP34	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP34	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_EStateFP34	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP34	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP34	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP34	c1cccc(OC)c1O	C90051
PADEL_EStateFP34	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP34	C(=O)(O)C(C)O	C50215
PADEL_EStateFP34	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_EStateFP34	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP34	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP34	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP34	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_EStateFP34	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_EStateFP34	C(=O)(O)CCC(=O)O	C110156
PADEL_EStateFP34	NC(CO)(CO)CO	C77861
PADEL_EStateFP34	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_EStateFP34	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP34	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP34	Cc1cc(O)ccc1	C108394
PADEL_EStateFP34	OP(=O)(O)O	C7664382
PADEL_EStateFP34	CC(O)COC	C107982
PADEL_EStateFP34	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP34	ON=CCCC	C110690
PADEL_EStateFP34	OCCCCO	C110634
PADEL_EStateFP34	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP34	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP34	Oc1cc(Cl)ccc1Cl	C583788
PADEL_EStateFP34	N(C)(C)c1cccc(O)c1	C99070
PADEL_EStateFP34	OCNC(=O)NCO	C140954
PADEL_EStateFP34	Cc1c(C)cccc1O	C526750
PADEL_EStateFP34	Cc1cc(C)cc(O)c1	C108689
PADEL_EStateFP34	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP34	OCC(C(O)CCC)CC	C94962
PADEL_EStateFP34	c1c(CO)occ1	C98000
PADEL_EStateFP34	C(=O)(O)CO	C79141
PADEL_EStateFP34	C(C)(C)(O)C#N	C75865
PADEL_EStateFP34	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_EStateFP34	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_EStateFP34	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_EStateFP34	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP34	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP34	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP34	C(=O)(O)C(=O)O	C144627
PADEL_EStateFP34	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_EStateFP34	O=C(O)CS	C68111
PADEL_EStateFP34	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP34	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP34	OCCc1ccccc1	C60128
PADEL_EStateFP34	O=C(O)c1ccccc1O	C69727
PADEL_EStateFP34	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_EStateFP34	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_EStateFP34	O=C(O)c1ccc(O)cc1	C99967
PADEL_EStateFP34	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_EStateFP34	OCCOCCOCCOC	C112356
PADEL_EStateFP34	OCCOCCOCCOCCO	C112607
PADEL_EStateFP34	OCC(CO)(CO)CO	C115775
PADEL_EStateFP34	OC(CCCCCC)C	C123966
PADEL_EStateFP34	OCC(N)(C)C	C124685
PADEL_EStateFP34	OCC(C)(C)CO	C126307
PADEL_EStateFP34	Oc1ccc2ccccc2c1	C135193
PADEL_EStateFP34	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP34	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP34	OC(C)COc1ccccc1	C770354
PADEL_EStateFP34	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_EStateFP34	OCCOCCOCCOCCOCCCC	C1559348
PADEL_EStateFP34	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_EStateFP34	OC1CCCCCCCCCCC1	C1724396
PADEL_EStateFP34	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_EStateFP34	OCCOCCC	C2807309
PADEL_EStateFP34	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP34	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP34	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_EStateFP34	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP34	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_EStateFP34	CC(CO)O	C25322694
PADEL_EStateFP34	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP34	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP34	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_EStateFP34	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP34	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_EStateFP34	OC(CCCC(C)C)(C)CC	C78693
PADEL_EStateFP34	OCC1OCCC1	C97994
PADEL_EStateFP34	O=C(c1ccc(O)cc1)C	C99934
PADEL_EStateFP34	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_EStateFP34	OC(C)COCCC	C1569013
PADEL_EStateFP34	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_EStateFP34	OCC(CCC)CCCCC	C10042598
PADEL_EStateFP34	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP34	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP34	OC1CC(CCC1C(C)C)C	C1490046
PADEL_EStateFP34	OCCC(C)CC(C)(C)C	C3452979
PADEL_EStateFP34	OC(OCCCC)CC	C29387868
PADEL_EStateFP34	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_EStateFP34	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP34	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_EStateFP34	OCn1nc(C)cc1C	C85264331
PADEL_EStateFP34	OCCSCCCCCCCC	C3547339
PADEL_EStateFP34	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP34	OC1CCCC1	C96413
PADEL_EStateFP34	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP34	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP34	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_EStateFP34	O=S(=O)(N)O	C5329146
PADEL_EStateFP34	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP34	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP34	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP34	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP34	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_EStateFP34	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP34	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_EStateFP34	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP34	OC(CCCCC)C=C	C3391864
PADEL_EStateFP34	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_EStateFP34	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_EStateFP34	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_EStateFP34	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP34	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_EStateFP34	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP34	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP34	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_EStateFP34	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_EStateFP34	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_EStateFP34	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP34	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP34	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP34	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_EStateFP34	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_EStateFP34	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP34	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP34	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP34	O=C(c1ccccc1O)C	C118934
PADEL_EStateFP34	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP34	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_EStateFP34	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_EStateFP34	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP34	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_EStateFP34	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_EStateFP34	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_EStateFP34	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_EStateFP34	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_EStateFP34	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_EStateFP34	CC(O)COCC	C1569024
PADEL_EStateFP34	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP34	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP34	Oc1ccccc1CN(C)C	C120650
PADEL_EStateFP34	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_EStateFP34	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_EStateFP34	OC(CCCC(C)C)(C)C	C13254347
PADEL_EStateFP34	OC(CC(C)C)(C)C#C	C107540
PADEL_EStateFP34	OCC=Cc1ccccc1	C104541
PADEL_EStateFP34	O=c1ccoc(CC)c1O	C4940118
PADEL_EStateFP34	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_EStateFP34	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_EStateFP34	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP34	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_EStateFP34	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP34	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_EStateFP34	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP34	N#Cc1c(O)cccc1	C611201
PADEL_EStateFP34	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP34	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_EStateFP34	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_EStateFP34	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP34	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP34	OC1CC(C)(C)CC(C)C1	C116029
PADEL_EStateFP34	OP(OCC)OCC	C762049
PADEL_EStateFP34	OCCOCC(CC)CCCC	C1559359
PADEL_EStateFP34	OCCN(CC)CCO	C139877
PADEL_EStateFP34	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_EStateFP34	O=C(CF)O	C144490
PADEL_EStateFP34	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP34	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP34	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP34	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_EStateFP34	Oc1cc(C(C)C)ccc1C	C499752
PADEL_EStateFP34	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_EStateFP34	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_EStateFP34	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_EStateFP34	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP34	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP34	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP34	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_EStateFP34	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP34	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_EStateFP34	Oc1c(OCC)cccc1	C94713
PADEL_EStateFP34	Oc1ccc(C(C)C)cc1	C99898
PADEL_EStateFP34	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP34	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP34	OC(CO)c1ccccc1	C93561
PADEL_EStateFP34	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP34	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP34	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP34	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_EStateFP34	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP34	Oc1c(C(C)C)cccc1	C88697
PADEL_EStateFP34	Oc1cc(C(C)C)ccc1	C618451
PADEL_EStateFP34	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP34	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP34	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_EStateFP34	OCC(CCCC)CCCCCC	C3913028
PADEL_EStateFP34	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_EStateFP34	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_EStateFP34	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP34	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP34	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_EStateFP34	Oc1ccc(CCCC)cc1	C1638228
PADEL_EStateFP34	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP34	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP34	OCCOCC(C)OCCO	C9003116
PADEL_EStateFP34	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_EStateFP34	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_EStateFP34	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP34	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP34	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP34	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_EStateFP34	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP34	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP34	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_EStateFP34	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_EStateFP34	OC1CCC(CCCC)CC1	C70568604
PADEL_EStateFP34	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_EStateFP34	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP34	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_EStateFP34	OB(O)O	C10043353
PADEL_EStateFP34	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP34	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP34	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP34	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_EStateFP34	C[As](=O)(C)O	C75605
PADEL_EStateFP34	Oc1c(cccc1)c1ccccc1	C90437
PADEL_EStateFP34	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP34	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP34	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_EStateFP34	c1ccccc1OCCO	C122996
PADEL_EStateFP34	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_EStateFP34	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_EStateFP34	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP34	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP34	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP34	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP34	ClCCP(=O)(O)O	C16672870
PADEL_EStateFP34	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP34	OCCOC	C109864
PADEL_EStateFP34	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP34	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_EStateFP34	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP34	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP34	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP34	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_EStateFP34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_EStateFP34	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP34	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_EStateFP34	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP34	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP34	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_EStateFP34	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP34	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP34	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_EStateFP34	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_EStateFP34	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP34	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP34	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP34	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP34	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP34	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP34	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP34	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP34	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_EStateFP34	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP34	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP34	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP34	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP34	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP34	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP34	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP34	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP34	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP34	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP34	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP34	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP34	OC(=O)c1ccccc1	C65850
PADEL_EStateFP34	OCc1ccccc1	C100516
PADEL_EStateFP34	OCC(CO)(CBr)CBr	C3296900
PADEL_EStateFP34	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_EStateFP34	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_EStateFP34	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_EStateFP34	Oc1c(cccc1)O	C120809
PADEL_EStateFP34	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP34	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP34	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP34	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP34	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP34	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP34	Clc1c(ccc(c1)Cl)O	C120832
PADEL_EStateFP34	OCCOCCO	C111466
PADEL_EStateFP34	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_EStateFP34	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP34	C(CO)O	C107211
PADEL_EStateFP34	CCC(CCCC)CO	C104767
PADEL_EStateFP34	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP34	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_EStateFP34	OCC(O)CO	C56815
PADEL_EStateFP34	OCC1CO1	C556525
PADEL_EStateFP34	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_EStateFP34	Oc1ccc(cc1)O	C123319
PADEL_EStateFP34	Oc1cccc2cccnc12	C148243
PADEL_EStateFP34	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP34	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP34	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP34	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP34	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP34	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_EStateFP34	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP34	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_EStateFP34	Oc1ccccc1	C108952
PADEL_EStateFP34	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP34	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_EStateFP34	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP34	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP34	CC(CO)O	C57556
PADEL_EStateFP34	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_EStateFP34	Oc1cc(ccc1)O	C108463
PADEL_EStateFP34	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP34	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP34	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP34	OC(=O)C=CC=CC	C110441
PADEL_EStateFP34	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_EStateFP34	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP34	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_EStateFP34	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP34	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_EStateFP34	OCCN(CCO)CCO	C102716
PADEL_EStateFP34	OCCOCCOCCO	C112276
PADEL_EStateFP34	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP34	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_EStateFP34	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_EStateFP34	OC(=O)CCC	C107926
PADEL_EStateFP34	CCCCOCCOCCO	C112345
PADEL_EStateFP34	Oc1ccccc1Cl	C95578
PADEL_EStateFP34	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP34	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP34	O=C(O)CCCCCC	C111148
PADEL_EStateFP34	OC(=O)CCCCC(=O)O	C124049
PADEL_EStateFP34	CCCCCC(=O)O	C142621
PADEL_EStateFP34	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP34	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP34	CCCCCCCC(=O)O	C124072
PADEL_EStateFP34	Oc1cc(C)c(Cl)cc1	C59507
PADEL_EStateFP34	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_EStateFP34	Oc1c(C)cccc1	C95487
PADEL_EStateFP34	CCC(=NO)C	C96297
PADEL_EStateFP34	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_EStateFP34	CCN(CCO)CC	C100378
PADEL_EStateFP34	Oc1c(C)cc(C)cc1	C105679
PADEL_EStateFP34	Oc1ccc(C)cc1	C106445
PADEL_EStateFP34	ClCCO	C107073
PADEL_EStateFP34	OCCNCCO	C111422
PADEL_EStateFP34	CCCCCCCCO	C111875
PADEL_EStateFP34	CCOCCOCCO	C111900
PADEL_EStateFP34	CCCCCCCCCCO	C112301
PADEL_EStateFP34	CCCCCCCCCCCCCO	C112709
PADEL_EStateFP34	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP34	OCCN	C141435
PADEL_EStateFP34	Oc1c(C)cc(C)cc1C	C527606
PADEL_EStateFP34	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_EStateFP34	Oc1c(C)c(C)ccc1C	C2416946
PADEL_EStateFP34	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_EStateFP34	c1(c(O)cccc1)C(CC)C	C89725
PADEL_EStateFP34	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_EStateFP34	Oc1ccc(C=CC)cc1OC	C97541
PADEL_EStateFP34	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP34	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP34	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP34	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP34	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP34	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_EStateFP34	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_EStateFP34	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP34	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_EStateFP34	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_EStateFP34	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_EStateFP34	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP34	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_EStateFP34	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP34	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP34	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP34	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP34	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP34	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP34	Oc1cc(C)c(C)cc1	C95658
PADEL_EStateFP34	Oc1c(cccc1C)C	C576261
PADEL_EStateFP34	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP34	CCOCCO	C110805
PADEL_EStateFP34	CCCCOCCO	C111762
PADEL_EStateFP34	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_EStateFP34	OCCOCCOCCOCC	C112505
PADEL_EStateFP34	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP34	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP34	O=C(O)c1ccc(N)cc1	C150130
PADEL_EStateFP34	Oc1c(ccc(N)c1)C	C2835952
PADEL_EStateFP34	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_EStateFP34	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_EStateFP34	O(O)C(c1ccccc1)(C)C	C80159
PADEL_EStateFP34	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_EStateFP34	OC(CCl)CCl	C96231
PADEL_EStateFP34	O(CCOC)CCO	C111773
PADEL_EStateFP34	Oc1c(ccc(C)c1)C	C95874
PADEL_EStateFP34	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP34	C(=O)(N)NO	C127071
PADEL_EStateFP34	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_EStateFP34	o1c(C)c(O)c(=O)cc1	C118718
PADEL_EStateFP34	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP34	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP34	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_EStateFP34	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_EStateFP34	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_EStateFP34	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_EStateFP34	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_EStateFP34	OCCC(C)CCC=C(C)C	C106229
PADEL_EStateFP34	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_EStateFP34	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_EStateFP34	OCCC(O)C	C107880
PADEL_EStateFP34	OC(CC(C)C)C	C108112
PADEL_EStateFP34	OCCOCCCCCC	C112254
PADEL_EStateFP34	OCCCCCCCCCCC	C112425
PADEL_EStateFP34	OCCCCCCCCCCCC	C112538
PADEL_EStateFP34	OCCCCCCCCCCCCCC	C112721
PADEL_EStateFP34	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_EStateFP34	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_EStateFP34	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_EStateFP34	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_EStateFP34	OCCCCCCCCCCCCCCC	C629765
PADEL_EStateFP34	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP34	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP34	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_EStateFP34	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP34	OC(OC(O)CC)CC	C25265718
PADEL_EStateFP34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_EStateFP34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP34	OC(OCCCOC)CC	C34590948
PADEL_EStateFP34	OCCCCCCCCCCCCCCCC	C36653824
PADEL_EStateFP34	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_EStateFP34	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_EStateFP34	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_EStateFP34	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_EStateFP34	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP34	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP34	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP34	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_EStateFP34	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP34	Oc1cc(C)ccc1C(C)C	C89838
PADEL_EStateFP34	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP34	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP34	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP34	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_EStateFP34	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_EStateFP34	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP34	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP34	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP34	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP34	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_EStateFP34	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_EStateFP34	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP34	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP34	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_EStateFP34	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_EStateFP34	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP34	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP34	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP34	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP34	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP34	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP34	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP34	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP34	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP34	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP34	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_EStateFP34	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP34	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP34	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP34	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP34	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP34	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP34	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP34	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP34	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP34	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP34	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP34	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP34	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP34	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP34	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP34	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP34	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP34	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP34	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP34	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP34	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP34	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP34	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP34	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_EStateFP34	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP34	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_EStateFP34	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP34	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP34	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP34	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP34	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP34	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP34	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP34	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP34	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP34	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP34	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP34	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP34	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP34	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP34	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP34	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP34	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP34	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_EStateFP34	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP34	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_EStateFP34	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP34	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP34	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP34	OC(C(CC)CCCC)C#C	C5877429
PADEL_EStateFP34	OCCCBr	C627189
PADEL_EStateFP34	C(=O)(C)O	C64197
PADEL_EStateFP34	C(CO)C(C)C	C123513
PADEL_EStateFP34	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP34	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP34	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP34	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP34	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP34	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP34	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP34	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP34	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP34	OCCC(OC)C	C2517433
PADEL_EStateFP34	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP34	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP34	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP34	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_EStateFP34	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP34	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_EStateFP34	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_EStateFP34	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP34	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_EStateFP34	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP34	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_EStateFP34	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_EStateFP34	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP34	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_EStateFP34	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_EStateFP34	CC(c1ccc(CO)cc1)C	C536607
PADEL_EStateFP34	CC(=O)C(=O)O	C127173
PADEL_EStateFP34	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP34	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_EStateFP34	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_EStateFP34	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_EStateFP34	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_EStateFP34	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP34	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP34	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP34	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP34	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP34	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP34	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP34	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_EStateFP34	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_EStateFP34	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_EStateFP34	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_EStateFP34	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_EStateFP34	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_EStateFP34	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP34	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP34	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP34	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP34	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_EStateFP34	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_EStateFP34	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP34	OCC=C(C)C	C556821
PADEL_EStateFP34	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP34	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP34	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP34	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_EStateFP34	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP34	OCc1c[nH]c2c1cccc2	C700061
PADEL_EStateFP34	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_EStateFP34	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP34	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_EStateFP34	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP34	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP34	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_EStateFP34	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_EStateFP34	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP34	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_EStateFP34	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP34	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP34	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_EStateFP34	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP34	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_EStateFP34	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP34	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP34	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP34	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP34	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_EStateFP34	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_EStateFP34	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_EStateFP34	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP34	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP34	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_EStateFP34	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP34	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP34	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP34	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_EStateFP34	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_EStateFP34	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_EStateFP34	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP34	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP34	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP34	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP34	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP34	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP34	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP34	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP34	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP34	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP34	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP34	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_EStateFP34	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP34	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP34	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_EStateFP34	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_EStateFP34	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP34	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP34	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_EStateFP34	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_EStateFP34	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_EStateFP34	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_EStateFP34	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP34	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP34	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP34	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_EStateFP34	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP34	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP34	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP34	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP34	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP34	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP34	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP34	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_EStateFP34	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_EStateFP34	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP35	CC(=O)N	C60355
PADEL_EStateFP35	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP35	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_EStateFP35	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP35	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP35	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_EStateFP35	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP35	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP35	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP35	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP35	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_EStateFP35	O=CCCl	C107200
PADEL_EStateFP35	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP35	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_EStateFP35	O=C1CCCCC1	C108941
PADEL_EStateFP35	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP35	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_EStateFP35	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_EStateFP35	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP35	CN(C)C(=O)C	C127195
PADEL_EStateFP35	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP35	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP35	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_EStateFP35	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP35	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP35	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP35	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP35	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_EStateFP35	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_EStateFP35	NC(=O)OC	C598550
PADEL_EStateFP35	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP35	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_EStateFP35	NC(=O)c1cccnc1	C98920
PADEL_EStateFP35	OC(=O)c1cccnc1	C59676
PADEL_EStateFP35	O=[N+](CC)[O-]	C79243
PADEL_EStateFP35	CN(C(=O)N)N=O	C684935
PADEL_EStateFP35	CN(N=O)C	C62759
PADEL_EStateFP35	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_EStateFP35	O=NN1CCCC1	C930552
PADEL_EStateFP35	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_EStateFP35	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP35	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP35	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP35	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP35	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_EStateFP35	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_EStateFP35	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP35	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP35	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP35	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP35	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP35	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_EStateFP35	O=P(OC)(OC)OC	C512561
PADEL_EStateFP35	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP35	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP35	O=CCc1ccccc1	C122781
PADEL_EStateFP35	O=C(O)/C=C\C(=O)O	C110167
PADEL_EStateFP35	OC(=O)/C=C/C(=O)O	C110178
PADEL_EStateFP35	CCCCCCCCCC=O	C112312
PADEL_EStateFP35	CCCCCCCCCCCC(=O)O	C143077
PADEL_EStateFP35	O=CCCCCCC	C111717
PADEL_EStateFP35	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_EStateFP35	CCCCCCCCC=O	C124196
PADEL_EStateFP35	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_EStateFP35	OC(=O)CCCC	C109524
PADEL_EStateFP35	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_EStateFP35	c1(O)ccccc1C(=O)N	C65452
PADEL_EStateFP35	CS(=O)C	C67685
PADEL_EStateFP35	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_EStateFP35	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_EStateFP35	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP35	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_EStateFP35	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_EStateFP35	O=Cc1ccccc1O	C90028
PADEL_EStateFP35	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP35	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP35	CCCC(=O)C	C107879
PADEL_EStateFP35	CCCCCC(=O)C	C110430
PADEL_EStateFP35	CCCCCCCCCC(=O)C	C112129
PADEL_EStateFP35	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP35	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP35	CCCCCC(=O)OCC	C123660
PADEL_EStateFP35	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_EStateFP35	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_EStateFP35	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP35	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP35	C=CC(=O)OCCO	C818611
PADEL_EStateFP35	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_EStateFP35	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_EStateFP35	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP35	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_EStateFP35	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_EStateFP35	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP35	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_EStateFP35	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_EStateFP35	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_EStateFP35	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_EStateFP35	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP35	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_EStateFP35	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_EStateFP35	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_EStateFP35	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP35	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_EStateFP35	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_EStateFP35	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_EStateFP35	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_EStateFP35	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP35	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP35	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP35	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP35	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_EStateFP35	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP35	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP35	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP35	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP35	C(=O)(O)C(C)O	C50215
PADEL_EStateFP35	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP35	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_EStateFP35	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_EStateFP35	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_EStateFP35	C(=O)(O)CCC(=O)O	C110156
PADEL_EStateFP35	C[Si](=O)C	C9016006
PADEL_EStateFP35	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP35	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_EStateFP35	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_EStateFP35	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP35	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_EStateFP35	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP35	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP35	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP35	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP35	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP35	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP35	OP(=O)(O)O	C7664382
PADEL_EStateFP35	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP35	[Na+].[O-]C(=O)CF	C62748
PADEL_EStateFP35	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_EStateFP35	O=C(N)N=NC(=O)N	C123773
PADEL_EStateFP35	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP35	O=C(OCCCC)C=C	C141322
PADEL_EStateFP35	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_EStateFP35	O=C/C=C/c1ccccc1	C14371109
PADEL_EStateFP35	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_EStateFP35	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_EStateFP35	C(C(=O)C)C(C)(C)O	C123422
PADEL_EStateFP35	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_EStateFP35	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_EStateFP35	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_EStateFP35	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP35	O=C(CC(C)C)CC(C)C	C108838
PADEL_EStateFP35	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_EStateFP35	OCNC(=O)NCO	C140954
PADEL_EStateFP35	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP35	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP35	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_EStateFP35	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP35	C(CC)(C=O)CCCC	C123057
PADEL_EStateFP35	CCC(=CCCC)C=O	C645625
PADEL_EStateFP35	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP35	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP35	O=CCCCC=O	C111308
PADEL_EStateFP35	C(=O)(O)CO	C79141
PADEL_EStateFP35	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP35	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_EStateFP35	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_EStateFP35	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP35	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_EStateFP35	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_EStateFP35	O=C(C)C=Cc1ccccc1	C122576
PADEL_EStateFP35	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_EStateFP35	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_EStateFP35	C(=O)(O)C(=O)O	C144627
PADEL_EStateFP35	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP35	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP35	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP35	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_EStateFP35	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP35	O=C(O)CS	C68111
PADEL_EStateFP35	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP35	O=P(OCC)(OCC)OCC	C78400
PADEL_EStateFP35	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP35	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP35	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP35	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_EStateFP35	O=C(O)c1ccccc1O	C69727
PADEL_EStateFP35	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP35	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP35	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_EStateFP35	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_EStateFP35	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP35	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_EStateFP35	O=C(O)c1ccc(O)cc1	C99967
PADEL_EStateFP35	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP35	O=C1OCC(C)O1	C108327
PADEL_EStateFP35	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP35	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP35	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP35	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_EStateFP35	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP35	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP35	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP35	O=Cc1ccc(OC)cc1	C123115
PADEL_EStateFP35	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP35	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP35	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_EStateFP35	O=C1NCCC1	C616455
PADEL_EStateFP35	O=COC(C)C	C625558
PADEL_EStateFP35	O=C(N)[O-].[NH4+]	C1111780
PADEL_EStateFP35	O=C(N(C)C)CCCCCCC	C1118929
PADEL_EStateFP35	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP35	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_EStateFP35	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP35	O=C(N(C)C)CC(=O)C	C2044646
PADEL_EStateFP35	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP35	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP35	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_EStateFP35	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_EStateFP35	O=C(CCl)[O-].[Na+]	C3926623
PADEL_EStateFP35	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP35	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP35	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP35	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP35	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP35	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP35	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP35	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_EStateFP35	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_EStateFP35	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_EStateFP35	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_EStateFP35	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP35	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP35	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_EStateFP35	O=C(c1ccc(O)cc1)C	C99934
PADEL_EStateFP35	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP35	O=C1CCCC1	C120923
PADEL_EStateFP35	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_EStateFP35	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP35	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP35	O=C(C=C(C)C)C	C141797
PADEL_EStateFP35	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_EStateFP35	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_EStateFP35	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP35	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP35	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP35	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_EStateFP35	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_EStateFP35	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP35	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP35	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP35	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_EStateFP35	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_EStateFP35	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_EStateFP35	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP35	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP35	O=C1NC2NC(=O)NC2N1	C496468
PADEL_EStateFP35	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP35	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_EStateFP35	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP35	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_EStateFP35	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP35	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP35	Clc1c(Cl)ssc1=O	C1192525
PADEL_EStateFP35	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP35	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP35	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP35	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP35	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP35	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP35	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP35	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP35	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP35	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP35	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP35	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP35	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_EStateFP35	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP35	O=S(=O)(N)O	C5329146
PADEL_EStateFP35	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP35	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP35	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP35	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_EStateFP35	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP35	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_EStateFP35	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP35	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP35	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP35	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_EStateFP35	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP35	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP35	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP35	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP35	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP35	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP35	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP35	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP35	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP35	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP35	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP35	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP35	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_EStateFP35	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_EStateFP35	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_EStateFP35	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP35	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_EStateFP35	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_EStateFP35	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_EStateFP35	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_EStateFP35	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_EStateFP35	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP35	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_EStateFP35	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP35	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP35	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_EStateFP35	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP35	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_EStateFP35	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP35	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP35	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_EStateFP35	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_EStateFP35	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP35	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_EStateFP35	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP35	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP35	O=C(CC)OCC	C105373
PADEL_EStateFP35	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_EStateFP35	O=C(c1ccccc1O)C	C118934
PADEL_EStateFP35	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP35	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP35	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP35	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP35	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP35	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP35	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_EStateFP35	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP35	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_EStateFP35	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_EStateFP35	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_EStateFP35	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_EStateFP35	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_EStateFP35	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_EStateFP35	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_EStateFP35	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP35	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP35	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_EStateFP35	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP35	O=C1CCC(O1)CC	C695067
PADEL_EStateFP35	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP35	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP35	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_EStateFP35	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP35	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP35	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_EStateFP35	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_EStateFP35	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP35	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_EStateFP35	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_EStateFP35	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_EStateFP35	O=C/C=C/CCC	C6728263
PADEL_EStateFP35	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP35	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_EStateFP35	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP35	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP35	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP35	O=CCC/C=C\CCCCC	C21662099
PADEL_EStateFP35	O=c1ccoc(CC)c1O	C4940118
PADEL_EStateFP35	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP35	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_EStateFP35	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_EStateFP35	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP35	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_EStateFP35	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP35	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP35	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_EStateFP35	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_EStateFP35	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_EStateFP35	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP35	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP35	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP35	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP35	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP35	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_EStateFP35	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_EStateFP35	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_EStateFP35	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP35	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_EStateFP35	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP35	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP35	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP35	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_EStateFP35	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP35	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_EStateFP35	O=C(CC)CCCCC	C106683
PADEL_EStateFP35	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP35	O=C(CF)O	C144490
PADEL_EStateFP35	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP35	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP35	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_EStateFP35	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP35	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP35	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_EStateFP35	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_EStateFP35	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP35	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP35	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_EStateFP35	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_EStateFP35	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_EStateFP35	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP35	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_EStateFP35	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_EStateFP35	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_EStateFP35	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_EStateFP35	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_EStateFP35	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_EStateFP35	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_EStateFP35	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP35	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP35	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP35	O=C(N)Nc1ccccc1	C64108
PADEL_EStateFP35	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP35	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP35	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP35	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_EStateFP35	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_EStateFP35	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP35	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_EStateFP35	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_EStateFP35	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP35	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_EStateFP35	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP35	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_EStateFP35	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP35	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_EStateFP35	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP35	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP35	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP35	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_EStateFP35	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP35	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_EStateFP35	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP35	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP35	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_EStateFP35	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP35	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_EStateFP35	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP35	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP35	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP35	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP35	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_EStateFP35	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_EStateFP35	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP35	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP35	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP35	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP35	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP35	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_EStateFP35	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_EStateFP35	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP35	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_EStateFP35	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_EStateFP35	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP35	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP35	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP35	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_EStateFP35	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP35	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP35	C=O	C50000
PADEL_EStateFP35	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_EStateFP35	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP35	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP35	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_EStateFP35	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP35	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP35	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP35	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP35	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP35	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_EStateFP35	O=C1CCC(CCC)CC1	C40649363
PADEL_EStateFP35	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_EStateFP35	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_EStateFP35	O=C(c1ccccc1)C(C)C	C611701
PADEL_EStateFP35	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP35	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_EStateFP35	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP35	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_EStateFP35	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_EStateFP35	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP35	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP35	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP35	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP35	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP35	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP35	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP35	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP35	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_EStateFP35	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP35	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_EStateFP35	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP35	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP35	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP35	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP35	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP35	C[As](=O)(C)O	C75605
PADEL_EStateFP35	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP35	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP35	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP35	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP35	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP35	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP35	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_EStateFP35	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP35	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_EStateFP35	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP35	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP35	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_EStateFP35	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP35	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP35	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP35	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP35	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP35	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP35	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_EStateFP35	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_EStateFP35	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP35	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP35	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP35	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP35	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP35	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP35	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP35	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_EStateFP35	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP35	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP35	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP35	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP35	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP35	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP35	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP35	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP35	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP35	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP35	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP35	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP35	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP35	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP35	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP35	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP35	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_EStateFP35	ClCCP(=O)(O)O	C16672870
PADEL_EStateFP35	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP35	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP35	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP35	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_EStateFP35	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_EStateFP35	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP35	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP35	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP35	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_EStateFP35	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP35	NP(=O)(OC)SC	C10265926
PADEL_EStateFP35	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP35	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_EStateFP35	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP35	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP35	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP35	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP35	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP35	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP35	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP35	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_EStateFP35	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP35	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP35	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP35	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_EStateFP35	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP35	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP35	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_EStateFP35	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_EStateFP35	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP35	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP35	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP35	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP35	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_EStateFP35	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP35	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_EStateFP35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_EStateFP35	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP35	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP35	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP35	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_EStateFP35	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP35	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP35	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP35	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP35	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP35	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP35	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP35	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP35	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP35	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP35	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP35	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP35	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP35	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP35	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP35	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP35	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP35	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP35	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP35	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP35	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP35	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP35	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP35	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_EStateFP35	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP35	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP35	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP35	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP35	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP35	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_EStateFP35	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP35	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP35	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP35	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP35	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP35	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP35	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP35	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP35	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP35	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP35	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_EStateFP35	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_EStateFP35	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP35	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_EStateFP35	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP35	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_EStateFP35	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP35	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP35	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_EStateFP35	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP35	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP35	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP35	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP35	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP35	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP35	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP35	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP35	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP35	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP35	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_EStateFP35	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP35	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP35	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP35	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP35	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP35	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP35	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP35	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP35	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP35	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP35	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP35	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP35	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP35	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP35	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP35	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP35	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP35	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP35	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP35	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP35	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_EStateFP35	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP35	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP35	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP35	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP35	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP35	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP35	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP35	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP35	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP35	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP35	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP35	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_EStateFP35	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP35	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP35	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_EStateFP35	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP35	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP35	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP35	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP35	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP35	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP35	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP35	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP35	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP35	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP35	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP35	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP35	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_EStateFP35	NC(=O)C=C	C79061
PADEL_EStateFP35	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_EStateFP35	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP35	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP35	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_EStateFP35	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP35	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_EStateFP35	OC(=O)c1ccccc1	C65850
PADEL_EStateFP35	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP35	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP35	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_EStateFP35	O=C1CCCO1	C96480
PADEL_EStateFP35	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_EStateFP35	O=C1CCCCCN1	C105602
PADEL_EStateFP35	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP35	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP35	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP35	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_EStateFP35	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP35	O=C(c1ccccc1)CCl	C532274
PADEL_EStateFP35	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP35	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP35	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_EStateFP35	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP35	O=c1oc2c(cccc2)cc1	C91645
PADEL_EStateFP35	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_EStateFP35	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP35	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP35	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP35	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP35	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP35	O=C(N(C)C)Cl	C79447
PADEL_EStateFP35	CN(C=O)C	C68122
PADEL_EStateFP35	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_EStateFP35	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_EStateFP35	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_EStateFP35	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_EStateFP35	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP35	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP35	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_EStateFP35	O=Cc1ccco1	C98011
PADEL_EStateFP35	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP35	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP35	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP35	O=C(c1ccncc1)NN	C54853
PADEL_EStateFP35	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_EStateFP35	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP35	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_EStateFP35	CS(=O)(=O)OC	C66273
PADEL_EStateFP35	O=C1N(CCC1)C	C872504
PADEL_EStateFP35	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_EStateFP35	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_EStateFP35	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_EStateFP35	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_EStateFP35	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_EStateFP35	O=N[O-].[Na+]	C7632000
PADEL_EStateFP35	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_EStateFP35	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_EStateFP35	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_EStateFP35	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_EStateFP35	O=[N+](c1ccccc1)[O-]	C98953
PADEL_EStateFP35	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_EStateFP35	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_EStateFP35	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_EStateFP35	O=NN(CCCC)CCCC	C924163
PADEL_EStateFP35	CCN(CC)N=O	C55185
PADEL_EStateFP35	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_EStateFP35	O=NN(CCC)CCC	C621647
PADEL_EStateFP35	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_EStateFP35	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_EStateFP35	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP35	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP35	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_EStateFP35	O=S1(=O)CCCO1	C1120714
PADEL_EStateFP35	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP35	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_EStateFP35	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_EStateFP35	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP35	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_EStateFP35	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP35	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP35	OC(=O)C=CC=CC	C110441
PADEL_EStateFP35	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP35	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_EStateFP35	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP35	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP35	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_EStateFP35	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP35	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_EStateFP35	C(=O)(N)N	C57136
PADEL_EStateFP35	NC(=O)OCC	C51796
PADEL_EStateFP35	O=C1N(C=C)CCC1	C88120
PADEL_EStateFP35	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP35	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_EStateFP35	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_EStateFP35	OC(=O)CCC	C107926
PADEL_EStateFP35	CCCCCCCCCC(=O)O	C334485
PADEL_EStateFP35	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP35	O=C(O)CCCCCC	C111148
PADEL_EStateFP35	OC(=O)CCCCC(=O)O	C124049
PADEL_EStateFP35	CCCCCC(=O)O	C142621
PADEL_EStateFP35	CCCCCCCCC(=O)O	C112050
PADEL_EStateFP35	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_EStateFP35	CCCCCCCC=O	C124130
PADEL_EStateFP35	CCCCCCCC(=O)O	C124072
PADEL_EStateFP35	CCCCC=O	C110623
PADEL_EStateFP35	CC1(C)NC(=O)NC1=O	C77714
PADEL_EStateFP35	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP35	c1ccccc1C(=O)C	C98862
PADEL_EStateFP35	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_EStateFP35	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_EStateFP35	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP35	CC(=O)OCCOCC	C111159
PADEL_EStateFP35	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_EStateFP35	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP35	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_EStateFP35	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP35	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_EStateFP35	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_EStateFP35	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_EStateFP35	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP35	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_EStateFP35	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP35	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_EStateFP35	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP35	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP35	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_EStateFP35	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_EStateFP35	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_EStateFP35	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP35	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_EStateFP35	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP35	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP35	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP35	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_EStateFP35	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_EStateFP35	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP35	C(=O)(O)C(CCC)CCC	C99661
PADEL_EStateFP35	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_EStateFP35	O=N(=O)c1ccc(C)cc1	C99990
PADEL_EStateFP35	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP35	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP35	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_EStateFP35	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP35	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP35	O=S(=O)(OCC)OCC	C64675
PADEL_EStateFP35	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_EStateFP35	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP35	O=S(=O)(OC)OC	C77781
PADEL_EStateFP35	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_EStateFP35	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_EStateFP35	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP35	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_EStateFP35	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP35	O=C=NCCCCCCN=C=O	C822060
PADEL_EStateFP35	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_EStateFP35	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP35	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP35	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP35	O=C(O)c1ccc(N)cc1	C150130
PADEL_EStateFP35	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_EStateFP35	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_EStateFP35	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP35	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP35	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_EStateFP35	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP35	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP35	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_EStateFP35	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP35	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_EStateFP35	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP35	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP35	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP35	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_EStateFP35	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_EStateFP35	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_EStateFP35	O=C(O)C(CCCC)CC	C149575
PADEL_EStateFP35	C(=O)(N)NO	C127071
PADEL_EStateFP35	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP35	o1c(C)c(O)c(=O)cc1	C118718
PADEL_EStateFP35	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP35	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_EStateFP35	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP35	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_EStateFP35	O=c1ccsn1CCCCCCCC	C26530201
PADEL_EStateFP35	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP35	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_EStateFP35	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP35	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_EStateFP35	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_EStateFP35	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP35	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP35	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP35	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_EStateFP35	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP35	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_EStateFP35	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP35	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_EStateFP35	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP35	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP35	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP35	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP35	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP35	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_EStateFP35	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_EStateFP35	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_EStateFP35	O=C(C)OCCCCC	C628637
PADEL_EStateFP35	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_EStateFP35	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP35	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP35	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP35	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP35	O=C(O)C(O)CC(=O)O	C6915157
PADEL_EStateFP35	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_EStateFP35	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP35	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP35	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP35	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP35	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP35	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP35	O=C(N)C(=C)C	C79390
PADEL_EStateFP35	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP35	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP35	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP35	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP35	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP35	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP35	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP35	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP35	O=Cc1ccccc1C=O	C643798
PADEL_EStateFP35	O=c1[nH]sc2c1cccc2	C2634335
PADEL_EStateFP35	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP35	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP35	O=c1n(C)sc(Cl)c1	C26172554
PADEL_EStateFP35	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP35	O=C(O)CCCCCCCCC=C	C112389
PADEL_EStateFP35	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_EStateFP35	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP35	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP35	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP35	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP35	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP35	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_EStateFP35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_EStateFP35	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_EStateFP35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_EStateFP35	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_EStateFP35	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP35	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP35	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_EStateFP35	O=C(CCC)OCC	C105544
PADEL_EStateFP35	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP35	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP35	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP35	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP35	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP35	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP35	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP35	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP35	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_EStateFP35	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP35	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP35	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_EStateFP35	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_EStateFP35	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_EStateFP35	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP35	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP35	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP35	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP35	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_EStateFP35	O=C(C)NC	C79163
PADEL_EStateFP35	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP35	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_EStateFP35	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP35	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP35	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_EStateFP35	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP35	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP35	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP35	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_EStateFP35	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP35	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP35	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP35	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP35	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP35	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP35	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP35	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP35	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_EStateFP35	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP35	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP35	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP35	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP35	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP35	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP35	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_EStateFP35	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP35	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP35	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_EStateFP35	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP35	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP35	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP35	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_EStateFP35	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_EStateFP35	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP35	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP35	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP35	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP35	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP35	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP35	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP35	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP35	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP35	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP35	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP35	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_EStateFP35	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP35	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP35	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP35	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP35	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP35	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP35	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP35	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP35	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP35	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP35	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP35	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP35	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP35	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP35	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_EStateFP35	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP35	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP35	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP35	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP35	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP35	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP35	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP35	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP35	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP35	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP35	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP35	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP35	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP35	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP35	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP35	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP35	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP35	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP35	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP35	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP35	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP35	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP35	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP35	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP35	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP35	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP35	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP35	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP35	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP35	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP35	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP35	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP35	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP35	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP35	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP35	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP35	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP35	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP35	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP35	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_EStateFP35	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP35	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP35	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP35	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP35	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP35	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP35	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP35	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP35	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP35	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP35	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_EStateFP35	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP35	C(=O)N	C75127
PADEL_EStateFP35	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP35	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP35	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_EStateFP35	[Na+].[O-][Cl]=O	C7758192
PADEL_EStateFP35	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP35	C(=O)(C)O	C64197
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_EStateFP35	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP35	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP35	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP35	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP35	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_EStateFP35	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP35	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_EStateFP35	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP35	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP35	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP35	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP35	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_EStateFP35	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP35	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP35	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP35	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP35	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP35	O=[Si]=O	C7631869
PADEL_EStateFP35	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP35	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP35	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP35	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_EStateFP35	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP35	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP35	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP35	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP35	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP35	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP35	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP35	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP35	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP35	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP35	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP35	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP35	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_EStateFP35	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP35	O=CCC(C)CCC=C(C)C	C106230
PADEL_EStateFP35	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP35	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP35	O=COCC	C109944
PADEL_EStateFP35	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP35	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP35	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_EStateFP35	O=CCCSC	C3268493
PADEL_EStateFP35	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP35	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP35	CC(=O)OCC	C141786
PADEL_EStateFP35	CC(=O)OCCCC	C123864
PADEL_EStateFP35	CC(=O)CCC(C)C	C110123
PADEL_EStateFP35	CC(=O)CC(C)C	C108101
PADEL_EStateFP35	CC(C)C=O	C78842
PADEL_EStateFP35	CCCCCC=O	C66251
PADEL_EStateFP35	CCCC=O	C123728
PADEL_EStateFP35	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP35	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_EStateFP35	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_EStateFP35	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_EStateFP35	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_EStateFP35	CC1CC(=O)O1	C3068880
PADEL_EStateFP35	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP35	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_EStateFP35	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_EStateFP35	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_EStateFP35	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP35	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP35	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_EStateFP35	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_EStateFP35	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_EStateFP35	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_EStateFP35	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_EStateFP35	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_EStateFP35	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_EStateFP35	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP35	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_EStateFP35	O=C(CCl)CCl	C534076
PADEL_EStateFP35	CC(=O)C(=O)O	C127173
PADEL_EStateFP35	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_EStateFP35	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_EStateFP35	CN(C)c1ccc(C=O)cc1	C100107
PADEL_EStateFP35	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_EStateFP35	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_EStateFP35	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP35	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_EStateFP35	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP35	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP35	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP35	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP35	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP35	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_EStateFP35	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_EStateFP35	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP35	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP35	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP35	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_EStateFP35	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_EStateFP35	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_EStateFP35	O=CC=CC=CCCCCC	C25152845
PADEL_EStateFP35	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_EStateFP35	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_EStateFP35	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_EStateFP35	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP35	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP35	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_EStateFP35	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_EStateFP35	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_EStateFP35	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP35	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP35	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_EStateFP35	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP35	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_EStateFP35	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP35	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_EStateFP35	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP35	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_EStateFP35	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_EStateFP35	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_EStateFP35	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP35	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP35	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_EStateFP35	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_EStateFP35	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP35	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP35	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP35	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP35	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP35	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP35	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP35	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP35	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_EStateFP35	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_EStateFP35	O=c1cc(C)o[nH]1	C10004441
PADEL_EStateFP35	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_EStateFP35	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP35	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP35	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP35	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP35	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP35	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP35	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_EStateFP35	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP35	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP35	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_EStateFP35	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP35	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_EStateFP35	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP35	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_EStateFP35	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP35	O=CCCCCCCCCC=C	C112458
PADEL_EStateFP35	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP35	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP35	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP35	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP35	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP35	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_EStateFP35	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP35	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP35	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_EStateFP35	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP35	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_EStateFP35	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP35	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP35	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP35	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP35	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP35	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP35	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_EStateFP35	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_EStateFP35	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP35	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_EStateFP35	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_EStateFP35	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_EStateFP35	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP35	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP35	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP35	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP35	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP35	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP35	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP35	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP35	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP35	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_EStateFP35	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP35	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP35	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP35	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP35	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP35	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP35	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP35	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_EStateFP35	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_EStateFP35	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP35	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP35	O=[As]c1ccccc1	C637036
PADEL_EStateFP35	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP35	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP35	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP35	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP35	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_EStateFP35	O=CN1CCCCC1	C2591868
PADEL_EStateFP35	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP35	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_EStateFP35	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_EStateFP35	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP35	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP35	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_EStateFP35	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP35	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_EStateFP35	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP35	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP35	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_EStateFP35	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_EStateFP35	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_EStateFP35	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_EStateFP35	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP35	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP35	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP35	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP35	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP35	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_EStateFP35	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP35	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP35	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP35	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP35	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP35	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP35	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP35	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_EStateFP35	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_EStateFP35	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP35	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_EStateFP35	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP35	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_EStateFP35	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_EStateFP35	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_EStateFP35	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP35	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_EStateFP35	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP35	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP35	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP35	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_EStateFP35	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP35	O=C/C=C/CCCCCCC	C3913813
PADEL_EStateFP35	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_EStateFP35	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP35	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP35	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_EStateFP35	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_EStateFP35	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP35	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP35	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP35	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP35	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP35	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_EStateFP35	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP35	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP35	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP35	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP35	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_EStateFP35	CCCCCCCCCC(C)C=O	C110418
PADEL_EStateFP35	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP35	CCC(=O)C(=O)CC	C4437518
PADEL_EStateFP35	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP36	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP36	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_EStateFP36	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP36	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP36	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP36	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP36	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP36	ClCOC	C107302
PADEL_EStateFP36	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP36	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP36	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP36	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP36	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP36	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP36	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_EStateFP36	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP36	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP36	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP36	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP36	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP36	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_EStateFP36	COc1ccc(cc1)O	C150765
PADEL_EStateFP36	NC(=O)OC	C598550
PADEL_EStateFP36	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP36	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_EStateFP36	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP36	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP36	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP36	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP36	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP36	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP36	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_EStateFP36	O=P(OC)(OC)OC	C512561
PADEL_EStateFP36	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP36	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP36	OCCOCCOCCOCCCC	C143226
PADEL_EStateFP36	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_EStateFP36	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP36	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP36	c1ccccc1Oc1ccccc1	C101848
PADEL_EStateFP36	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP36	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP36	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP36	CCCCCC(=O)OCC	C123660
PADEL_EStateFP36	COc1ccc(OC)cc1	C150787
PADEL_EStateFP36	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP36	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP36	C=CC(=O)OCCO	C818611
PADEL_EStateFP36	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP36	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_EStateFP36	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP36	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_EStateFP36	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP36	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_EStateFP36	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP36	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP36	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP36	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP36	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP36	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP36	c1cccc(OC)c1O	C90051
PADEL_EStateFP36	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_EStateFP36	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP36	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_EStateFP36	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_EStateFP36	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP36	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_EStateFP36	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP36	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP36	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP36	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP36	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP36	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP36	CC(O)COC	C107982
PADEL_EStateFP36	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP36	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_EStateFP36	O=C(OCCCC)C=C	C141322
PADEL_EStateFP36	C(OCCCC)C1CO1	C2426086
PADEL_EStateFP36	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP36	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP36	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP36	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP36	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP36	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP36	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP36	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP36	C1COCCN1	C110918
PADEL_EStateFP36	O(c1ccc(N)cc1)CC	C156434
PADEL_EStateFP36	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP36	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP36	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP36	O=P(OCC)(OCC)OCC	C78400
PADEL_EStateFP36	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP36	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP36	ClCCOP(OCCCl)OCCCl	C140089
PADEL_EStateFP36	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP36	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_EStateFP36	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP36	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP36	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP36	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP36	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP36	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_EStateFP36	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_EStateFP36	O=C1OCC(C)O1	C108327
PADEL_EStateFP36	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP36	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP36	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP36	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP36	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP36	OCCOCCOCCOC	C112356
PADEL_EStateFP36	OCCOCCOCCOCCO	C112607
PADEL_EStateFP36	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP36	O=Cc1ccc(OC)cc1	C123115
PADEL_EStateFP36	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP36	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP36	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP36	O=COC(C)C	C625558
PADEL_EStateFP36	OC(C)COc1ccccc1	C770354
PADEL_EStateFP36	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_EStateFP36	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP36	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP36	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP36	OCCOCCOCCOCCOCCCC	C1559348
PADEL_EStateFP36	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_EStateFP36	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP36	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP36	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP36	OCCOCCC	C2807309
PADEL_EStateFP36	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP36	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP36	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP36	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_EStateFP36	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP36	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_EStateFP36	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP36	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_EStateFP36	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP36	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_EStateFP36	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP36	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_EStateFP36	OCC1OCCC1	C97994
PADEL_EStateFP36	CN1CCOCC1	C109024
PADEL_EStateFP36	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP36	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP36	OC(C)COCCC	C1569013
PADEL_EStateFP36	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_EStateFP36	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_EStateFP36	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP36	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP36	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP36	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP36	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP36	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP36	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_EStateFP36	OC(OCCCC)CC	C29387868
PADEL_EStateFP36	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP36	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP36	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP36	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP36	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP36	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP36	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP36	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP36	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP36	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP36	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP36	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP36	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP36	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP36	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP36	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP36	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP36	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP36	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP36	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP36	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP36	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP36	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP36	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP36	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP36	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP36	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP36	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP36	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP36	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP36	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP36	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP36	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP36	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP36	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP36	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP36	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_EStateFP36	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_EStateFP36	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP36	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_EStateFP36	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_EStateFP36	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP36	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_EStateFP36	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP36	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP36	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP36	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP36	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP36	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_EStateFP36	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_EStateFP36	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_EStateFP36	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP36	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP36	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP36	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP36	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP36	O=C(CC)OCC	C105373
PADEL_EStateFP36	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP36	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP36	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP36	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP36	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP36	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP36	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_EStateFP36	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_EStateFP36	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_EStateFP36	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP36	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP36	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_EStateFP36	CC(O)COCC	C1569024
PADEL_EStateFP36	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP36	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP36	O=C1CCC(O1)CC	C695067
PADEL_EStateFP36	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP36	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP36	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP36	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP36	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_EStateFP36	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_EStateFP36	O1C=CCCC1	C110872
PADEL_EStateFP36	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP36	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP36	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP36	NCCCN1CCOCC1	C123002
PADEL_EStateFP36	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP36	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP36	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP36	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP36	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP36	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP36	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP36	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP36	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP36	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP36	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP36	OP(OCC)OCC	C762049
PADEL_EStateFP36	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP36	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_EStateFP36	OCCOCC(CC)CCCC	C1559359
PADEL_EStateFP36	CCOC(OCC)OCC	C122510
PADEL_EStateFP36	CCO[Si](OCC)(OCC)CC	C78079
PADEL_EStateFP36	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP36	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP36	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP36	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP36	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP36	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP36	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP36	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP36	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP36	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_EStateFP36	Oc1c(OCC)cccc1	C94713
PADEL_EStateFP36	COc1ccc(CCC)cc1	C104450
PADEL_EStateFP36	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP36	CO[Si](C)(C)OC	C1112396
PADEL_EStateFP36	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_EStateFP36	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_EStateFP36	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_EStateFP36	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP36	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP36	CCO[Si](OCC)(C)OCC	C2031676
PADEL_EStateFP36	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_EStateFP36	CO[Si](OC)(CCC)OC	C1067250
PADEL_EStateFP36	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_EStateFP36	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP36	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP36	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP36	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP36	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP36	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP36	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP36	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP36	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP36	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP36	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP36	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP36	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_EStateFP36	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_EStateFP36	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP36	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP36	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP36	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP36	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP36	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_EStateFP36	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP36	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP36	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP36	OCCOCC(C)OCCO	C9003116
PADEL_EStateFP36	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP36	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP36	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_EStateFP36	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP36	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP36	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP36	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP36	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP36	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_EStateFP36	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP36	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP36	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_EStateFP36	Nc1ccc(cc1)OCCCC	C4344552
PADEL_EStateFP36	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_EStateFP36	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP36	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_EStateFP36	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP36	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP36	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP36	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP36	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP36	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP36	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP36	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP36	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP36	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP36	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP36	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP36	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP36	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP36	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP36	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP36	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP36	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP36	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_EStateFP36	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP36	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP36	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_EStateFP36	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP36	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP36	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP36	c1ccccc1OCCO	C122996
PADEL_EStateFP36	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP36	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP36	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP36	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP36	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP36	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_EStateFP36	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP36	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP36	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP36	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP36	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP36	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP36	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP36	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP36	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP36	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP36	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP36	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP36	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP36	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP36	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP36	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_EStateFP36	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP36	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP36	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP36	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP36	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP36	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP36	NP(=O)(OC)SC	C10265926
PADEL_EStateFP36	OCCOC	C109864
PADEL_EStateFP36	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP36	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP36	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP36	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP36	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP36	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP36	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP36	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP36	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP36	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP36	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP36	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP36	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_EStateFP36	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP36	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP36	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP36	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP36	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP36	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_EStateFP36	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP36	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP36	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP36	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP36	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP36	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP36	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP36	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_EStateFP36	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP36	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP36	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP36	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP36	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP36	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP36	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP36	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_EStateFP36	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP36	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP36	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP36	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP36	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP36	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_EStateFP36	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP36	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP36	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP36	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP36	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP36	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP36	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP36	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP36	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP36	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP36	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP36	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP36	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_EStateFP36	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP36	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP36	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_EStateFP36	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP36	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP36	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP36	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP36	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP36	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP36	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP36	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP36	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP36	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP36	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP36	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP36	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_EStateFP36	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP36	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP36	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP36	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP36	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP36	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP36	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP36	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP36	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP36	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP36	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP36	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP36	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP36	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP36	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP36	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP36	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP36	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP36	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP36	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP36	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP36	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP36	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP36	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_EStateFP36	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP36	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP36	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP36	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP36	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP36	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP36	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP36	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP36	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP36	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP36	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP36	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP36	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP36	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP36	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_EStateFP36	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP36	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP36	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP36	ClCCOCCCl	C111444
PADEL_EStateFP36	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP36	O=C1CCCO1	C96480
PADEL_EStateFP36	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP36	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP36	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP36	Nc1cc(ccc1OC)C	C120718
PADEL_EStateFP36	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP36	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP36	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP36	OCCOCCO	C111466
PADEL_EStateFP36	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP36	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_EStateFP36	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP36	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP36	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP36	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP36	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP36	O1C2C1CCC(C2)C1CO1	C106876
PADEL_EStateFP36	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP36	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP36	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP36	OCC1CO1	C556525
PADEL_EStateFP36	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP36	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP36	CS(=O)(=O)OC	C66273
PADEL_EStateFP36	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_EStateFP36	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_EStateFP36	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_EStateFP36	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_EStateFP36	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP36	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP36	O=S1(=O)CCCO1	C1120714
PADEL_EStateFP36	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP36	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP36	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP36	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_EStateFP36	C1C(c2ccccc2)O1	C96093
PADEL_EStateFP36	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_EStateFP36	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP36	OCCOCCOCCO	C112276
PADEL_EStateFP36	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_EStateFP36	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP36	NC(=O)OCC	C51796
PADEL_EStateFP36	CCCCOCCOCCO	C112345
PADEL_EStateFP36	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP36	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP36	CC(=O)OCCOCC	C111159
PADEL_EStateFP36	CCOCCOCCO	C111900
PADEL_EStateFP36	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_EStateFP36	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP36	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP36	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_EStateFP36	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP36	Oc1ccc(C=CC)cc1OC	C97541
PADEL_EStateFP36	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP36	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP36	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP36	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP36	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_EStateFP36	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_EStateFP36	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP36	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP36	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP36	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP36	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP36	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP36	Nc1c(OC)cccc1	C90040
PADEL_EStateFP36	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_EStateFP36	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP36	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP36	O=S(=O)(OCC)OCC	C64675
PADEL_EStateFP36	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_EStateFP36	O=S(=O)(OC)OC	C77781
PADEL_EStateFP36	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP36	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP36	CCOCCO	C110805
PADEL_EStateFP36	CCCCOCCO	C111762
PADEL_EStateFP36	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP36	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP36	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP36	OCCOCCOCCOCC	C112505
PADEL_EStateFP36	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP36	O(CCOC)CCOC	C111966
PADEL_EStateFP36	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP36	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP36	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP36	O(O)C(c1ccccc1)(C)C	C80159
PADEL_EStateFP36	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP36	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_EStateFP36	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_EStateFP36	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_EStateFP36	O(CCOC)CCO	C111773
PADEL_EStateFP36	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP36	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_EStateFP36	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP36	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_EStateFP36	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP36	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP36	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP36	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP36	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP36	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP36	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP36	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_EStateFP36	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP36	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP36	C(OCCOC)COCCOC	C112492
PADEL_EStateFP36	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_EStateFP36	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP36	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_EStateFP36	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP36	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP36	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP36	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP36	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP36	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP36	OCCOCCCCCC	C112254
PADEL_EStateFP36	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP36	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_EStateFP36	O=C(C)OCCCCC	C628637
PADEL_EStateFP36	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP36	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP36	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP36	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP36	OC(OC(O)CC)CC	C25265718
PADEL_EStateFP36	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP36	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP36	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP36	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP36	OC(OCCCOC)CC	C34590948
PADEL_EStateFP36	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP36	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP36	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP36	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP36	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_EStateFP36	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP36	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP36	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_EStateFP36	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP36	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP36	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_EStateFP36	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP36	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP36	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP36	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP36	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP36	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_EStateFP36	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP36	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP36	O=C(CCC)OCC	C105544
PADEL_EStateFP36	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP36	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP36	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP36	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP36	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_EStateFP36	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP36	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP36	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP36	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_EStateFP36	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_EStateFP36	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP36	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP36	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP36	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP36	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP36	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_EStateFP36	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP36	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP36	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP36	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP36	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP36	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP36	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP36	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP36	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP36	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP36	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP36	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP36	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP36	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP36	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP36	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP36	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP36	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP36	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP36	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP36	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_EStateFP36	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP36	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP36	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP36	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP36	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP36	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP36	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP36	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP36	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP36	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP36	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP36	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP36	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP36	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP36	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP36	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP36	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP36	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_EStateFP36	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP36	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP36	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_EStateFP36	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP36	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP36	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP36	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP36	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP36	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP36	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP36	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP36	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP36	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP36	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP36	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP36	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP36	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP36	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP36	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP36	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP36	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP36	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP36	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP36	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP36	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP36	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP36	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP36	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP36	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_EStateFP36	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP36	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP36	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP36	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP36	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP36	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP36	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP36	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP36	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP36	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP36	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP36	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP36	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP36	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP36	NCCOCCOCCN	C929599
PADEL_EStateFP36	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP36	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP36	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP36	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP36	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP36	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP36	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP36	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP36	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP36	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP36	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP36	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP36	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP36	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP36	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP36	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP36	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP36	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP36	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP36	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP36	OCCC(OC)C	C2517433
PADEL_EStateFP36	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP36	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP36	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP36	O=COCC	C109944
PADEL_EStateFP36	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP36	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP36	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_EStateFP36	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP36	CC(=O)OCC	C141786
PADEL_EStateFP36	CC(=O)OCCCC	C123864
PADEL_EStateFP36	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP36	CCC1CO1	C106887
PADEL_EStateFP36	CC1CC(=O)O1	C3068880
PADEL_EStateFP36	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP36	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_EStateFP36	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP36	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP36	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP36	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP36	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP36	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_EStateFP36	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_EStateFP36	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_EStateFP36	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_EStateFP36	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP36	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP36	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP36	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP36	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP36	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP36	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP36	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP36	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_EStateFP36	Nc1ccc(OC)cc1	C104949
PADEL_EStateFP36	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP36	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_EStateFP36	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP36	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP36	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP36	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP36	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_EStateFP36	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP36	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP36	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP36	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP36	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP36	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP36	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP36	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP36	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP36	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP36	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP36	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP36	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP36	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP36	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_EStateFP36	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP36	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_EStateFP36	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP36	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_EStateFP36	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP36	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP36	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP36	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP36	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP36	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP36	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP36	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP36	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP36	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP36	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP36	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP36	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP36	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP36	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP36	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP36	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP36	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP36	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP36	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP36	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP36	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP36	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP36	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP36	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP36	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP36	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP36	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP36	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP36	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP36	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP36	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP36	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_EStateFP36	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP36	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_EStateFP36	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP36	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP36	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP36	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP36	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP36	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP36	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP36	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP36	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP36	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_EStateFP36	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP36	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP36	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP36	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP36	NCCCOCCCCCCCC	C15930662
PADEL_EStateFP36	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP36	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_EStateFP36	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP36	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP36	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP36	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_EStateFP36	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP36	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP36	COC(OC)C(C)c1ccccc1	C90879
PADEL_EStateFP36	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP36	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP36	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP36	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP36	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP36	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP36	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP36	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP36	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP36	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP36	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP36	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP36	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP37	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_EStateFP37	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_EStateFP37	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_EStateFP37	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_EStateFP37	CC(=O)OCc1ccccc1	C140114
PADEL_EStateFP37	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP37	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_EStateFP37	ClCOC	C107302
PADEL_EStateFP37	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP37	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP37	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP37	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP37	C=CCc1ccc(cc1)OC	C140670
PADEL_EStateFP37	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_EStateFP37	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_EStateFP37	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP37	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_EStateFP37	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_EStateFP37	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_EStateFP37	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_EStateFP37	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_EStateFP37	COc1ccc(cc1)O	C150765
PADEL_EStateFP37	NC(=O)OC	C598550
PADEL_EStateFP37	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_EStateFP37	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_EStateFP37	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_EStateFP37	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP37	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_EStateFP37	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_EStateFP37	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_EStateFP37	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP37	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_EStateFP37	O=P(OC)(OC)OC	C512561
PADEL_EStateFP37	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP37	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_EStateFP37	OCCOCCOCCOCCCC	C143226
PADEL_EStateFP37	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_EStateFP37	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_EStateFP37	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_EStateFP37	c1ccccc1Oc1ccccc1	C101848
PADEL_EStateFP37	CCOC(=O)CC(=O)OCC	C105533
PADEL_EStateFP37	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_EStateFP37	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_EStateFP37	CCCCCC(=O)OCC	C123660
PADEL_EStateFP37	COc1ccc(OC)cc1	C150787
PADEL_EStateFP37	O=C(OC(C)(C)C)C	C540885
PADEL_EStateFP37	CCCCCCC1OC(=O)CC1	C706149
PADEL_EStateFP37	C=CC(=O)OCCO	C818611
PADEL_EStateFP37	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP37	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_EStateFP37	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP37	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_EStateFP37	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_EStateFP37	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_EStateFP37	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_EStateFP37	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_EStateFP37	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_EStateFP37	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_EStateFP37	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_EStateFP37	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_EStateFP37	c1cccc(OC)c1O	C90051
PADEL_EStateFP37	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_EStateFP37	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP37	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_EStateFP37	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_EStateFP37	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP37	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_EStateFP37	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP37	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP37	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP37	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP37	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP37	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_EStateFP37	CC(O)COC	C107982
PADEL_EStateFP37	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_EStateFP37	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_EStateFP37	O=C(OCCCC)C=C	C141322
PADEL_EStateFP37	C(OCCCC)C1CO1	C2426086
PADEL_EStateFP37	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_EStateFP37	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_EStateFP37	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP37	O=C(OCC)c1c(N)cccc1	C87252
PADEL_EStateFP37	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_EStateFP37	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP37	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_EStateFP37	O(C(C)C)C(=O)C	C108214
PADEL_EStateFP37	C1COCCN1	C110918
PADEL_EStateFP37	O(c1ccc(N)cc1)CC	C156434
PADEL_EStateFP37	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_EStateFP37	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP37	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP37	O=P(OCC)(OCC)OCC	C78400
PADEL_EStateFP37	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_EStateFP37	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_EStateFP37	ClCCOP(OCCCl)OCCCl	C140089
PADEL_EStateFP37	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP37	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_EStateFP37	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_EStateFP37	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_EStateFP37	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_EStateFP37	O=C(C)OCC(CC)CCCC	C103093
PADEL_EStateFP37	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP37	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_EStateFP37	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_EStateFP37	O=C1OCC(C)O1	C108327
PADEL_EStateFP37	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_EStateFP37	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_EStateFP37	O=C(OC)CCCCCCCCC	C110429
PADEL_EStateFP37	O=C(C)OCCOC(=O)C	C111557
PADEL_EStateFP37	O=C(C)OCCOCCCC	C112072
PADEL_EStateFP37	OCCOCCOCCOC	C112356
PADEL_EStateFP37	OCCOCCOCCOCCO	C112607
PADEL_EStateFP37	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_EStateFP37	O=Cc1ccc(OC)cc1	C123115
PADEL_EStateFP37	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP37	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_EStateFP37	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP37	O=COC(C)C	C625558
PADEL_EStateFP37	OC(C)COc1ccccc1	C770354
PADEL_EStateFP37	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_EStateFP37	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP37	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_EStateFP37	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_EStateFP37	OCCOCCOCCOCCOCCCC	C1559348
PADEL_EStateFP37	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_EStateFP37	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP37	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_EStateFP37	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP37	OCCOCCC	C2807309
PADEL_EStateFP37	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_EStateFP37	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP37	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_EStateFP37	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_EStateFP37	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP37	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_EStateFP37	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_EStateFP37	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_EStateFP37	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP37	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_EStateFP37	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_EStateFP37	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_EStateFP37	OCC1OCCC1	C97994
PADEL_EStateFP37	CN1CCOCC1	C109024
PADEL_EStateFP37	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_EStateFP37	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP37	OC(C)COCCC	C1569013
PADEL_EStateFP37	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_EStateFP37	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_EStateFP37	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_EStateFP37	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_EStateFP37	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_EStateFP37	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_EStateFP37	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP37	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_EStateFP37	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_EStateFP37	OC(OCCCC)CC	C29387868
PADEL_EStateFP37	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_EStateFP37	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP37	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP37	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_EStateFP37	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP37	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP37	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP37	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP37	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_EStateFP37	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_EStateFP37	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP37	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP37	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP37	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP37	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP37	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_EStateFP37	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP37	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_EStateFP37	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP37	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_EStateFP37	O=C1OC(CCCCC)CC1	C104610
PADEL_EStateFP37	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP37	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP37	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP37	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_EStateFP37	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_EStateFP37	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP37	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_EStateFP37	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_EStateFP37	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP37	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_EStateFP37	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP37	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP37	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP37	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_EStateFP37	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP37	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_EStateFP37	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_EStateFP37	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_EStateFP37	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_EStateFP37	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_EStateFP37	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_EStateFP37	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_EStateFP37	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_EStateFP37	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP37	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP37	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_EStateFP37	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_EStateFP37	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_EStateFP37	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_EStateFP37	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_EStateFP37	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP37	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP37	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_EStateFP37	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_EStateFP37	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_EStateFP37	O=C(CC)OCC	C105373
PADEL_EStateFP37	O=C1OCC(CC)O1	C4437858
PADEL_EStateFP37	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP37	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_EStateFP37	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_EStateFP37	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP37	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_EStateFP37	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_EStateFP37	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_EStateFP37	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_EStateFP37	O=C(OCC)c1c(C)cccc1	C87241
PADEL_EStateFP37	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_EStateFP37	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_EStateFP37	CC(O)COCC	C1569024
PADEL_EStateFP37	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_EStateFP37	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_EStateFP37	O=C1CCC(O1)CC	C695067
PADEL_EStateFP37	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_EStateFP37	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_EStateFP37	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP37	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_EStateFP37	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_EStateFP37	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_EStateFP37	O1C=CCCC1	C110872
PADEL_EStateFP37	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_EStateFP37	O=C(C)OCC/C=C\CC	C3681718
PADEL_EStateFP37	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_EStateFP37	NCCCN1CCOCC1	C123002
PADEL_EStateFP37	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP37	O=C(CCC)OCCCCC	C540181
PADEL_EStateFP37	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_EStateFP37	O=C(C)OC(C)c1ccccc1	C93925
PADEL_EStateFP37	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_EStateFP37	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_EStateFP37	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_EStateFP37	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP37	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP37	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP37	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP37	OP(OCC)OCC	C762049
PADEL_EStateFP37	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_EStateFP37	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_EStateFP37	OCCOCC(CC)CCCC	C1559359
PADEL_EStateFP37	CCOC(OCC)OCC	C122510
PADEL_EStateFP37	CCO[Si](OCC)(OCC)CC	C78079
PADEL_EStateFP37	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP37	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_EStateFP37	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_EStateFP37	O=C(CCC)OCCCCCCC	C5870939
PADEL_EStateFP37	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_EStateFP37	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP37	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP37	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_EStateFP37	OC(C)C(=O)OCCCC	C138227
PADEL_EStateFP37	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_EStateFP37	Oc1c(OCC)cccc1	C94713
PADEL_EStateFP37	COc1ccc(CCC)cc1	C104450
PADEL_EStateFP37	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_EStateFP37	CO[Si](C)(C)OC	C1112396
PADEL_EStateFP37	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_EStateFP37	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_EStateFP37	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_EStateFP37	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP37	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_EStateFP37	CCO[Si](OCC)(C)OCC	C2031676
PADEL_EStateFP37	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_EStateFP37	CO[Si](OC)(CCC)OC	C1067250
PADEL_EStateFP37	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_EStateFP37	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_EStateFP37	O=C(C)OCCCCCCCC	C112141
PADEL_EStateFP37	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_EStateFP37	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP37	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP37	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_EStateFP37	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_EStateFP37	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_EStateFP37	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_EStateFP37	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_EStateFP37	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP37	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_EStateFP37	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_EStateFP37	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_EStateFP37	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_EStateFP37	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_EStateFP37	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_EStateFP37	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_EStateFP37	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP37	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_EStateFP37	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_EStateFP37	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_EStateFP37	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_EStateFP37	OCCOCC(C)OCCO	C9003116
PADEL_EStateFP37	O=C1OC(CCC)CC1	C105215
PADEL_EStateFP37	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_EStateFP37	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_EStateFP37	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_EStateFP37	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_EStateFP37	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_EStateFP37	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_EStateFP37	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP37	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_EStateFP37	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_EStateFP37	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_EStateFP37	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_EStateFP37	Nc1ccc(cc1)OCCCC	C4344552
PADEL_EStateFP37	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_EStateFP37	O=C(OC)c1c(C)cccc1	C89714
PADEL_EStateFP37	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_EStateFP37	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_EStateFP37	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP37	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP37	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP37	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_EStateFP37	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP37	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP37	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP37	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP37	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP37	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP37	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP37	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_EStateFP37	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP37	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP37	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP37	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP37	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP37	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_EStateFP37	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP37	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP37	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_EStateFP37	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_EStateFP37	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP37	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_EStateFP37	c1ccccc1OCCO	C122996
PADEL_EStateFP37	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP37	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_EStateFP37	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP37	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP37	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP37	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_EStateFP37	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP37	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_EStateFP37	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP37	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP37	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP37	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP37	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_EStateFP37	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP37	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_EStateFP37	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP37	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP37	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP37	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_EStateFP37	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP37	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP37	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_EStateFP37	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP37	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP37	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP37	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_EStateFP37	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP37	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_EStateFP37	NP(=O)(OC)SC	C10265926
PADEL_EStateFP37	OCCOC	C109864
PADEL_EStateFP37	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP37	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP37	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_EStateFP37	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP37	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP37	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP37	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP37	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP37	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP37	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP37	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP37	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP37	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_EStateFP37	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_EStateFP37	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP37	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_EStateFP37	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP37	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP37	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_EStateFP37	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP37	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP37	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_EStateFP37	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP37	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP37	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP37	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_EStateFP37	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_EStateFP37	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_EStateFP37	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP37	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP37	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP37	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP37	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP37	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP37	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_EStateFP37	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP37	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_EStateFP37	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_EStateFP37	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP37	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_EStateFP37	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_EStateFP37	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_EStateFP37	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP37	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP37	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP37	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP37	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_EStateFP37	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_EStateFP37	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP37	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP37	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP37	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP37	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP37	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_EStateFP37	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_EStateFP37	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP37	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_EStateFP37	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_EStateFP37	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP37	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP37	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP37	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP37	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_EStateFP37	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_EStateFP37	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP37	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP37	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP37	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP37	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP37	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_EStateFP37	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP37	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP37	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP37	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_EStateFP37	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP37	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP37	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_EStateFP37	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP37	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP37	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP37	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP37	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_EStateFP37	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP37	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP37	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_EStateFP37	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP37	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP37	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP37	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP37	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_EStateFP37	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP37	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP37	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP37	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_EStateFP37	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP37	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP37	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP37	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP37	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_EStateFP37	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_EStateFP37	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP37	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP37	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP37	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP37	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_EStateFP37	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_EStateFP37	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_EStateFP37	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP37	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_EStateFP37	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_EStateFP37	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_EStateFP37	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_EStateFP37	ClCCOCCCl	C111444
PADEL_EStateFP37	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_EStateFP37	O=C1CCCO1	C96480
PADEL_EStateFP37	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_EStateFP37	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP37	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP37	Nc1cc(ccc1OC)C	C120718
PADEL_EStateFP37	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_EStateFP37	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP37	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP37	OCCOCCO	C111466
PADEL_EStateFP37	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_EStateFP37	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_EStateFP37	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_EStateFP37	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_EStateFP37	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP37	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_EStateFP37	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_EStateFP37	O1C2C1CCC(C2)C1CO1	C106876
PADEL_EStateFP37	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_EStateFP37	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_EStateFP37	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_EStateFP37	OCC1CO1	C556525
PADEL_EStateFP37	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP37	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_EStateFP37	CS(=O)(=O)OC	C66273
PADEL_EStateFP37	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_EStateFP37	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_EStateFP37	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_EStateFP37	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_EStateFP37	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_EStateFP37	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_EStateFP37	O=S1(=O)CCCO1	C1120714
PADEL_EStateFP37	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_EStateFP37	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_EStateFP37	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_EStateFP37	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_EStateFP37	C1C(c2ccccc2)O1	C96093
PADEL_EStateFP37	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_EStateFP37	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_EStateFP37	OCCOCCOCCO	C112276
PADEL_EStateFP37	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_EStateFP37	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP37	NC(=O)OCC	C51796
PADEL_EStateFP37	CCCCOCCOCCO	C112345
PADEL_EStateFP37	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_EStateFP37	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_EStateFP37	CC(=O)OCCOCC	C111159
PADEL_EStateFP37	CCOCCOCCO	C111900
PADEL_EStateFP37	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_EStateFP37	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_EStateFP37	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_EStateFP37	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_EStateFP37	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP37	Oc1ccc(C=CC)cc1OC	C97541
PADEL_EStateFP37	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_EStateFP37	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_EStateFP37	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_EStateFP37	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_EStateFP37	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_EStateFP37	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_EStateFP37	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP37	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_EStateFP37	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_EStateFP37	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP37	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP37	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_EStateFP37	Nc1c(OC)cccc1	C90040
PADEL_EStateFP37	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_EStateFP37	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP37	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP37	O=S(=O)(OCC)OCC	C64675
PADEL_EStateFP37	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_EStateFP37	O=S(=O)(OC)OC	C77781
PADEL_EStateFP37	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_EStateFP37	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP37	CCOCCO	C110805
PADEL_EStateFP37	CCCCOCCO	C111762
PADEL_EStateFP37	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP37	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP37	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP37	OCCOCCOCCOCC	C112505
PADEL_EStateFP37	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP37	O(CCOC)CCOC	C111966
PADEL_EStateFP37	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_EStateFP37	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_EStateFP37	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_EStateFP37	O(O)C(c1ccccc1)(C)C	C80159
PADEL_EStateFP37	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP37	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_EStateFP37	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_EStateFP37	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_EStateFP37	O(CCOC)CCO	C111773
PADEL_EStateFP37	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_EStateFP37	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_EStateFP37	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_EStateFP37	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_EStateFP37	COC(=O)CCCC(=O)OC	C1119400
PADEL_EStateFP37	C(=O)(OC)CCC(=O)OC	C106650
PADEL_EStateFP37	C(CC(C)C)OC(=O)C	C123922
PADEL_EStateFP37	O=C(OC)c1c(N)cccc1	C134203
PADEL_EStateFP37	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_EStateFP37	O=C(OC)c1c(O)cccc1	C119368
PADEL_EStateFP37	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_EStateFP37	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_EStateFP37	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_EStateFP37	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_EStateFP37	C(OCCOC)COCCOC	C112492
PADEL_EStateFP37	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_EStateFP37	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP37	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_EStateFP37	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_EStateFP37	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_EStateFP37	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_EStateFP37	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_EStateFP37	O=C(OC)CCCCCCC	C111115
PADEL_EStateFP37	O=C(OC)CCCCCCCCCCC	C111820
PADEL_EStateFP37	OCCOCCCCCC	C112254
PADEL_EStateFP37	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_EStateFP37	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_EStateFP37	O=C(C)OCCCCC	C628637
PADEL_EStateFP37	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_EStateFP37	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_EStateFP37	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_EStateFP37	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_EStateFP37	OC(OC(O)CC)CC	C25265718
PADEL_EStateFP37	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_EStateFP37	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_EStateFP37	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_EStateFP37	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_EStateFP37	OC(OCCCOC)CC	C34590948
PADEL_EStateFP37	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_EStateFP37	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_EStateFP37	O=C(OC)CC(=O)OC	C108598
PADEL_EStateFP37	CCC12N(COC1)COC2	C7747355
PADEL_EStateFP37	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_EStateFP37	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP37	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP37	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_EStateFP37	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_EStateFP37	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP37	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_EStateFP37	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP37	O=C1CCC(O1)CCCCCCC	C104676
PADEL_EStateFP37	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP37	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_EStateFP37	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP37	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_EStateFP37	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_EStateFP37	O=C(OCC)CCC(=O)OCC	C123251
PADEL_EStateFP37	O=C(CCC)OCC	C105544
PADEL_EStateFP37	O=C(OCC)CCCCCC	C106309
PADEL_EStateFP37	O=C(OCCCC)c1ccccc1	C136607
PADEL_EStateFP37	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_EStateFP37	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_EStateFP37	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_EStateFP37	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_EStateFP37	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_EStateFP37	O=C(CCC)OCCC(C)C	C106274
PADEL_EStateFP37	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_EStateFP37	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_EStateFP37	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_EStateFP37	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_EStateFP37	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_EStateFP37	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP37	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP37	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_EStateFP37	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP37	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP37	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_EStateFP37	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_EStateFP37	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_EStateFP37	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP37	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP37	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP37	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP37	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_EStateFP37	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP37	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP37	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP37	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP37	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP37	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_EStateFP37	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP37	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_EStateFP37	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_EStateFP37	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_EStateFP37	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_EStateFP37	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP37	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP37	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP37	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP37	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP37	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP37	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_EStateFP37	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_EStateFP37	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_EStateFP37	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_EStateFP37	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP37	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP37	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_EStateFP37	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_EStateFP37	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP37	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_EStateFP37	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP37	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_EStateFP37	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP37	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_EStateFP37	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_EStateFP37	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP37	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_EStateFP37	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP37	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP37	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_EStateFP37	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP37	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP37	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP37	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP37	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP37	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_EStateFP37	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP37	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP37	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP37	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_EStateFP37	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP37	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP37	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP37	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP37	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP37	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP37	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_EStateFP37	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_EStateFP37	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_EStateFP37	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_EStateFP37	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_EStateFP37	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_EStateFP37	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_EStateFP37	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_EStateFP37	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_EStateFP37	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_EStateFP37	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_EStateFP37	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_EStateFP37	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP37	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP37	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_EStateFP37	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_EStateFP37	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP37	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP37	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_EStateFP37	NCCOCCOCCN	C929599
PADEL_EStateFP37	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP37	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_EStateFP37	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP37	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP37	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP37	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_EStateFP37	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_EStateFP37	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_EStateFP37	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP37	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP37	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_EStateFP37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP37	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP37	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP37	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP37	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP37	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP37	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP37	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP37	OCCC(OC)C	C2517433
PADEL_EStateFP37	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_EStateFP37	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP37	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_EStateFP37	O=COCC	C109944
PADEL_EStateFP37	O=C(OCC)c1ccccc1	C93890
PADEL_EStateFP37	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP37	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_EStateFP37	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_EStateFP37	CC(=O)OCC	C141786
PADEL_EStateFP37	CC(=O)OCCCC	C123864
PADEL_EStateFP37	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_EStateFP37	CCC1CO1	C106887
PADEL_EStateFP37	CC1CC(=O)O1	C3068880
PADEL_EStateFP37	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_EStateFP37	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_EStateFP37	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_EStateFP37	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP37	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP37	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP37	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP37	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_EStateFP37	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_EStateFP37	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_EStateFP37	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_EStateFP37	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP37	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_EStateFP37	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_EStateFP37	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP37	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP37	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP37	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_EStateFP37	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP37	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_EStateFP37	Nc1ccc(OC)cc1	C104949
PADEL_EStateFP37	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_EStateFP37	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_EStateFP37	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_EStateFP37	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_EStateFP37	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP37	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP37	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_EStateFP37	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_EStateFP37	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_EStateFP37	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_EStateFP37	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP37	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_EStateFP37	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP37	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_EStateFP37	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_EStateFP37	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_EStateFP37	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_EStateFP37	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_EStateFP37	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP37	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP37	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP37	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_EStateFP37	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP37	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_EStateFP37	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_EStateFP37	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_EStateFP37	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP37	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_EStateFP37	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP37	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_EStateFP37	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_EStateFP37	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP37	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP37	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP37	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_EStateFP37	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP37	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_EStateFP37	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP37	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_EStateFP37	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP37	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP37	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP37	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_EStateFP37	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP37	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP37	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP37	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP37	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP37	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_EStateFP37	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP37	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP37	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP37	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP37	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_EStateFP37	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_EStateFP37	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_EStateFP37	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_EStateFP37	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP37	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_EStateFP37	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_EStateFP37	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_EStateFP37	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_EStateFP37	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP37	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_EStateFP37	O=C(OC)CCCC(=O)O	C1501275
PADEL_EStateFP37	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP37	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_EStateFP37	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_EStateFP37	O=C(OCCCCO)C=C	C2478106
PADEL_EStateFP37	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_EStateFP37	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_EStateFP37	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_EStateFP37	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP37	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_EStateFP37	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_EStateFP37	NCCCOCCCCCCCC	C15930662
PADEL_EStateFP37	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_EStateFP37	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_EStateFP37	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_EStateFP37	CC1COc2ccccc2N1	C32329207
PADEL_EStateFP37	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_EStateFP37	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_EStateFP37	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_EStateFP37	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_EStateFP37	COC(OC)C(C)c1ccccc1	C90879
PADEL_EStateFP37	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_EStateFP37	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_EStateFP37	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_EStateFP37	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_EStateFP37	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP37	CC/C=C\CCOC(OCC)C	C28069741
PADEL_EStateFP37	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP37	NNC(=O)OCc1ccccc1	C5331431
PADEL_EStateFP37	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_EStateFP37	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_EStateFP37	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_EStateFP37	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP37	O=COCc1ccc(OC)cc1	C122918
PADEL_EStateFP38	F[B-](F)(F)F.[Na+]	C13755298
PADEL_EStateFP38	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_EStateFP38	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP38	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP38	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_EStateFP38	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP38	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP38	[Na+].[O-]C(=O)CF	C62748
PADEL_EStateFP38	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_EStateFP38	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_EStateFP38	Brc1ccc(F)cc1	C460004
PADEL_EStateFP38	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP38	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP38	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_EStateFP38	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_EStateFP38	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP38	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_EStateFP38	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_EStateFP38	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP38	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP38	O=C(CF)O	C144490
PADEL_EStateFP38	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_EStateFP38	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP38	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP38	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP38	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP38	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_EStateFP38	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_EStateFP38	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_EStateFP38	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_EStateFP38	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP38	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP38	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_EStateFP38	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP38	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_EStateFP38	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_EStateFP38	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP38	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP38	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_EStateFP38	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_EStateFP38	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP38	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP38	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP38	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_EStateFP38	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_EStateFP38	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP38	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP38	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_EStateFP38	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP38	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP38	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_EStateFP38	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_EStateFP38	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP38	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP38	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_EStateFP38	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP38	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP38	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_EStateFP38	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP38	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_EStateFP38	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP38	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_EStateFP38	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP38	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP38	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP38	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP38	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP38	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP38	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_EStateFP38	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP38	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_EStateFP38	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP38	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP38	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP38	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_EStateFP38	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_EStateFP38	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_EStateFP38	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_EStateFP38	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP38	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_EStateFP38	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_EStateFP38	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_EStateFP38	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_EStateFP38	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_EStateFP38	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP38	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP38	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP38	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_EStateFP38	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_EStateFP38	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_EStateFP38	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_EStateFP38	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_EStateFP38	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_EStateFP38	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_EStateFP38	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_EStateFP38	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP38	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_EStateFP38	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_EStateFP38	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP38	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP38	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP38	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_EStateFP38	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_EStateFP38	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_EStateFP38	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP38	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_EStateFP38	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP38	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_EStateFP38	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP38	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_EStateFP38	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_EStateFP38	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP38	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP38	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_EStateFP38	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP38	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_EStateFP38	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_EStateFP38	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_EStateFP38	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_EStateFP38	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_EStateFP38	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_EStateFP38	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_EStateFP38	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_EStateFP38	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_EStateFP38	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_EStateFP38	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_EStateFP38	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP38	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_EStateFP38	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_EStateFP38	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_EStateFP38	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP38	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_EStateFP38	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP38	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_EStateFP38	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP38	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP38	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP38	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP38	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP38	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_EStateFP38	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_EStateFP38	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_EStateFP38	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_EStateFP38	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_EStateFP38	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_EStateFP38	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP38	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP38	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_EStateFP38	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP38	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_EStateFP38	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP38	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_EStateFP38	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_EStateFP38	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP38	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP38	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP38	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP38	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_EStateFP38	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_EStateFP38	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP38	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_EStateFP38	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_EStateFP38	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_EStateFP38	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_EStateFP38	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP38	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_EStateFP38	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP38	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP38	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP38	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP38	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP38	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP38	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_EStateFP38	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP38	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_EStateFP38	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_EStateFP38	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_EStateFP38	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP42	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_EStateFP42	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_EStateFP42	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_EStateFP42	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_EStateFP42	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_EStateFP42	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_EStateFP42	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_EStateFP42	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_EStateFP42	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_EStateFP42	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_EStateFP42	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_EStateFP42	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_EStateFP42	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_EStateFP42	CCO[Si](OCC)(OCC)CC	C78079
PADEL_EStateFP42	CO[Si](C)(C)OC	C1112396
PADEL_EStateFP42	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_EStateFP42	CCO[Si](OCC)(C)OCC	C2031676
PADEL_EStateFP42	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_EStateFP42	CO[Si](OC)(CCC)OC	C1067250
PADEL_EStateFP42	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_EStateFP42	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_EStateFP42	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_EStateFP42	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_EStateFP42	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_EStateFP45	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PADEL_EStateFP45	ClCCOP(OCCCl)OCCCl	C140089
PADEL_EStateFP45	ClP(c1ccccc1)Cl	C644973
PADEL_EStateFP45	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_EStateFP45	OP(OCC)OCC	C762049
PADEL_EStateFP45	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_EStateFP45	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_EStateFP46	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_EStateFP46	O=P(OC)(OC)OC	C512561
PADEL_EStateFP46	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP46	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_EStateFP46	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP46	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_EStateFP46	OP(=O)(O)O	C7664382
PADEL_EStateFP46	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_EStateFP46	O=P(OCC)(OCC)OCC	C78400
PADEL_EStateFP46	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP46	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_EStateFP46	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP46	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP46	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP46	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP46	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP46	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_EStateFP46	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_EStateFP46	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_EStateFP46	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP46	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP46	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP46	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP46	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP46	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP46	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP46	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP46	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP46	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_EStateFP46	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP46	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP46	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP46	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP46	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_EStateFP46	ClCCP(=O)(O)O	C16672870
PADEL_EStateFP46	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP46	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_EStateFP46	NP(=O)(OC)SC	C10265926
PADEL_EStateFP46	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP46	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP46	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP46	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP46	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP46	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_EStateFP46	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP46	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP46	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP46	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP46	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_EStateFP46	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_EStateFP46	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP46	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_EStateFP46	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP46	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP46	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_EStateFP46	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP46	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP46	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_EStateFP46	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_EStateFP46	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_EStateFP46	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_EStateFP46	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP46	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_EStateFP46	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP46	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP46	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP46	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP46	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP46	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_EStateFP46	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_EStateFP46	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP46	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP46	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP46	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_EStateFP46	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP46	O=P(OCCCC)(O)OCCCC	C107664
PADEL_EStateFP46	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP46	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP46	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP46	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP48	C(CCCCCC)CCCCCS	C112550
PADEL_EStateFP48	O=C(O)CS	C68111
PADEL_EStateFP48	Sc1ccccc1	C108985
PADEL_EStateFP48	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_EStateFP48	SC(C)(C)CCCCCC	C25360105
PADEL_EStateFP48	Sc1ccc(C)cc1	C106456
PADEL_EStateFP48	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_EStateFP48	Sc1nc2c(cccc2)s1	C149304
PADEL_EStateFP48	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_EStateFP48	SC1CCCC1	C1679078
PADEL_EStateFP49	C=CCN=C=S	C57067
PADEL_EStateFP49	S=C(NCC)NCC	C105555
PADEL_EStateFP49	NC(=S)N	C62566
PADEL_EStateFP49	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP49	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_EStateFP49	NNC(=S)NN	C2231574
PADEL_EStateFP49	[S-]C(=S)NC.[Na+]	C137428
PADEL_EStateFP49	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP49	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP49	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_EStateFP49	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_EStateFP49	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP49	S=C(NC)NC	C534134
PADEL_EStateFP49	NNC(=S)NC	C6610293
PADEL_EStateFP49	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP49	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP49	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_EStateFP49	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP49	S=C1NCCN1	C96457
PADEL_EStateFP49	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP49	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP49	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_EStateFP49	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP49	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_EStateFP49	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_EStateFP49	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP49	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP49	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP49	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_EStateFP49	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_EStateFP49	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP49	S=C=NC	C556616
PADEL_EStateFP49	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP49	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP49	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_EStateFP49	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_EStateFP49	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_EStateFP49	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_EStateFP49	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP49	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_EStateFP49	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_EStateFP49	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP49	[nH]1c(=S)n(cc1)C	C60560
PADEL_EStateFP49	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_EStateFP49	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_EStateFP49	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP49	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_EStateFP49	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_EStateFP49	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_EStateFP49	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP49	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP49	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_EStateFP49	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP49	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_EStateFP49	S=C(NCCCC)NCCCC	C109466
PADEL_EStateFP49	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_EStateFP49	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP49	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_EStateFP49	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_EStateFP49	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP49	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP49	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP49	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_EStateFP49	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP49	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP49	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_EStateFP49	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_EStateFP49	S=C=NCCCSC	C505793
PADEL_EStateFP50	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP50	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP50	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP50	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_EStateFP50	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP50	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP50	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP50	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP50	OCCSCCCCCCCC	C3547339
PADEL_EStateFP50	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP50	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP50	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP50	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP50	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP50	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP50	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP50	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP50	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP50	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP50	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP50	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP50	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP50	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP50	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP50	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP50	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP50	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP50	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP50	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP50	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP50	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP50	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP50	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP50	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_EStateFP50	NP(=O)(OC)SC	C10265926
PADEL_EStateFP50	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_EStateFP50	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP50	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP50	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_EStateFP50	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP50	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP50	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP50	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP50	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP50	C(SC#N)SC#N	C6317186
PADEL_EStateFP50	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP50	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP50	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP50	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP50	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP50	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP50	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP50	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP50	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP50	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP50	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_EStateFP50	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP50	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP50	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP50	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP50	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP50	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP50	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP50	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_EStateFP50	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP50	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_EStateFP50	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP50	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP50	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP50	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP50	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP50	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP50	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP50	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP50	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP50	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP50	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP50	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP50	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP50	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP50	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP50	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP50	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP50	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP50	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_EStateFP50	O=CCCSC	C3268493
PADEL_EStateFP50	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP50	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_EStateFP50	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_EStateFP50	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP50	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP50	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP50	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP50	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP50	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP50	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP50	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_EStateFP50	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP50	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP50	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP50	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP50	N#CSCCCCCCCCCCCC	C765151
PADEL_EStateFP50	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP50	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP50	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP50	S=C=NCCCSC	C505793
PADEL_EStateFP50	c1(SSc2cccs2)cccs1	C6911519
PADEL_EStateFP50	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP50	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_EStateFP51	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_EStateFP51	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_EStateFP51	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_EStateFP51	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_EStateFP51	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_EStateFP51	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_EStateFP51	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_EStateFP51	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_EStateFP51	OCCSCCCCCCCC	C3547339
PADEL_EStateFP51	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP51	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_EStateFP51	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_EStateFP51	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP51	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_EStateFP51	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_EStateFP51	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP51	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP51	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_EStateFP51	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_EStateFP51	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_EStateFP51	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_EStateFP51	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_EStateFP51	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_EStateFP51	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_EStateFP51	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP51	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_EStateFP51	CSC(=NOC(=O)NC)C	C16752775
PADEL_EStateFP51	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_EStateFP51	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_EStateFP51	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_EStateFP51	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_EStateFP51	CCCN(CCC)C(=O)SCC	C759944
PADEL_EStateFP51	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_EStateFP51	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_EStateFP51	NP(=O)(OC)SC	C10265926
PADEL_EStateFP51	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_EStateFP51	O=C(SCC)N1CCCCCC1	C2212671
PADEL_EStateFP51	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP51	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_EStateFP51	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP51	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_EStateFP51	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP51	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP51	CN1CN(C)CSC1=S	C533744
PADEL_EStateFP51	C(SC#N)SC#N	C6317186
PADEL_EStateFP51	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP51	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_EStateFP51	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_EStateFP51	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP51	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_EStateFP51	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_EStateFP51	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP51	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP51	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_EStateFP51	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_EStateFP51	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_EStateFP51	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP51	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_EStateFP51	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_EStateFP51	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP51	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_EStateFP51	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP51	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_EStateFP51	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_EStateFP51	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP51	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_EStateFP51	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_EStateFP51	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_EStateFP51	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_EStateFP51	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_EStateFP51	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_EStateFP51	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_EStateFP51	ON=CC(C)(C)SC	C1646759
PADEL_EStateFP51	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP51	S=P(OCC)(OCC)SCSCC	C298022
PADEL_EStateFP51	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_EStateFP51	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP51	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_EStateFP51	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP51	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP51	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP51	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_EStateFP51	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP51	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_EStateFP51	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_EStateFP51	O=CCCSC	C3268493
PADEL_EStateFP51	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_EStateFP51	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_EStateFP51	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_EStateFP51	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_EStateFP51	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_EStateFP51	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_EStateFP51	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_EStateFP51	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP51	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_EStateFP51	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_EStateFP51	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_EStateFP51	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_EStateFP51	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_EStateFP51	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP51	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_EStateFP51	N#CSCCCCCCCCCCCC	C765151
PADEL_EStateFP51	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP51	O=C(O)CCSCCC(=O)O	C111171
PADEL_EStateFP51	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_EStateFP51	S=C=NCCCSC	C505793
PADEL_EStateFP51	c1(SSc2cccs2)cccs1	C6911519
PADEL_EStateFP51	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_EStateFP51	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_EStateFP52	CS(=O)C	C67685
PADEL_EStateFP52	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_EStateFP52	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_EStateFP52	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP52	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP52	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_EStateFP52	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP52	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_EStateFP52	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_EStateFP52	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_EStateFP52	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_EStateFP53	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_EStateFP53	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP53	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_EStateFP53	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_EStateFP53	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_EStateFP53	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_EStateFP53	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_EStateFP53	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_EStateFP53	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_EStateFP53	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_EStateFP53	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_EStateFP53	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_EStateFP53	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_EStateFP53	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_EStateFP53	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_EStateFP53	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_EStateFP53	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_EStateFP53	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_EStateFP53	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_EStateFP53	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_EStateFP53	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_EStateFP53	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_EStateFP53	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_EStateFP53	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_EStateFP53	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_EStateFP53	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_EStateFP53	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_EStateFP53	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_EStateFP53	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_EStateFP53	O=S(=O)(N)O	C5329146
PADEL_EStateFP53	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_EStateFP53	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_EStateFP53	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_EStateFP53	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_EStateFP53	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_EStateFP53	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_EStateFP53	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP53	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_EStateFP53	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_EStateFP53	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_EStateFP53	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_EStateFP53	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_EStateFP53	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_EStateFP53	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_EStateFP53	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_EStateFP53	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP53	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP53	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_EStateFP53	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_EStateFP53	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_EStateFP53	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_EStateFP53	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP53	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_EStateFP53	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_EStateFP53	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_EStateFP53	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_EStateFP53	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_EStateFP53	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_EStateFP53	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_EStateFP53	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_EStateFP53	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_EStateFP53	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_EStateFP53	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_EStateFP53	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_EStateFP53	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_EStateFP53	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_EStateFP53	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_EStateFP53	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_EStateFP53	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_EStateFP53	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_EStateFP53	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_EStateFP53	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_EStateFP53	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_EStateFP53	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_EStateFP53	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_EStateFP53	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_EStateFP53	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_EStateFP53	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_EStateFP53	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_EStateFP53	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_EStateFP53	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_EStateFP53	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_EStateFP53	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_EStateFP53	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP53	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP53	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP53	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_EStateFP53	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP53	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_EStateFP53	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_EStateFP53	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_EStateFP53	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_EStateFP53	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_EStateFP53	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_EStateFP53	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP53	CS(=O)(=O)OC	C66273
PADEL_EStateFP53	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_EStateFP53	O=S1(=O)CCCO1	C1120714
PADEL_EStateFP53	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_EStateFP53	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_EStateFP53	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_EStateFP53	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_EStateFP53	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_EStateFP53	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_EStateFP53	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_EStateFP53	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_EStateFP53	O=S(=O)(OCC)OCC	C64675
PADEL_EStateFP53	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_EStateFP53	O=S(=O)(OC)OC	C77781
PADEL_EStateFP53	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP53	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_EStateFP53	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_EStateFP53	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_EStateFP53	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_EStateFP53	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_EStateFP53	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_EStateFP53	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_EStateFP53	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_EStateFP53	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_EStateFP53	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_EStateFP53	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_EStateFP53	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_EStateFP53	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_EStateFP53	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_EStateFP53	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_EStateFP53	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_EStateFP53	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_EStateFP53	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_EStateFP53	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_EStateFP53	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_EStateFP53	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_EStateFP53	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP53	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_EStateFP53	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_EStateFP53	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP53	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_EStateFP53	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_EStateFP53	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP53	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_EStateFP53	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_EStateFP53	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_EStateFP53	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP53	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_EStateFP53	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_EStateFP53	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_EStateFP53	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_EStateFP53	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_EStateFP53	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_EStateFP53	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP53	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP53	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP53	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP53	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP53	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_EStateFP53	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP53	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_EStateFP53	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_EStateFP53	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP53	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_EStateFP53	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_EStateFP53	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_EStateFP53	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_EStateFP53	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_EStateFP53	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP53	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_EStateFP53	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_EStateFP53	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_EStateFP53	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_EStateFP53	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_EStateFP53	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_EStateFP53	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_EStateFP53	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_EStateFP53	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_EStateFP53	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_EStateFP53	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_EStateFP53	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_EStateFP53	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP53	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_EStateFP53	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP53	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_EStateFP53	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_EStateFP53	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP53	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_EStateFP53	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_EStateFP53	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_EStateFP53	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_EStateFP53	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_EStateFP54	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_EStateFP54	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_EStateFP54	Clc1c(ccc(c1)N)C	C95749
PADEL_EStateFP54	O=CCCl	C107200
PADEL_EStateFP54	ClCOC	C107302
PADEL_EStateFP54	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_EStateFP54	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_EStateFP54	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_EStateFP54	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_EStateFP54	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_EStateFP54	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_EStateFP54	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_EStateFP54	OC(CO)CCl	C96242
PADEL_EStateFP54	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_EStateFP54	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_EStateFP54	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_EStateFP54	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_EStateFP54	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_EStateFP54	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_EStateFP54	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_EStateFP54	ClCC(Cl)CCl	C96184
PADEL_EStateFP54	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_EStateFP54	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_EStateFP54	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_EStateFP54	Oc1ccc(Cl)cc1	C106489
PADEL_EStateFP54	C=CC(Cl)CCl	C760236
PADEL_EStateFP54	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_EStateFP54	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_EStateFP54	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_EStateFP54	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_EStateFP54	Cl/C=C/Cl	C156605
PADEL_EStateFP54	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_EStateFP54	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_EStateFP54	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_EStateFP54	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_EStateFP54	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_EStateFP54	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_EStateFP54	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_EStateFP54	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_EStateFP54	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_EStateFP54	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_EStateFP54	Oc1cc(Cl)ccc1Cl	C583788
PADEL_EStateFP54	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_EStateFP54	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_EStateFP54	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_EStateFP54	ClCCOP(OCCCl)OCCCl	C140089
PADEL_EStateFP54	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_EStateFP54	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_EStateFP54	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_EStateFP54	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_EStateFP54	ClP(c1ccccc1)Cl	C644973
PADEL_EStateFP54	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_EStateFP54	Cl[Sn](C)(C)Cl	C753731
PADEL_EStateFP54	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_EStateFP54	O=C(CCl)[O-].[Na+]	C3926623
PADEL_EStateFP54	Clc1cccc(C)c1	C25168052
PADEL_EStateFP54	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_EStateFP54	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP54	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_EStateFP54	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_EStateFP54	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_EStateFP54	ClC(Cl)(C)C	C594207
PADEL_EStateFP54	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_EStateFP54	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_EStateFP54	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_EStateFP54	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_EStateFP54	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_EStateFP54	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_EStateFP54	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_EStateFP54	Clc1c(Cl)ssc1=O	C1192525
PADEL_EStateFP54	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP54	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP54	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_EStateFP54	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_EStateFP54	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP54	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_EStateFP54	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_EStateFP54	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_EStateFP54	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_EStateFP54	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_EStateFP54	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_EStateFP54	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_EStateFP54	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_EStateFP54	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_EStateFP54	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_EStateFP54	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_EStateFP54	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_EStateFP54	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_EStateFP54	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_EStateFP54	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_EStateFP54	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_EStateFP54	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_EStateFP54	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_EStateFP54	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_EStateFP54	O=C(Nc1ccccc1)CCl	C587655
PADEL_EStateFP54	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_EStateFP54	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_EStateFP54	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_EStateFP54	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_EStateFP54	Cl[Dy](Cl)Cl	C10025748
PADEL_EStateFP54	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_EStateFP54	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_EStateFP54	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_EStateFP54	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_EStateFP54	Clc1ccc(CCCC)cc1	C15499271
PADEL_EStateFP54	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_EStateFP54	Clc1ccc(CCCCC)cc1	C79098207
PADEL_EStateFP54	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_EStateFP54	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_EStateFP54	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_EStateFP54	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_EStateFP54	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_EStateFP54	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_EStateFP54	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_EStateFP54	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_EStateFP54	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_EStateFP54	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_EStateFP54	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_EStateFP54	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_EStateFP54	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_EStateFP54	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_EStateFP54	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_EStateFP54	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_EStateFP54	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_EStateFP54	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_EStateFP54	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_EStateFP54	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_EStateFP54	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_EStateFP54	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_EStateFP54	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_EStateFP54	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_EStateFP54	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_EStateFP54	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_EStateFP54	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_EStateFP54	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_EStateFP54	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_EStateFP54	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_EStateFP54	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_EStateFP54	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_EStateFP54	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_EStateFP54	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_EStateFP54	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_EStateFP54	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_EStateFP54	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_EStateFP54	ClCCP(=O)(O)O	C16672870
PADEL_EStateFP54	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_EStateFP54	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_EStateFP54	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_EStateFP54	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_EStateFP54	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP54	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_EStateFP54	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_EStateFP54	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_EStateFP54	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_EStateFP54	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_EStateFP54	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_EStateFP54	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_EStateFP54	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_EStateFP54	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_EStateFP54	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_EStateFP54	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_EStateFP54	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_EStateFP54	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_EStateFP54	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_EStateFP54	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_EStateFP54	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_EStateFP54	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_EStateFP54	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_EStateFP54	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_EStateFP54	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_EStateFP54	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_EStateFP54	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_EStateFP54	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_EStateFP54	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_EStateFP54	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_EStateFP54	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_EStateFP54	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP54	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_EStateFP54	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_EStateFP54	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_EStateFP54	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_EStateFP54	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_EStateFP54	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_EStateFP54	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_EStateFP54	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_EStateFP54	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_EStateFP54	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_EStateFP54	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_EStateFP54	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_EStateFP54	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_EStateFP54	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_EStateFP54	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_EStateFP54	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_EStateFP54	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_EStateFP54	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_EStateFP54	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_EStateFP54	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_EStateFP54	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_EStateFP54	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_EStateFP54	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_EStateFP54	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_EStateFP54	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_EStateFP54	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_EStateFP54	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_EStateFP54	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_EStateFP54	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_EStateFP54	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_EStateFP54	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_EStateFP54	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_EStateFP54	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_EStateFP54	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_EStateFP54	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_EStateFP54	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_EStateFP54	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_EStateFP54	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_EStateFP54	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_EStateFP54	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_EStateFP54	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_EStateFP54	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_EStateFP54	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_EStateFP54	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_EStateFP54	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_EStateFP54	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_EStateFP54	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_EStateFP54	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_EStateFP54	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_EStateFP54	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_EStateFP54	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_EStateFP54	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_EStateFP54	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_EStateFP54	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_EStateFP54	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_EStateFP54	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_EStateFP54	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_EStateFP54	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_EStateFP54	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_EStateFP54	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_EStateFP54	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_EStateFP54	ClCCOCCCl	C111444
PADEL_EStateFP54	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_EStateFP54	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_EStateFP54	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_EStateFP54	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_EStateFP54	Nc1c(ccc(c1)Cl)N	C95830
PADEL_EStateFP54	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_EStateFP54	O=C(c1ccccc1)CCl	C532274
PADEL_EStateFP54	Nc1ccc(cc1)Cl	C106478
PADEL_EStateFP54	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_EStateFP54	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_EStateFP54	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_EStateFP54	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_EStateFP54	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_EStateFP54	OC(=O)C(Cl)Cl	C79436
PADEL_EStateFP54	Clc1c(cccc1)Cl	C95501
PADEL_EStateFP54	Clc1ccc(cc1)Cl	C106467
PADEL_EStateFP54	Clc1c(ccc(c1)Cl)O	C120832
PADEL_EStateFP54	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_EStateFP54	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_EStateFP54	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_EStateFP54	O=C(N(C)C)Cl	C79447
PADEL_EStateFP54	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_EStateFP54	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_EStateFP54	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_EStateFP54	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_EStateFP54	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_EStateFP54	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_EStateFP54	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_EStateFP54	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_EStateFP54	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_EStateFP54	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_EStateFP54	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_EStateFP54	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_EStateFP54	Oc1ccccc1Cl	C95578
PADEL_EStateFP54	CC(Cl)(Cl)C(=O)O	C75990
PADEL_EStateFP54	Oc1cc(C)c(Cl)cc1	C59507
PADEL_EStateFP54	ClCCO	C107073
PADEL_EStateFP54	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_EStateFP54	Clc1cc(Cl)ccc1	C541731
PADEL_EStateFP54	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_EStateFP54	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_EStateFP54	Cc1ccccc1Cl	C95498
PADEL_EStateFP54	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_EStateFP54	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_EStateFP54	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_EStateFP54	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_EStateFP54	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_EStateFP54	Cc1ccc(Cl)cc1	C106434
PADEL_EStateFP54	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_EStateFP54	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_EStateFP54	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_EStateFP54	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_EStateFP54	OC(CCl)CCl	C96231
PADEL_EStateFP54	c1(ccccc1)C(Cl)Cl	C98873
PADEL_EStateFP54	Clc1c(Cl)cccc1Cl	C87616
PADEL_EStateFP54	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_EStateFP54	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_EStateFP54	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_EStateFP54	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_EStateFP54	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_EStateFP54	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_EStateFP54	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_EStateFP54	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_EStateFP54	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_EStateFP54	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_EStateFP54	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_EStateFP54	O=c1n(C)sc(Cl)c1	C26172554
PADEL_EStateFP54	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_EStateFP54	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_EStateFP54	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_EStateFP54	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_EStateFP54	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_EStateFP54	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_EStateFP54	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_EStateFP54	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_EStateFP54	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_EStateFP54	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP54	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_EStateFP54	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_EStateFP54	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_EStateFP54	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_EStateFP54	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_EStateFP54	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_EStateFP54	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_EStateFP54	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_EStateFP54	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP54	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_EStateFP54	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_EStateFP54	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_EStateFP54	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_EStateFP54	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_EStateFP54	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_EStateFP54	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_EStateFP54	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_EStateFP54	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_EStateFP54	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_EStateFP54	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_EStateFP54	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_EStateFP54	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_EStateFP54	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_EStateFP54	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_EStateFP54	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_EStateFP54	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_EStateFP54	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_EStateFP54	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_EStateFP54	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_EStateFP54	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_EStateFP54	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_EStateFP54	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_EStateFP54	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_EStateFP54	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_EStateFP54	Clc1ccc(N)cc1.Cl	C20265967
PADEL_EStateFP54	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_EStateFP54	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_EStateFP54	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_EStateFP54	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_EStateFP54	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_EStateFP54	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_EStateFP54	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_EStateFP54	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_EStateFP54	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_EStateFP54	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_EStateFP54	O=C(CCl)CCl	C534076
PADEL_EStateFP54	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_EStateFP54	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_EStateFP54	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_EStateFP54	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_EStateFP54	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_EStateFP54	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_EStateFP54	ClC(=O)C(CC)CCCC	C760678
PADEL_EStateFP54	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_EStateFP54	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_EStateFP54	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_EStateFP54	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_EStateFP54	Cl[In](Cl)Cl	C10025828
PADEL_EStateFP54	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_EStateFP54	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_EStateFP54	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_EStateFP54	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_EStateFP54	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP54	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_EStateFP54	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_EStateFP54	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_EStateFP54	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_EStateFP54	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_EStateFP54	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_EStateFP54	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_EStateFP54	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_EStateFP54	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_EStateFP54	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_EStateFP54	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP54	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_EStateFP54	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_EStateFP54	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP54	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_EStateFP54	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_EStateFP54	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_EStateFP54	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_EStateFP54	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_EStateFP54	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_EStateFP54	Cl[Hg]c1ccccc1	C100561
PADEL_EStateFP54	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_EStateFP54	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_EStateFP54	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_EStateFP54	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_EStateFP54	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_EStateFP54	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_EStateFP54	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_EStateFP54	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_EStateFP54	Cl[Sb](Cl)Cl	C10025919
PADEL_EStateFP54	Cl[Au](Cl)Cl	C13453071
PADEL_EStateFP54	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_EStateFP54	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_EStateFP54	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_EStateFP54	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_EStateFP54	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_EStateFP54	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_EStateFP54	Cl[In](Cl)Cl.O.O	C143983919
PADEL_EStateFP54	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_EStateFP62	C[As](=O)(C)O	C75605
PADEL_EStateFP70	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_EStateFP70	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_EStateFP70	BrCCBr	C106934
PADEL_EStateFP70	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_EStateFP70	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_EStateFP70	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_EStateFP70	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_EStateFP70	Brc1ccc(F)cc1	C460004
PADEL_EStateFP70	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_EStateFP70	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_EStateFP70	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_EStateFP70	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_EStateFP70	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_EStateFP70	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_EStateFP70	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_EStateFP70	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_EStateFP70	O=C(CBr)OCc1ccccc1	C5437456
PADEL_EStateFP70	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_EStateFP70	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_EStateFP70	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_EStateFP70	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_EStateFP70	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_EStateFP70	OCC(CO)(CBr)CBr	C3296900
PADEL_EStateFP70	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_EStateFP70	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_EStateFP70	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_EStateFP70	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_EStateFP70	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_EStateFP70	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_EStateFP70	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_EStateFP70	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_EStateFP70	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_EStateFP70	N#CC(Br)Br	C3252435
PADEL_EStateFP70	OCCCBr	C627189
PADEL_EStateFP70	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_EStateFP70	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_EStateFP70	Nc1ccc(Br)cc1	C106401
PADEL_EStateFP70	Brc1ccccc1c1ccccc1	C2052075
PADEL_EStateFP70	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_EStateFP70	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_EStateFP70	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_EStateFP70	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_EStateFP70	Br[Sn](CC)(CC)CC	C2767546
PADEL_EStateFP70	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_EStateFP70	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_EStateFP70	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_EStateFP70	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_EStateFP70	BrCCCCCCCCCCCC	C143157
PADEL_EStateFP70	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_EStateFP70	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_EStateFP74	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_EStateFP74	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_EStateFP74	Cl[Sn](C)(C)Cl	C753731
PADEL_EStateFP74	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_EStateFP74	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_EStateFP74	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_EStateFP74	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_EStateFP74	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_EStateFP74	Br[Sn](CC)(CC)CC	C2767546
PADEL_EStateFP74	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_EStateFP74	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_EStateFP75	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_EStateFP75	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_EStateFP75	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_EStateFP75	[Na]I	C7681825
PADEL_EStateFP75	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_EStateFP75	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_EStateFP75	O=C(NCCCC)OCC#CI	C55406536
PADEL_EStateFP75	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_EStateFP75	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_EStateFP75	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_EStateFP75	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_EStateFP75	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_EStateFP75	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_EStateFP75	IC(=C(I)I)I	C513928
PADEL_EStateFP75	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP1	CC(=O)N	C60355
PADEL_SubFP1	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_SubFP1	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP1	CC(=O)OCc1ccccc1	C140114
PADEL_SubFP1	CC(CNCC(C)O)O	C110974
PADEL_SubFP1	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_SubFP1	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP1	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_SubFP1	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_SubFP1	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_SubFP1	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_SubFP1	Clc1c(ccc(c1)N)C	C95749
PADEL_SubFP1	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_SubFP1	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP1	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_SubFP1	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP1	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_SubFP1	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_SubFP1	S=C(NCC)NCC	C105555
PADEL_SubFP1	CN(C)C(=O)C	C127195
PADEL_SubFP1	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_SubFP1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP1	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP1	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_SubFP1	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_SubFP1	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP1	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP1	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_SubFP1	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_SubFP1	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP1	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP1	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_SubFP1	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP1	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_SubFP1	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_SubFP1	C=Cc1ccc(cc1)C	C622979
PADEL_SubFP1	O=[N+](CC)[O-]	C79243
PADEL_SubFP1	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP1	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP1	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP1	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP1	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_SubFP1	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP1	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_SubFP1	Nc1ccccc1C.Cl	C636215
PADEL_SubFP1	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP1	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP1	OCCOCCOCCOCCCC	C143226
PADEL_SubFP1	CCCCCCCCCC=O	C112312
PADEL_SubFP1	CCCCCCCCCCCC(=O)O	C143077
PADEL_SubFP1	O=CCCCCCC	C111717
PADEL_SubFP1	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_SubFP1	CCCCCCCCC=O	C124196
PADEL_SubFP1	OC(=O)CCCC	C109524
PADEL_SubFP1	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_SubFP1	OCCC	C71238
PADEL_SubFP1	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP1	OC(C)CN	C78966
PADEL_SubFP1	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_SubFP1	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP1	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_SubFP1	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_SubFP1	Nc1ccc(CCCC)cc1	C104132
PADEL_SubFP1	CCOC(=O)CC(=O)OCC	C105533
PADEL_SubFP1	CC(O)CC(C)(C)O	C107415
PADEL_SubFP1	CCCC(=O)C	C107879
PADEL_SubFP1	CCCCCC(=O)C	C110430
PADEL_SubFP1	CCNCCO	C110736
PADEL_SubFP1	CCCCCCO	C111273
PADEL_SubFP1	CCCCCCCO	C111706
PADEL_SubFP1	CCCCCCCCCC(=O)C	C112129
PADEL_SubFP1	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_SubFP1	Oc1ccc(CC)cc1	C123079
PADEL_SubFP1	CCCCCC(=O)OCC	C123660
PADEL_SubFP1	CCCCCCCCCCCCN	C124221
PADEL_SubFP1	CCCCCCCCCO	C143088
PADEL_SubFP1	O=C(OC(C)(C)C)C	C540885
PADEL_SubFP1	Oc1ccc(CCC)cc1	C645567
PADEL_SubFP1	CCCCCCC1OC(=O)CC1	C706149
PADEL_SubFP1	CC/C=C\CCO	C928961
PADEL_SubFP1	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_SubFP1	CCCCCCCCCCN	C2016571
PADEL_SubFP1	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_SubFP1	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP1	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_SubFP1	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_SubFP1	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP1	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_SubFP1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP1	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP1	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_SubFP1	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_SubFP1	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP1	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_SubFP1	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP1	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_SubFP1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP1	c1(c(CC)cccc1)O	C90006
PADEL_SubFP1	c1c(O)cccc1CC	C620177
PADEL_SubFP1	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_SubFP1	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_SubFP1	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_SubFP1	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP1	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_SubFP1	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_SubFP1	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP1	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP1	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_SubFP1	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP1	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP1	C(=O)(O)C(C)O	C50215
PADEL_SubFP1	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP1	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_SubFP1	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_SubFP1	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP1	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP1	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP1	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP1	CC(=C)C#N	C126987
PADEL_SubFP1	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_SubFP1	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_SubFP1	Cc1cc(O)ccc1	C108394
PADEL_SubFP1	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP1	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_SubFP1	CC(O)COC	C107982
PADEL_SubFP1	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP1	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_SubFP1	ON=CCCC	C110690
PADEL_SubFP1	O=C(OCCCC)C=C	C141322
PADEL_SubFP1	C(C)(C)(C)N	C75649
PADEL_SubFP1	C(OCCCC)C1CO1	C2426086
PADEL_SubFP1	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_SubFP1	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_SubFP1	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_SubFP1	C(C(=O)C)C(C)(C)O	C123422
PADEL_SubFP1	O=C(CC(C)C)CC(C)C	C108838
PADEL_SubFP1	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_SubFP1	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP1	Cc1c(C)cccc1O	C526750
PADEL_SubFP1	Cc1cc(C)cc(O)c1	C108689
PADEL_SubFP1	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_SubFP1	C(CCCCCC)CCCCCS	C112550
PADEL_SubFP1	O=C(OCC)c1c(N)cccc1	C87252
PADEL_SubFP1	C(CC)(C=O)CCCC	C123057
PADEL_SubFP1	OCC(C(O)CCC)CC	C94962
PADEL_SubFP1	CCC(=CCCC)C=O	C645625
PADEL_SubFP1	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_SubFP1	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP1	CC=C1CC2C=CC1C2	C16219753
PADEL_SubFP1	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_SubFP1	C(C)(C)(O)C#N	C75865
PADEL_SubFP1	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_SubFP1	O(C(C)C)C(=O)C	C108214
PADEL_SubFP1	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_SubFP1	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_SubFP1	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_SubFP1	N#CC(CCC#N)C	C4553622
PADEL_SubFP1	O=C(C)C=Cc1ccccc1	C122576
PADEL_SubFP1	C(CCCCCCC)C	C111842
PADEL_SubFP1	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_SubFP1	O(c1ccc(N)cc1)CC	C156434
PADEL_SubFP1	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_SubFP1	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP1	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP1	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP1	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP1	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP1	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP1	Cc1cccc(C)c1	C108383
PADEL_SubFP1	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_SubFP1	N#CC(C)C	C78820
PADEL_SubFP1	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_SubFP1	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_SubFP1	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_SubFP1	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_SubFP1	O=C(C)OCC(CC)CCCC	C103093
PADEL_SubFP1	O=C1OCC(C)O1	C108327
PADEL_SubFP1	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_SubFP1	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_SubFP1	O=C(OC)CCCCCCCCC	C110429
PADEL_SubFP1	O=C(C)OCCOC(=O)C	C111557
PADEL_SubFP1	O=C(C)OCCOCCCC	C112072
PADEL_SubFP1	CCCCCCCCCCCCN(C)C	C112185
PADEL_SubFP1	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_SubFP1	OC(CCCCCC)C	C123966
PADEL_SubFP1	OCC(N)(C)C	C124685
PADEL_SubFP1	OCC(C)(C)CO	C126307
PADEL_SubFP1	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP1	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_SubFP1	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP1	CC1=CCC(=C(C)C)CC1	C586629
PADEL_SubFP1	O=COC(C)C	C625558
PADEL_SubFP1	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_SubFP1	OC(C)COc1ccccc1	C770354
PADEL_SubFP1	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_SubFP1	O=C(N(C)C)CCCCCCC	C1118929
PADEL_SubFP1	Nc1cccc(C)c1C	C1300738
PADEL_SubFP1	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_SubFP1	OCCOCCOCCOCCOCCCC	C1559348
PADEL_SubFP1	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_SubFP1	O=C(N(C)C)CC(=O)C	C2044646
PADEL_SubFP1	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP1	OCCOCCC	C2807309
PADEL_SubFP1	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP1	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_SubFP1	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_SubFP1	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_SubFP1	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_SubFP1	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_SubFP1	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP1	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_SubFP1	Nc1c(C)cccc1CC	C24549062
PADEL_SubFP1	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_SubFP1	Clc1cccc(C)c1	C25168052
PADEL_SubFP1	CC(CO)O	C25322694
PADEL_SubFP1	SC(C)(C)CCCCCC	C25360105
PADEL_SubFP1	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_SubFP1	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_SubFP1	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP1	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP1	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_SubFP1	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_SubFP1	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_SubFP1	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_SubFP1	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_SubFP1	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_SubFP1	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_SubFP1	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_SubFP1	OC(CCCC(C)C)(C)CC	C78693
PADEL_SubFP1	Cc1cc(C)c(C)cc1C	C95932
PADEL_SubFP1	O=C(c1ccc(O)cc1)C	C99934
PADEL_SubFP1	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_SubFP1	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_SubFP1	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP1	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP1	O=C(C=C(C)C)C	C141797
PADEL_SubFP1	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_SubFP1	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP1	OC(C)COCCC	C1569013
PADEL_SubFP1	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_SubFP1	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_SubFP1	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_SubFP1	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_SubFP1	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP1	OCC(CCC)CCCCC	C10042598
PADEL_SubFP1	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_SubFP1	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_SubFP1	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_SubFP1	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP1	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_SubFP1	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_SubFP1	CC(=C)C1CC=C(C)CC1	C138863
PADEL_SubFP1	OC1CC(CCC1C(C)C)C	C1490046
PADEL_SubFP1	OCCC(C)CC(C)(C)C	C3452979
PADEL_SubFP1	OC(OCCCC)CC	C29387868
PADEL_SubFP1	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_SubFP1	ClC(Cl)(C)C	C594207
PADEL_SubFP1	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP1	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_SubFP1	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP1	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_SubFP1	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP1	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_SubFP1	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_SubFP1	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP1	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_SubFP1	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_SubFP1	OCn1nc(C)cc1C	C85264331
PADEL_SubFP1	OCCSCCCCCCCC	C3547339
PADEL_SubFP1	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP1	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_SubFP1	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_SubFP1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP1	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP1	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP1	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_SubFP1	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP1	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP1	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP1	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_SubFP1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP1	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP1	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_SubFP1	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP1	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP1	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP1	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_SubFP1	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP1	O=C1OC(CCCCC)CC1	C104610
PADEL_SubFP1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP1	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP1	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP1	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP1	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP1	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP1	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP1	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_SubFP1	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP1	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP1	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP1	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP1	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP1	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP1	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_SubFP1	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_SubFP1	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP1	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP1	OC(CCCCC)C=C	C3391864
PADEL_SubFP1	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_SubFP1	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_SubFP1	Cc1ccc(C)c2c1cccc2	C571584
PADEL_SubFP1	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP1	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP1	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_SubFP1	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_SubFP1	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP1	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP1	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_SubFP1	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_SubFP1	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_SubFP1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP1	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP1	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_SubFP1	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP1	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_SubFP1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP1	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP1	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_SubFP1	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_SubFP1	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_SubFP1	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_SubFP1	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_SubFP1	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP1	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_SubFP1	O=C(CC)OCC	C105373
PADEL_SubFP1	O=C(c1ccccc1O)C	C118934
PADEL_SubFP1	O=C1OCC(CC)O1	C4437858
PADEL_SubFP1	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP1	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_SubFP1	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP1	Nc1ccc(CCCCC)cc1	C33228443
PADEL_SubFP1	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_SubFP1	O=C(OCC)c1c(C)cccc1	C87241
PADEL_SubFP1	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_SubFP1	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_SubFP1	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP1	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_SubFP1	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP1	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP1	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_SubFP1	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP1	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_SubFP1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_SubFP1	CC(C)C1=CCC(=CC1)C	C99854
PADEL_SubFP1	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_SubFP1	CC1=CC=C(C(C)C)CC1	C99865
PADEL_SubFP1	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_SubFP1	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_SubFP1	CC(O)COCC	C1569024
PADEL_SubFP1	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_SubFP1	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_SubFP1	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP1	O=C1CCC(O1)CC	C695067
PADEL_SubFP1	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_SubFP1	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_SubFP1	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_SubFP1	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_SubFP1	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP1	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_SubFP1	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_SubFP1	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_SubFP1	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP1	OC(CCCC(C)C)(C)C	C13254347
PADEL_SubFP1	O=C/C=C/CCC	C6728263
PADEL_SubFP1	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_SubFP1	OC(CC(C)C)(C)C#C	C107540
PADEL_SubFP1	O=C(C)OCC/C=C\CC	C3681718
PADEL_SubFP1	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_SubFP1	CCC(c1ccccc1)CCC	C4468422
PADEL_SubFP1	O=CCC/C=C\CCCCC	C21662099
PADEL_SubFP1	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP1	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP1	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP1	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_SubFP1	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_SubFP1	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_SubFP1	O=C(CCC)OCCCCC	C540181
PADEL_SubFP1	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_SubFP1	O=C(C)OC(C)c1ccccc1	C93925
PADEL_SubFP1	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP1	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_SubFP1	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP1	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_SubFP1	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_SubFP1	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP1	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP1	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP1	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP1	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP1	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP1	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP1	OC1CC(C)(C)CC(C)C1	C116029
PADEL_SubFP1	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_SubFP1	OP(OCC)OCC	C762049
PADEL_SubFP1	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_SubFP1	OCCOCC(CC)CCCC	C1559359
PADEL_SubFP1	O=C(CC)CCCCC	C106683
PADEL_SubFP1	OCCN(CC)CCO	C139877
PADEL_SubFP1	CCOC(OCC)OCC	C122510
PADEL_SubFP1	CCO[Si](OCC)(OCC)CC	C78079
PADEL_SubFP1	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_SubFP1	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_SubFP1	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_SubFP1	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_SubFP1	O=C(CCC)OCCCCCCC	C5870939
PADEL_SubFP1	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_SubFP1	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_SubFP1	Oc1cc(C(C)C)ccc1C	C499752
PADEL_SubFP1	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_SubFP1	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_SubFP1	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP1	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_SubFP1	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_SubFP1	OC(C)C(=O)OCCCC	C138227
PADEL_SubFP1	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_SubFP1	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_SubFP1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_SubFP1	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_SubFP1	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_SubFP1	Oc1c(OCC)cccc1	C94713
PADEL_SubFP1	Oc1ccc(C(C)C)cc1	C99898
PADEL_SubFP1	COc1ccc(CCC)cc1	C104450
PADEL_SubFP1	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_SubFP1	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP1	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_SubFP1	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP1	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP1	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP1	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_SubFP1	CCO[Si](OCC)(C)OCC	C2031676
PADEL_SubFP1	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_SubFP1	CO[Si](OC)(CCC)OC	C1067250
PADEL_SubFP1	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_SubFP1	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP1	O=C(C)OCCCCCCCC	C112141
PADEL_SubFP1	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP1	Oc1c(C(C)C)cccc1	C88697
PADEL_SubFP1	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_SubFP1	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_SubFP1	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP1	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP1	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP1	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP1	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP1	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP1	Oc1cc(C(C)C)ccc1	C618451
PADEL_SubFP1	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP1	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP1	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP1	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_SubFP1	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_SubFP1	OCC(CCCC)CCCCCC	C3913028
PADEL_SubFP1	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP1	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_SubFP1	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_SubFP1	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_SubFP1	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_SubFP1	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP1	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP1	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP1	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP1	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_SubFP1	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_SubFP1	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_SubFP1	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_SubFP1	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_SubFP1	Oc1ccc(CCCC)cc1	C1638228
PADEL_SubFP1	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP1	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP1	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP1	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP1	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_SubFP1	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_SubFP1	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP1	OCCOCC(C)OCCO	C9003116
PADEL_SubFP1	O=C1OC(CCC)CC1	C105215
PADEL_SubFP1	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_SubFP1	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_SubFP1	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_SubFP1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP1	Nc1ccc(CCC)cc1	C2696846
PADEL_SubFP1	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_SubFP1	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP1	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_SubFP1	Sc1ccc(C)cc1	C106456
PADEL_SubFP1	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP1	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_SubFP1	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_SubFP1	Clc1ccc(CCCC)cc1	C15499271
PADEL_SubFP1	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_SubFP1	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_SubFP1	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_SubFP1	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_SubFP1	O=C1CCC(CCC)CC1	C40649363
PADEL_SubFP1	Nc1ccc(cc1)OCCCC	C4344552
PADEL_SubFP1	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_SubFP1	O=C(c1ccccc1)C(C)C	C611701
PADEL_SubFP1	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP1	OC1CCC(CCCC)CC1	C70568604
PADEL_SubFP1	Clc1ccc(CCCCC)cc1	C79098207
PADEL_SubFP1	O=C(OC)c1c(C)cccc1	C89714
PADEL_SubFP1	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_SubFP1	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_SubFP1	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP1	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP1	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP1	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_SubFP1	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_SubFP1	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_SubFP1	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP1	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP1	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP1	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP1	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP1	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_SubFP1	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP1	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP1	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP1	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP1	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP1	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_SubFP1	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP1	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP1	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_SubFP1	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP1	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_SubFP1	CSC(=NOC(=O)NC)C	C16752775
PADEL_SubFP1	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP1	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP1	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_SubFP1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP1	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP1	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_SubFP1	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP1	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_SubFP1	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP1	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_SubFP1	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP1	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP1	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP1	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP1	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_SubFP1	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP1	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP1	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP1	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP1	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP1	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_SubFP1	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP1	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP1	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP1	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP1	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP1	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_SubFP1	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_SubFP1	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP1	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP1	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_SubFP1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP1	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP1	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP1	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP1	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP1	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP1	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP1	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP1	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP1	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_SubFP1	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP1	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP1	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP1	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_SubFP1	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP1	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP1	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP1	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP1	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP1	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_SubFP1	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP1	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP1	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP1	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP1	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP1	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP1	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_SubFP1	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP1	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP1	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP1	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP1	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP1	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP1	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP1	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP1	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP1	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP1	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP1	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP1	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP1	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP1	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP1	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP1	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP1	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP1	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP1	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP1	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP1	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP1	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP1	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP1	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_SubFP1	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP1	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP1	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP1	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP1	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_SubFP1	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_SubFP1	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP1	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP1	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_SubFP1	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP1	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP1	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP1	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_SubFP1	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP1	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP1	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP1	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP1	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP1	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP1	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP1	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_SubFP1	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP1	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP1	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_SubFP1	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP1	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP1	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP1	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP1	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP1	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP1	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_SubFP1	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_SubFP1	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP1	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP1	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP1	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP1	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_SubFP1	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP1	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP1	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP1	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP1	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP1	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP1	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP1	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP1	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP1	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP1	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_SubFP1	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP1	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP1	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP1	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP1	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP1	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP1	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP1	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP1	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_SubFP1	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP1	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP1	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP1	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP1	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP1	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP1	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_SubFP1	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP1	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_SubFP1	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP1	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_SubFP1	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_SubFP1	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_SubFP1	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_SubFP1	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP1	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP1	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_SubFP1	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP1	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_SubFP1	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_SubFP1	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP1	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP1	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_SubFP1	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_SubFP1	Nc1cc(ccc1OC)C	C120718
PADEL_SubFP1	Nc1c(ccc(c1)N)C	C95807
PADEL_SubFP1	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP1	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_SubFP1	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP1	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_SubFP1	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP1	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP1	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_SubFP1	CCC(CCCC)CO	C104767
PADEL_SubFP1	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_SubFP1	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_SubFP1	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_SubFP1	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP1	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_SubFP1	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_SubFP1	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_SubFP1	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_SubFP1	Cc1c2c(ccc1)cccc2	C90120
PADEL_SubFP1	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP1	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP1	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP1	O=NN(CCCC)CCCC	C924163
PADEL_SubFP1	CCN(CC)N=O	C55185
PADEL_SubFP1	O=NN(CCC)CCC	C621647
PADEL_SubFP1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP1	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP1	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_SubFP1	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP1	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP1	CC(CO)O	C57556
PADEL_SubFP1	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP1	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP1	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_SubFP1	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP1	OC(=O)C=CC=CC	C110441
PADEL_SubFP1	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_SubFP1	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_SubFP1	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP1	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP1	Cc1c(ccc(c1)C)C	C95636
PADEL_SubFP1	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP1	NC(=O)OCC	C51796
PADEL_SubFP1	OC(=O)CCC	C107926
PADEL_SubFP1	CCCCOCCOCCO	C112345
PADEL_SubFP1	CCCCCCCCCC(=O)O	C334485
PADEL_SubFP1	CC(Cl)(Cl)C(=O)O	C75990
PADEL_SubFP1	O=C(O)CCCCCC	C111148
PADEL_SubFP1	CCCCCC(=O)O	C142621
PADEL_SubFP1	CCCCCCCCC(=O)O	C112050
PADEL_SubFP1	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_SubFP1	CCCCCCCC=O	C124130
PADEL_SubFP1	CCCCCCCC(=O)O	C124072
PADEL_SubFP1	CCCCC=O	C110623
PADEL_SubFP1	CCCCCCCCCCC	C1120214
PADEL_SubFP1	Oc1cc(C)c(Cl)cc1	C59507
PADEL_SubFP1	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP1	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_SubFP1	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_SubFP1	CCN(CC)c1ccccc1	C91667
PADEL_SubFP1	Oc1c(C)cccc1	C95487
PADEL_SubFP1	CCC(=NO)C	C96297
PADEL_SubFP1	c1ccccc1C(=O)C	C98862
PADEL_SubFP1	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP1	CN(C)c1ccc(C)cc1	C99978
PADEL_SubFP1	CCN(CCO)CC	C100378
PADEL_SubFP1	CCNc1cc(C)ccc1	C102272
PADEL_SubFP1	Oc1c(C)cc(C)cc1	C105679
PADEL_SubFP1	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_SubFP1	Oc1ccc(C)cc1	C106445
PADEL_SubFP1	Nc1ccc(C)cc1	C106490
PADEL_SubFP1	CC(=O)OCCOCC	C111159
PADEL_SubFP1	CCCCCCCCO	C111875
PADEL_SubFP1	CCOCCOCCO	C111900
PADEL_SubFP1	CCCCCCCCCCO	C112301
PADEL_SubFP1	CCCCCCCCCCCCCO	C112709
PADEL_SubFP1	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_SubFP1	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP1	Oc1c(C)cc(C)cc1C	C527606
PADEL_SubFP1	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP1	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP1	Oc1c(C)c(C)ccc1C	C2416946
PADEL_SubFP1	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_SubFP1	c1(c(O)cccc1)C(CC)C	C89725
PADEL_SubFP1	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_SubFP1	Oc1ccc(C=CC)cc1OC	C97541
PADEL_SubFP1	c1(CCCC)ccccc1	C104518
PADEL_SubFP1	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_SubFP1	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_SubFP1	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP1	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP1	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP1	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_SubFP1	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP1	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_SubFP1	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP1	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP1	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP1	C(=O)(O)C(CCC)CCC	C99661
PADEL_SubFP1	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP1	O=N(=O)c1ccc(C)cc1	C99990
PADEL_SubFP1	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP1	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_SubFP1	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP1	Cc1ccccc1Cl	C95498
PADEL_SubFP1	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP1	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_SubFP1	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_SubFP1	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_SubFP1	Oc1cc(C)c(C)cc1	C95658
PADEL_SubFP1	Oc1c(cccc1C)C	C576261
PADEL_SubFP1	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP1	CCOCCO	C110805
PADEL_SubFP1	CCCCOCCO	C111762
PADEL_SubFP1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP1	OCCOCCOCCOCC	C112505
PADEL_SubFP1	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP1	ON=CC(C)(C)SC	C1646759
PADEL_SubFP1	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP1	Oc1c(ccc(N)c1)C	C2835952
PADEL_SubFP1	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_SubFP1	Cc1ccc(Cl)cc1	C106434
PADEL_SubFP1	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_SubFP1	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_SubFP1	O(O)C(c1ccccc1)(C)C	C80159
PADEL_SubFP1	C(CCCCCCCC)C	C124185
PADEL_SubFP1	Nc1cc(C)ccc1N	C496720
PADEL_SubFP1	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_SubFP1	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP1	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_SubFP1	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_SubFP1	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_SubFP1	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP1	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP1	Oc1c(ccc(C)c1)C	C95874
PADEL_SubFP1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP1	N(c1ccccc1)CC	C103695
PADEL_SubFP1	O=C(O)C(CCCC)CC	C149575
PADEL_SubFP1	C(CC(C)C)OC(=O)C	C123922
PADEL_SubFP1	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_SubFP1	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP1	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_SubFP1	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP1	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP1	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP1	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP1	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_SubFP1	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_SubFP1	Nc1c(cccc1)C	C95534
PADEL_SubFP1	N(CCCC)(CCCC)CCCC	C102829
PADEL_SubFP1	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_SubFP1	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_SubFP1	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP1	Nc1c(cccc1C)C	C87627
PADEL_SubFP1	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_SubFP1	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_SubFP1	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_SubFP1	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_SubFP1	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_SubFP1	CC(C)c1ccc(C)cc1	C99876
PADEL_SubFP1	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_SubFP1	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_SubFP1	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_SubFP1	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_SubFP1	OCCC(C)CCC=C(C)C	C106229
PADEL_SubFP1	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_SubFP1	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_SubFP1	OCCC(O)C	C107880
PADEL_SubFP1	OC(CC(C)C)C	C108112
PADEL_SubFP1	Nc1cccc(C)c1	C108441
PADEL_SubFP1	Cc1cc(C)cc(C)c1	C108678
PADEL_SubFP1	O=C(OC)CCCCCCC	C111115
PADEL_SubFP1	O=C(OC)CCCCCCCCCCC	C111820
PADEL_SubFP1	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP1	OCCOCCCCCC	C112254
PADEL_SubFP1	OCCCCCCCCCCC	C112425
PADEL_SubFP1	OCCCCCCCCCCCC	C112538
PADEL_SubFP1	OCCCCCCCCCCCCCC	C112721
PADEL_SubFP1	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_SubFP1	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_SubFP1	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP1	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_SubFP1	CCCCCCCCCCCCCCCC	C544763
PADEL_SubFP1	Nc1c(CC)cccc1CC	C579668
PADEL_SubFP1	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP1	O=C(C)OCCCCC	C628637
PADEL_SubFP1	CCCCCCCCCCCCCCC	C629629
PADEL_SubFP1	OCCCCCCCCCCCCCCC	C629765
PADEL_SubFP1	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_SubFP1	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_SubFP1	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP1	Nc1cccc(C)c1N	C2687254
PADEL_SubFP1	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP1	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP1	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_SubFP1	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_SubFP1	OC(OC(O)CC)CC	C25265718
PADEL_SubFP1	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_SubFP1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_SubFP1	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_SubFP1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_SubFP1	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_SubFP1	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_SubFP1	OC(OCCCOC)CC	C34590948
PADEL_SubFP1	OCCCCCCCCCCCCCCCC	C36653824
PADEL_SubFP1	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_SubFP1	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_SubFP1	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_SubFP1	CCC12N(COC1)COC2	C7747355
PADEL_SubFP1	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_SubFP1	O=C(N)C(=C)C	C79390
PADEL_SubFP1	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_SubFP1	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP1	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_SubFP1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP1	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP1	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP1	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP1	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_SubFP1	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_SubFP1	O=C1CCC(O1)CCCCCCC	C104676
PADEL_SubFP1	Oc1cc(C)ccc1C(C)C	C89838
PADEL_SubFP1	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP1	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_SubFP1	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP1	CCCCCCCCN(C)C	C7378996
PADEL_SubFP1	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_SubFP1	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP1	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_SubFP1	O=C(OCC)CCC(=O)OCC	C123251
PADEL_SubFP1	O=C(CCC)OCC	C105544
PADEL_SubFP1	O=C(OCC)CCCCCC	C106309
PADEL_SubFP1	O=C(OCCCC)c1ccccc1	C136607
PADEL_SubFP1	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_SubFP1	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP1	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP1	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_SubFP1	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP1	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_SubFP1	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_SubFP1	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_SubFP1	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_SubFP1	O=C(CCC)OCCC(C)C	C106274
PADEL_SubFP1	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP1	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_SubFP1	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_SubFP1	CCCc1ccccc1	C103651
PADEL_SubFP1	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP1	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP1	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_SubFP1	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_SubFP1	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP1	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP1	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_SubFP1	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP1	CC(C)(C)c1ccccc1	C98066
PADEL_SubFP1	O=C(C)NC	C79163
PADEL_SubFP1	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP1	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP1	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP1	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP1	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP1	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP1	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP1	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP1	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP1	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP1	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP1	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP1	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP1	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP1	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP1	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP1	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP1	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_SubFP1	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP1	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_SubFP1	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP1	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_SubFP1	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP1	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP1	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP1	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP1	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP1	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP1	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP1	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP1	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP1	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP1	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP1	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP1	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP1	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP1	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP1	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP1	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP1	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP1	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP1	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP1	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP1	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP1	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_SubFP1	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_SubFP1	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP1	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_SubFP1	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_SubFP1	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP1	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP1	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP1	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP1	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP1	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP1	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP1	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP1	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP1	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_SubFP1	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_SubFP1	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP1	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_SubFP1	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_SubFP1	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_SubFP1	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_SubFP1	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_SubFP1	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_SubFP1	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_SubFP1	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_SubFP1	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_SubFP1	C=CCCCCCCCCCCCC	C1120361
PADEL_SubFP1	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP1	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_SubFP1	OC(C(CC)CCCC)C#C	C5877429
PADEL_SubFP1	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP1	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP1	C(=O)(C)O	C64197
PADEL_SubFP1	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP1	C(CO)C(C)C	C123513
PADEL_SubFP1	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP1	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP1	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP1	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_SubFP1	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP1	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_SubFP1	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP1	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP1	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP1	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP1	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP1	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP1	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP1	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_SubFP1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP1	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP1	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP1	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP1	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP1	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP1	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP1	OCCC(OC)C	C2517433
PADEL_SubFP1	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP1	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_SubFP1	O=CCC(C)CCC=C(C)C	C106230
PADEL_SubFP1	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP1	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP1	O=COCC	C109944
PADEL_SubFP1	O=C(OCC)c1ccccc1	C93890
PADEL_SubFP1	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_SubFP1	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_SubFP1	CCN(CC)CC	C121448
PADEL_SubFP1	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP1	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP1	CC(=O)OCC	C141786
PADEL_SubFP1	CC(=O)OCCCC	C123864
PADEL_SubFP1	CC(=O)CCC(C)C	C110123
PADEL_SubFP1	n1cc(C)ccc1	C108996
PADEL_SubFP1	CC(=O)CC(C)C	C108101
PADEL_SubFP1	CC(C)C=O	C78842
PADEL_SubFP1	CCCCCC=O	C66251
PADEL_SubFP1	CCCC=O	C123728
PADEL_SubFP1	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_SubFP1	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_SubFP1	CCC1CO1	C106887
PADEL_SubFP1	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_SubFP1	CC1CC(=O)O1	C3068880
PADEL_SubFP1	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP1	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_SubFP1	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_SubFP1	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP1	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_SubFP1	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_SubFP1	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_SubFP1	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP1	CC(c1ccc(CO)cc1)C	C536607
PADEL_SubFP1	CC(=O)C(=O)O	C127173
PADEL_SubFP1	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_SubFP1	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP1	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP1	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_SubFP1	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP1	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP1	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_SubFP1	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP1	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_SubFP1	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP1	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP1	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_SubFP1	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_SubFP1	O=CC=CC=CCCCCC	C25152845
PADEL_SubFP1	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP1	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_SubFP1	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_SubFP1	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP1	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_SubFP1	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP1	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_SubFP1	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP1	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_SubFP1	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_SubFP1	OCC=C(C)C	C556821
PADEL_SubFP1	ClC(=O)C(CC)CCCC	C760678
PADEL_SubFP1	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_SubFP1	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_SubFP1	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_SubFP1	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_SubFP1	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_SubFP1	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP1	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_SubFP1	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_SubFP1	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP1	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP1	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP1	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP1	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP1	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP1	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP1	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_SubFP1	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_SubFP1	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_SubFP1	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_SubFP1	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_SubFP1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_SubFP1	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP1	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP1	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP1	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_SubFP1	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_SubFP1	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_SubFP1	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP1	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP1	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP1	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_SubFP1	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_SubFP1	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP1	Br[Sn](CC)(CC)CC	C2767546
PADEL_SubFP1	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP1	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP1	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP1	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP1	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_SubFP1	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP1	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_SubFP1	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_SubFP1	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_SubFP1	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_SubFP1	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP1	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_SubFP1	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP1	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP1	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP1	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP1	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_SubFP1	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP1	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP1	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_SubFP1	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP1	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP1	N#CSCCCCCCCCCCCC	C765151
PADEL_SubFP1	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_SubFP1	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_SubFP1	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP1	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP1	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP1	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP1	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP1	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP1	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP1	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP1	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP1	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP1	CCCCCCCCCCCCN.Cl	C929737
PADEL_SubFP1	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP1	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP1	BrCCCCCCCCCCCC	C143157
PADEL_SubFP1	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_SubFP1	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_SubFP1	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP1	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP1	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_SubFP1	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_SubFP1	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP1	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_SubFP1	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_SubFP1	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP1	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_SubFP1	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_SubFP1	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_SubFP1	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_SubFP1	NCCCOCCCCCCCC	C15930662
PADEL_SubFP1	Nc1cccc(C)n1	C1824813
PADEL_SubFP1	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_SubFP1	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_SubFP1	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_SubFP1	CC1COc2ccccc2N1	C32329207
PADEL_SubFP1	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_SubFP1	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_SubFP1	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_SubFP1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP1	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP1	O=C/C=C/CCCCCCC	C3913813
PADEL_SubFP1	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_SubFP1	COC(OC)C(C)c1ccccc1	C90879
PADEL_SubFP1	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_SubFP1	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP1	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_SubFP1	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_SubFP1	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_SubFP1	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_SubFP1	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_SubFP1	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_SubFP1	CC/C=C\CCOC(OCC)C	C28069741
PADEL_SubFP1	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_SubFP1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP1	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_SubFP1	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP1	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_SubFP1	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP1	CCCCCCCCCC(C)C=O	C110418
PADEL_SubFP1	CCCCCc1ccco1	C3777693
PADEL_SubFP1	CCC(=O)C(=O)CC	C4437518
PADEL_SubFP1	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_SubFP1	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP2	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_SubFP2	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP2	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_SubFP2	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_SubFP2	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_SubFP2	O=C1CCCCC1	C108941
PADEL_SubFP2	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP2	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_SubFP2	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_SubFP2	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_SubFP2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP2	C=CCc1ccc(cc1)OC	C140670
PADEL_SubFP2	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP2	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_SubFP2	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP2	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP2	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_SubFP2	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_SubFP2	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_SubFP2	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP2	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_SubFP2	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_SubFP2	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_SubFP2	O=NN1CCCC1	C930552
PADEL_SubFP2	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP2	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP2	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_SubFP2	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_SubFP2	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP2	O=CCc1ccccc1	C122781
PADEL_SubFP2	OCCOCCOCCOCCCC	C143226
PADEL_SubFP2	CCCCCCCCCC=O	C112312
PADEL_SubFP2	CCCCCCCCCCCC(=O)O	C143077
PADEL_SubFP2	O=CCCCCCC	C111717
PADEL_SubFP2	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_SubFP2	CCCCCCCCC=O	C124196
PADEL_SubFP2	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_SubFP2	OC(=O)CCCC	C109524
PADEL_SubFP2	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_SubFP2	OCCC	C71238
PADEL_SubFP2	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP2	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_SubFP2	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_SubFP2	ON=C1CCCCC1	C100641
PADEL_SubFP2	Nc1ccc(CCCC)cc1	C104132
PADEL_SubFP2	CCOC(=O)CC(=O)OCC	C105533
PADEL_SubFP2	CC(O)CC(C)(C)O	C107415
PADEL_SubFP2	CCCC(=O)C	C107879
PADEL_SubFP2	C1CCCCC1O	C108930
PADEL_SubFP2	N#CCC#N	C109773
PADEL_SubFP2	CCCCCC(=O)C	C110430
PADEL_SubFP2	CCCCCCO	C111273
PADEL_SubFP2	CCCCCCCO	C111706
PADEL_SubFP2	CCCCCCCCCC(=O)C	C112129
PADEL_SubFP2	Oc1ccc(CC)cc1	C123079
PADEL_SubFP2	CCCCCC(=O)OCC	C123660
PADEL_SubFP2	CCCCCCCCCCCCN	C124221
PADEL_SubFP2	CCCCCCCCCO	C143088
PADEL_SubFP2	Oc1ccc(CCC)cc1	C645567
PADEL_SubFP2	CCCCCCC1OC(=O)CC1	C706149
PADEL_SubFP2	CC/C=C\CCO	C928961
PADEL_SubFP2	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_SubFP2	CCCCCCCCCCN	C2016571
PADEL_SubFP2	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_SubFP2	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_SubFP2	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_SubFP2	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_SubFP2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP2	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP2	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_SubFP2	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_SubFP2	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP2	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_SubFP2	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP2	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_SubFP2	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_SubFP2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP2	c1(c(CC)cccc1)O	C90006
PADEL_SubFP2	c1c(O)cccc1CC	C620177
PADEL_SubFP2	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_SubFP2	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_SubFP2	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP2	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP2	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_SubFP2	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP2	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP2	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP2	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP2	C(=O)(O)CCC(=O)O	C110156
PADEL_SubFP2	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_SubFP2	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP2	ON=CCCC	C110690
PADEL_SubFP2	OCCCCO	C110634
PADEL_SubFP2	O=C(OCCCC)C=C	C141322
PADEL_SubFP2	C(OCCCC)C1CO1	C2426086
PADEL_SubFP2	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_SubFP2	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_SubFP2	C(C(=O)C)C(C)(C)O	C123422
PADEL_SubFP2	C(CCN)CCCN	C124094
PADEL_SubFP2	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_SubFP2	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_SubFP2	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_SubFP2	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_SubFP2	O=C(CC(C)C)CC(C)C	C108838
PADEL_SubFP2	N(CCCN)(C)C	C109557
PADEL_SubFP2	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_SubFP2	C(CCCCCC)CCCCCS	C112550
PADEL_SubFP2	C(CC)(C=O)CCCC	C123057
PADEL_SubFP2	OCC(C(O)CCC)CC	C94962
PADEL_SubFP2	CCC(=CCCC)C=O	C645625
PADEL_SubFP2	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_SubFP2	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP2	CC=C1CC2C=CC1C2	C16219753
PADEL_SubFP2	O=CCCCC=O	C111308
PADEL_SubFP2	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_SubFP2	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_SubFP2	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_SubFP2	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_SubFP2	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_SubFP2	N#CC(CCC#N)C	C4553622
PADEL_SubFP2	C(CCCCCCC)C	C111842
PADEL_SubFP2	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_SubFP2	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP2	c12ccccc1CCCC2	C119642
PADEL_SubFP2	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP2	OCCc1ccccc1	C60128
PADEL_SubFP2	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_SubFP2	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_SubFP2	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_SubFP2	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_SubFP2	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_SubFP2	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_SubFP2	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_SubFP2	O=C(C)OCC(CC)CCCC	C103093
PADEL_SubFP2	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_SubFP2	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_SubFP2	O=C(OC)CCCCCCCCC	C110429
PADEL_SubFP2	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_SubFP2	N1CCCCCC1	C111499
PADEL_SubFP2	O=C(C)OCCOCCCC	C112072
PADEL_SubFP2	CCCCCCCCCCCCN(C)C	C112185
PADEL_SubFP2	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_SubFP2	OC(CCCCCC)C	C123966
PADEL_SubFP2	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP2	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_SubFP2	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP2	C1=CC=CC1	C542927
PADEL_SubFP2	CC1=CCC(=C(C)C)CC1	C586629
PADEL_SubFP2	O=C1NCCC1	C616455
PADEL_SubFP2	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_SubFP2	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_SubFP2	O=C(N(C)C)CCCCCCC	C1118929
PADEL_SubFP2	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_SubFP2	OCCOCCOCCOCCOCCCC	C1559348
PADEL_SubFP2	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_SubFP2	OC1CCCCCCCCCCC1	C1724396
PADEL_SubFP2	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_SubFP2	O=C(N(C)C)CC(=O)C	C2044646
PADEL_SubFP2	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_SubFP2	OCCOCCC	C2807309
PADEL_SubFP2	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP2	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_SubFP2	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_SubFP2	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_SubFP2	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_SubFP2	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_SubFP2	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_SubFP2	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_SubFP2	Nc1c(C)cccc1CC	C24549062
PADEL_SubFP2	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_SubFP2	SC(C)(C)CCCCCC	C25360105
PADEL_SubFP2	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_SubFP2	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_SubFP2	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP2	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_SubFP2	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_SubFP2	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_SubFP2	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_SubFP2	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_SubFP2	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_SubFP2	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_SubFP2	OC(CCCC(C)C)(C)CC	C78693
PADEL_SubFP2	OCC1OCCC1	C97994
PADEL_SubFP2	O=C1CCCC1	C120923
PADEL_SubFP2	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_SubFP2	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_SubFP2	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP2	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_SubFP2	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP2	OC(C)COCCC	C1569013
PADEL_SubFP2	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_SubFP2	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_SubFP2	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_SubFP2	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP2	OCC(CCC)CCCCC	C10042598
PADEL_SubFP2	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_SubFP2	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_SubFP2	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_SubFP2	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP2	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_SubFP2	CC(=C)C1CC=C(C)CC1	C138863
PADEL_SubFP2	OC1CC(CCC1C(C)C)C	C1490046
PADEL_SubFP2	OCCC(C)CC(C)(C)C	C3452979
PADEL_SubFP2	OC(OCCCC)CC	C29387868
PADEL_SubFP2	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_SubFP2	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_SubFP2	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP2	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP2	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_SubFP2	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP2	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_SubFP2	OCCSCCCCCCCC	C3547339
PADEL_SubFP2	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP2	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_SubFP2	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP2	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP2	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP2	OC1CCCC1	C96413
PADEL_SubFP2	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP2	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_SubFP2	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP2	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP2	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP2	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_SubFP2	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP2	O=C1OC(CCCCC)CC1	C104610
PADEL_SubFP2	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP2	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP2	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP2	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_SubFP2	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP2	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP2	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP2	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP2	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_SubFP2	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_SubFP2	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP2	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP2	OC(CCCCC)C=C	C3391864
PADEL_SubFP2	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_SubFP2	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP2	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP2	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_SubFP2	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_SubFP2	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP2	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP2	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_SubFP2	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_SubFP2	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_SubFP2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP2	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP2	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_SubFP2	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP2	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_SubFP2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP2	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_SubFP2	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_SubFP2	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_SubFP2	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_SubFP2	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_SubFP2	O=C(CC)OCC	C105373
PADEL_SubFP2	O=C1OCC(CC)O1	C4437858
PADEL_SubFP2	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP2	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_SubFP2	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP2	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_SubFP2	Nc1ccc(CCCCC)cc1	C33228443
PADEL_SubFP2	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_SubFP2	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_SubFP2	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_SubFP2	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_SubFP2	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP2	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_SubFP2	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_SubFP2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_SubFP2	CC(C)C1=CCC(=CC1)C	C99854
PADEL_SubFP2	CC1=CC=C(C(C)C)CC1	C99865
PADEL_SubFP2	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_SubFP2	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_SubFP2	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_SubFP2	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_SubFP2	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_SubFP2	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP2	O=C1CCC(O1)CC	C695067
PADEL_SubFP2	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_SubFP2	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_SubFP2	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_SubFP2	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP2	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_SubFP2	OC(CCCC(C)C)(C)C	C13254347
PADEL_SubFP2	O=C/C=C/CCC	C6728263
PADEL_SubFP2	O1C=CCCC1	C110872
PADEL_SubFP2	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_SubFP2	OC(CC(C)C)(C)C#C	C107540
PADEL_SubFP2	O=C(C)OCC/C=C\CC	C3681718
PADEL_SubFP2	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_SubFP2	CCC(c1ccccc1)CCC	C4468422
PADEL_SubFP2	O=CCC/C=C\CCCCC	C21662099
PADEL_SubFP2	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP2	NCCCN1CCOCC1	C123002
PADEL_SubFP2	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP2	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP2	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_SubFP2	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_SubFP2	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_SubFP2	O=C(CCC)OCCCCC	C540181
PADEL_SubFP2	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_SubFP2	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_SubFP2	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP2	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP2	OC1CC(C)(C)CC(C)C1	C116029
PADEL_SubFP2	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_SubFP2	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_SubFP2	c1(Cc2ccccc2)ccccc1	C101815
PADEL_SubFP2	OCCOCC(CC)CCCC	C1559359
PADEL_SubFP2	O=C(CC)CCCCC	C106683
PADEL_SubFP2	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_SubFP2	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_SubFP2	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_SubFP2	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_SubFP2	O=C(CCC)OCCCCCCC	C5870939
PADEL_SubFP2	c12ccccc1CC=C2	C95136
PADEL_SubFP2	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_SubFP2	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_SubFP2	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_SubFP2	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_SubFP2	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP2	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_SubFP2	OC(C)C(=O)OCCCC	C138227
PADEL_SubFP2	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_SubFP2	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_SubFP2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_SubFP2	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_SubFP2	COc1ccc(CCC)cc1	C104450
PADEL_SubFP2	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_SubFP2	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP2	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_SubFP2	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP2	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP2	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_SubFP2	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_SubFP2	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_SubFP2	CO[Si](OC)(CCC)OC	C1067250
PADEL_SubFP2	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_SubFP2	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP2	O=C(C)OCCCCCCCC	C112141
PADEL_SubFP2	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP2	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_SubFP2	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_SubFP2	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP2	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP2	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP2	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP2	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_SubFP2	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_SubFP2	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_SubFP2	OCC(CCCC)CCCCCC	C3913028
PADEL_SubFP2	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_SubFP2	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_SubFP2	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_SubFP2	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP2	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP2	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP2	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP2	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_SubFP2	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_SubFP2	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_SubFP2	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_SubFP2	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_SubFP2	Oc1ccc(CCCC)cc1	C1638228
PADEL_SubFP2	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP2	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP2	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_SubFP2	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP2	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_SubFP2	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_SubFP2	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_SubFP2	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP2	O=C1OC(CCC)CC1	C105215
PADEL_SubFP2	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_SubFP2	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_SubFP2	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_SubFP2	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP2	Nc1ccc(CCC)cc1	C2696846
PADEL_SubFP2	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_SubFP2	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_SubFP2	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP2	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_SubFP2	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP2	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_SubFP2	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP2	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_SubFP2	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_SubFP2	Clc1ccc(CCCC)cc1	C15499271
PADEL_SubFP2	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_SubFP2	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_SubFP2	O=C1CCC(CCC)CC1	C40649363
PADEL_SubFP2	Nc1ccc(cc1)OCCCC	C4344552
PADEL_SubFP2	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_SubFP2	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP2	OC1CCC(CCCC)CC1	C70568604
PADEL_SubFP2	Clc1ccc(CCCCC)cc1	C79098207
PADEL_SubFP2	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_SubFP2	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_SubFP2	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_SubFP2	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_SubFP2	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_SubFP2	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP2	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP2	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_SubFP2	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP2	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP2	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP2	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_SubFP2	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP2	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_SubFP2	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_SubFP2	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_SubFP2	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_SubFP2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP2	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP2	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP2	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_SubFP2	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP2	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP2	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP2	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP2	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP2	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP2	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP2	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP2	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP2	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_SubFP2	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP2	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP2	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP2	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_SubFP2	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP2	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_SubFP2	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP2	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP2	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP2	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP2	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP2	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP2	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP2	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP2	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP2	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP2	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP2	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP2	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP2	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP2	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP2	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP2	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_SubFP2	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP2	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP2	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_SubFP2	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP2	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP2	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP2	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP2	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP2	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP2	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_SubFP2	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP2	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP2	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP2	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP2	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_SubFP2	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_SubFP2	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP2	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP2	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP2	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP2	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP2	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_SubFP2	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP2	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP2	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP2	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP2	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP2	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_SubFP2	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP2	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP2	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP2	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_SubFP2	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_SubFP2	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP2	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_SubFP2	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP2	O=C1CCCO1	C96480
PADEL_SubFP2	O=C1CCCCCN1	C105602
PADEL_SubFP2	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP2	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_SubFP2	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_SubFP2	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP2	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_SubFP2	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP2	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP2	O1C2C1CCC(C2)C1CO1	C106876
PADEL_SubFP2	CCC(CCCC)CO	C104767
PADEL_SubFP2	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_SubFP2	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_SubFP2	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_SubFP2	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_SubFP2	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP2	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_SubFP2	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_SubFP2	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP2	O=C1N(CCC1)C	C872504
PADEL_SubFP2	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_SubFP2	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_SubFP2	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_SubFP2	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_SubFP2	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP2	O=NN(CCCC)CCCC	C924163
PADEL_SubFP2	O=NN(CCC)CCC	C621647
PADEL_SubFP2	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP2	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP2	O=S1(=O)CCCO1	C1120714
PADEL_SubFP2	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP2	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP2	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP2	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP2	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_SubFP2	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_SubFP2	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_SubFP2	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP2	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP2	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP2	O=C1N(C=C)CCC1	C88120
PADEL_SubFP2	OC(=O)CCC	C107926
PADEL_SubFP2	CCCCOCCOCCO	C112345
PADEL_SubFP2	CCCCCCCCCC(=O)O	C334485
PADEL_SubFP2	O=C(O)CCCCCC	C111148
PADEL_SubFP2	OC(=O)CCCCC(=O)O	C124049
PADEL_SubFP2	CCCCCC(=O)O	C142621
PADEL_SubFP2	CCCCCCCCC(=O)O	C112050
PADEL_SubFP2	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_SubFP2	CCCCCCCC=O	C124130
PADEL_SubFP2	CCCCCCCC(=O)O	C124072
PADEL_SubFP2	CCCCC=O	C110623
PADEL_SubFP2	CCCCCCCCCCC	C1120214
PADEL_SubFP2	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_SubFP2	c1ccc2cccc3c2c1CC3	C83329
PADEL_SubFP2	CCC(=NO)C	C96297
PADEL_SubFP2	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_SubFP2	N#CCCCCC#N	C111693
PADEL_SubFP2	CCCCCCCCO	C111875
PADEL_SubFP2	CCCCCCCCCCO	C112301
PADEL_SubFP2	CCCCCCCCCCCCCO	C112709
PADEL_SubFP2	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_SubFP2	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP2	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_SubFP2	c1(c(O)cccc1)C(CC)C	C89725
PADEL_SubFP2	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_SubFP2	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_SubFP2	c1(CCCC)ccccc1	C104518
PADEL_SubFP2	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP2	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_SubFP2	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_SubFP2	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP2	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP2	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP2	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP2	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_SubFP2	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_SubFP2	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP2	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP2	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP2	C(=O)(O)C(CCC)CCC	C99661
PADEL_SubFP2	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP2	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_SubFP2	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_SubFP2	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP2	NC1CCCCC1	C108918
PADEL_SubFP2	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_SubFP2	CCCCOCCO	C111762
PADEL_SubFP2	c1cccc2Cc3ccccc3c12	C86737
PADEL_SubFP2	O=C=NCCCCCCN=C=O	C822060
PADEL_SubFP2	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP2	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP2	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_SubFP2	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_SubFP2	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_SubFP2	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_SubFP2	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP2	C(CCCCCCCC)C	C124185
PADEL_SubFP2	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_SubFP2	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_SubFP2	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_SubFP2	COC(=O)CCCC(=O)OC	C1119400
PADEL_SubFP2	C(=O)(OC)CCC(=O)OC	C106650
PADEL_SubFP2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP2	O=C(O)C(CCCC)CC	C149575
PADEL_SubFP2	C(CC(C)C)OC(=O)C	C123922
PADEL_SubFP2	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_SubFP2	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_SubFP2	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP2	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP2	N(CCCC)(CCCC)CCCC	C102829
PADEL_SubFP2	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_SubFP2	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_SubFP2	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_SubFP2	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_SubFP2	OCCC(C)CCC=C(C)C	C106229
PADEL_SubFP2	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_SubFP2	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_SubFP2	OCCC(O)C	C107880
PADEL_SubFP2	OC(CC(C)C)C	C108112
PADEL_SubFP2	O=C(OC)CCCCCCC	C111115
PADEL_SubFP2	O=C(OC)CCCCCCCCCCC	C111820
PADEL_SubFP2	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP2	OCCOCCCCCC	C112254
PADEL_SubFP2	OCCCCCCCCCCC	C112425
PADEL_SubFP2	OCCCCCCCCCCCC	C112538
PADEL_SubFP2	OCCCCCCCCCCCCCC	C112721
PADEL_SubFP2	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_SubFP2	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_SubFP2	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP2	CCCCCCCCCCCCCCCC	C544763
PADEL_SubFP2	Nc1c(CC)cccc1CC	C579668
PADEL_SubFP2	O=C(C)OCCCCC	C628637
PADEL_SubFP2	CCCCCCCCCCCCCCC	C629629
PADEL_SubFP2	OCCCCCCCCCCCCCCC	C629765
PADEL_SubFP2	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_SubFP2	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_SubFP2	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP2	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP2	C1=CCCC=CCCC=CCC1	C4904614
PADEL_SubFP2	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_SubFP2	O=C(O)C(O)CC(=O)O	C6915157
PADEL_SubFP2	OC(OC(O)CC)CC	C25265718
PADEL_SubFP2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_SubFP2	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_SubFP2	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_SubFP2	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_SubFP2	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_SubFP2	OC(OCCCOC)CC	C34590948
PADEL_SubFP2	OCCCCCCCCCCCCCCCC	C36653824
PADEL_SubFP2	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_SubFP2	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_SubFP2	O=C(OC)CC(=O)OC	C108598
PADEL_SubFP2	CCC12N(COC1)COC2	C7747355
PADEL_SubFP2	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_SubFP2	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_SubFP2	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP2	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP2	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP2	O=C1CCC(O1)CCCCCCC	C104676
PADEL_SubFP2	O=C(O)CCCCCCCCC=C	C112389
PADEL_SubFP2	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_SubFP2	CCCCCCCCN(C)C	C7378996
PADEL_SubFP2	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_SubFP2	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP2	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP2	O=C(OCC)CCC(=O)OCC	C123251
PADEL_SubFP2	O=C(CCC)OCC	C105544
PADEL_SubFP2	O=C(OCC)CCCCCC	C106309
PADEL_SubFP2	O=C(OCCCC)c1ccccc1	C136607
PADEL_SubFP2	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_SubFP2	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP2	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP2	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP2	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_SubFP2	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_SubFP2	O=C(CCC)OCCC(C)C	C106274
PADEL_SubFP2	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_SubFP2	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_SubFP2	CCCc1ccccc1	C103651
PADEL_SubFP2	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP2	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP2	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_SubFP2	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP2	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP2	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_SubFP2	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_SubFP2	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_SubFP2	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP2	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP2	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_SubFP2	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP2	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP2	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_SubFP2	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP2	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_SubFP2	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP2	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP2	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_SubFP2	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP2	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP2	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP2	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP2	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP2	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP2	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP2	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP2	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_SubFP2	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP2	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_SubFP2	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_SubFP2	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP2	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP2	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP2	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP2	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_SubFP2	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP2	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_SubFP2	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP2	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP2	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP2	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP2	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_SubFP2	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP2	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP2	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP2	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP2	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP2	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP2	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP2	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP2	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP2	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP2	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP2	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP2	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP2	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_SubFP2	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP2	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP2	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_SubFP2	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP2	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP2	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_SubFP2	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_SubFP2	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP2	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_SubFP2	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP2	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_SubFP2	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP2	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_SubFP2	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_SubFP2	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP2	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP2	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP2	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP2	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP2	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP2	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP2	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP2	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP2	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP2	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP2	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP2	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP2	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_SubFP2	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_SubFP2	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_SubFP2	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP2	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_SubFP2	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_SubFP2	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_SubFP2	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_SubFP2	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_SubFP2	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_SubFP2	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_SubFP2	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_SubFP2	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_SubFP2	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_SubFP2	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_SubFP2	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP2	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_SubFP2	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_SubFP2	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_SubFP2	C=CCCCCCCCCCCCC	C1120361
PADEL_SubFP2	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP2	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_SubFP2	OC(C(CC)CCCC)C#C	C5877429
PADEL_SubFP2	OCCCBr	C627189
PADEL_SubFP2	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP2	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP2	C(CO)C(C)C	C123513
PADEL_SubFP2	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP2	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP2	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP2	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_SubFP2	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP2	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP2	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP2	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_SubFP2	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP2	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP2	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP2	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP2	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP2	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_SubFP2	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP2	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP2	OCCC(OC)C	C2517433
PADEL_SubFP2	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP2	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_SubFP2	O=CCC(C)CCC=C(C)C	C106230
PADEL_SubFP2	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP2	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_SubFP2	O=CCCSC	C3268493
PADEL_SubFP2	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_SubFP2	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP2	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP2	CC(=O)OCCCC	C123864
PADEL_SubFP2	CC(=O)CCC(C)C	C110123
PADEL_SubFP2	CC(=O)CC(C)C	C108101
PADEL_SubFP2	CCCCCC=O	C66251
PADEL_SubFP2	CCCC=O	C123728
PADEL_SubFP2	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_SubFP2	CCC1CO1	C106887
PADEL_SubFP2	CC1CC(=O)O1	C3068880
PADEL_SubFP2	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP2	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_SubFP2	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_SubFP2	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP2	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_SubFP2	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_SubFP2	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP2	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_SubFP2	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_SubFP2	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP2	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP2	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP2	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP2	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP2	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_SubFP2	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_SubFP2	O=CC=CC=CCCCCC	C25152845
PADEL_SubFP2	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_SubFP2	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_SubFP2	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_SubFP2	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP2	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_SubFP2	ClC(=O)C(CC)CCCC	C760678
PADEL_SubFP2	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_SubFP2	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_SubFP2	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_SubFP2	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP2	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_SubFP2	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP2	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP2	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP2	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP2	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP2	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_SubFP2	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP2	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP2	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP2	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_SubFP2	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_SubFP2	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_SubFP2	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_SubFP2	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_SubFP2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_SubFP2	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP2	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_SubFP2	O=CCCCCCCCCC=C	C112458
PADEL_SubFP2	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP2	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP2	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP2	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_SubFP2	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP2	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP2	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_SubFP2	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP2	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP2	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_SubFP2	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_SubFP2	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP2	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP2	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP2	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP2	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_SubFP2	N#CSCCCCCCCCCCCC	C765151
PADEL_SubFP2	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_SubFP2	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP2	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_SubFP2	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP2	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP2	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP2	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP2	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_SubFP2	O=CN1CCCCC1	C2591868
PADEL_SubFP2	O=C(O)CCSCCC(=O)O	C111171
PADEL_SubFP2	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP2	CCCCCCCCCCCCN.Cl	C929737
PADEL_SubFP2	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP2	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP2	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_SubFP2	BrCCCCCCCCCCCC	C143157
PADEL_SubFP2	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_SubFP2	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_SubFP2	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_SubFP2	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_SubFP2	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP2	O=C(OC)CCCC(=O)O	C1501275
PADEL_SubFP2	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_SubFP2	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_SubFP2	O=C(OCCCCO)C=C	C2478106
PADEL_SubFP2	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP2	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_SubFP2	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_SubFP2	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP2	NCCCOCCCCCCCC	C15930662
PADEL_SubFP2	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_SubFP2	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_SubFP2	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_SubFP2	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_SubFP2	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_SubFP2	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_SubFP2	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_SubFP2	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_SubFP2	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_SubFP2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP2	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_SubFP2	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_SubFP2	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP2	O=C/C=C/CCCCCCC	C3913813
PADEL_SubFP2	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_SubFP2	SC1CCCC1	C1679078
PADEL_SubFP2	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_SubFP2	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP2	S=C=NCCCSC	C505793
PADEL_SubFP2	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP2	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_SubFP2	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_SubFP2	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_SubFP2	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_SubFP2	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_SubFP2	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_SubFP2	CC/C=C\CCOC(OCC)C	C28069741
PADEL_SubFP2	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_SubFP2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP2	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP2	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_SubFP2	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_SubFP2	CCCCCCCCCC(C)C=O	C110418
PADEL_SubFP2	CCCCCc1ccco1	C3777693
PADEL_SubFP2	CCC(=O)C(=O)CC	C4437518
PADEL_SubFP2	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP3	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_SubFP3	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP3	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_SubFP3	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP3	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_SubFP3	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_SubFP3	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP3	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP3	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_SubFP3	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP3	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP3	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_SubFP3	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_SubFP3	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP3	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_SubFP3	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP3	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_SubFP3	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_SubFP3	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_SubFP3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP3	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP3	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_SubFP3	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP3	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_SubFP3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP3	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP3	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP3	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP3	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_SubFP3	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_SubFP3	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP3	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_SubFP3	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_SubFP3	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_SubFP3	O=C(CC(C)C)CC(C)C	C108838
PADEL_SubFP3	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_SubFP3	C(CC)(C=O)CCCC	C123057
PADEL_SubFP3	OCC(C(O)CCC)CC	C94962
PADEL_SubFP3	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_SubFP3	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP3	CC=C1CC2C=CC1C2	C16219753
PADEL_SubFP3	N#CC(CCC#N)C	C4553622
PADEL_SubFP3	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP3	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP3	N#CC(C)C	C78820
PADEL_SubFP3	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_SubFP3	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_SubFP3	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_SubFP3	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_SubFP3	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_SubFP3	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_SubFP3	O=C(C)OCC(CC)CCCC	C103093
PADEL_SubFP3	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_SubFP3	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP3	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_SubFP3	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_SubFP3	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP3	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_SubFP3	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_SubFP3	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP3	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_SubFP3	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_SubFP3	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_SubFP3	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_SubFP3	OC(CCCC(C)C)(C)CC	C78693
PADEL_SubFP3	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_SubFP3	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP3	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP3	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_SubFP3	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_SubFP3	OCC(CCC)CCCCC	C10042598
PADEL_SubFP3	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_SubFP3	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_SubFP3	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP3	CC(=C)C1CC=C(C)CC1	C138863
PADEL_SubFP3	OC1CC(CCC1C(C)C)C	C1490046
PADEL_SubFP3	OCCC(C)CC(C)(C)C	C3452979
PADEL_SubFP3	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_SubFP3	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_SubFP3	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_SubFP3	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_SubFP3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP3	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP3	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP3	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP3	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP3	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP3	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP3	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP3	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP3	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP3	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP3	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_SubFP3	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_SubFP3	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_SubFP3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP3	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP3	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_SubFP3	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP3	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_SubFP3	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP3	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP3	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_SubFP3	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_SubFP3	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_SubFP3	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP3	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_SubFP3	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_SubFP3	CC(C)C1=CCC(=CC1)C	C99854
PADEL_SubFP3	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_SubFP3	CC1=CC=C(C(C)C)CC1	C99865
PADEL_SubFP3	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_SubFP3	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_SubFP3	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_SubFP3	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_SubFP3	OC(CCCC(C)C)(C)C	C13254347
PADEL_SubFP3	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_SubFP3	OC(CC(C)C)(C)C#C	C107540
PADEL_SubFP3	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_SubFP3	CCC(c1ccccc1)CCC	C4468422
PADEL_SubFP3	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP3	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP3	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_SubFP3	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_SubFP3	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_SubFP3	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP3	OC1CC(C)(C)CC(C)C1	C116029
PADEL_SubFP3	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_SubFP3	OCCOCC(CC)CCCC	C1559359
PADEL_SubFP3	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_SubFP3	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_SubFP3	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_SubFP3	Oc1cc(C(C)C)ccc1C	C499752
PADEL_SubFP3	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_SubFP3	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_SubFP3	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_SubFP3	Oc1ccc(C(C)C)cc1	C99898
PADEL_SubFP3	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP3	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP3	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP3	Oc1c(C(C)C)cccc1	C88697
PADEL_SubFP3	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_SubFP3	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP3	Oc1cc(C(C)C)ccc1	C618451
PADEL_SubFP3	OCC(CCCC)CCCCCC	C3913028
PADEL_SubFP3	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_SubFP3	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP3	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP3	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_SubFP3	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_SubFP3	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_SubFP3	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_SubFP3	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_SubFP3	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP3	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP3	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_SubFP3	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_SubFP3	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_SubFP3	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP3	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_SubFP3	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_SubFP3	O=C1CCC(CCC)CC1	C40649363
PADEL_SubFP3	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_SubFP3	O=C(c1ccccc1)C(C)C	C611701
PADEL_SubFP3	OC1CCC(CCCC)CC1	C70568604
PADEL_SubFP3	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP3	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_SubFP3	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_SubFP3	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP3	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_SubFP3	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_SubFP3	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP3	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP3	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP3	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_SubFP3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP3	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_SubFP3	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP3	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP3	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP3	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP3	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP3	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_SubFP3	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_SubFP3	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP3	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP3	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP3	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP3	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_SubFP3	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP3	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP3	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP3	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP3	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_SubFP3	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP3	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP3	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_SubFP3	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP3	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP3	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP3	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP3	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_SubFP3	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP3	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP3	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP3	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP3	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP3	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP3	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_SubFP3	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP3	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_SubFP3	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_SubFP3	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_SubFP3	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_SubFP3	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP3	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP3	O1C2C1CCC(C2)C1CO1	C106876
PADEL_SubFP3	CCC(CCCC)CO	C104767
PADEL_SubFP3	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_SubFP3	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_SubFP3	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_SubFP3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP3	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP3	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP3	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP3	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP3	c1(c(O)cccc1)C(CC)C	C89725
PADEL_SubFP3	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_SubFP3	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_SubFP3	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP3	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_SubFP3	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP3	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP3	C(=O)(O)C(CCC)CCC	C99661
PADEL_SubFP3	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP3	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_SubFP3	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_SubFP3	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP3	O=C(O)C(CCCC)CC	C149575
PADEL_SubFP3	C(CC(C)C)OC(=O)C	C123922
PADEL_SubFP3	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_SubFP3	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_SubFP3	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_SubFP3	CC(C)c1ccc(C)cc1	C99876
PADEL_SubFP3	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_SubFP3	OCCC(C)CCC=C(C)C	C106229
PADEL_SubFP3	OC(CC(C)C)C	C108112
PADEL_SubFP3	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_SubFP3	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP3	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_SubFP3	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_SubFP3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_SubFP3	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_SubFP3	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_SubFP3	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_SubFP3	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_SubFP3	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_SubFP3	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_SubFP3	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP3	Oc1cc(C)ccc1C(C)C	C89838
PADEL_SubFP3	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_SubFP3	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP3	O=C(CCC)OCCC(C)C	C106274
PADEL_SubFP3	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_SubFP3	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP3	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP3	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP3	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP3	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP3	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP3	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_SubFP3	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP3	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_SubFP3	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_SubFP3	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP3	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP3	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_SubFP3	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP3	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_SubFP3	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP3	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_SubFP3	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP3	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP3	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP3	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP3	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP3	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP3	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP3	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_SubFP3	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_SubFP3	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP3	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP3	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP3	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP3	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP3	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP3	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP3	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP3	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_SubFP3	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_SubFP3	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP3	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_SubFP3	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_SubFP3	OC(C(CC)CCCC)C#C	C5877429
PADEL_SubFP3	C(CO)C(C)C	C123513
PADEL_SubFP3	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP3	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP3	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP3	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_SubFP3	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP3	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP3	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP3	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP3	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_SubFP3	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP3	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_SubFP3	O=CCC(C)CCC=C(C)C	C106230
PADEL_SubFP3	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP3	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_SubFP3	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP3	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP3	CC(=O)CCC(C)C	C110123
PADEL_SubFP3	CC(=O)CC(C)C	C108101
PADEL_SubFP3	CC(C)C=O	C78842
PADEL_SubFP3	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_SubFP3	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP3	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_SubFP3	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_SubFP3	CC(c1ccc(CO)cc1)C	C536607
PADEL_SubFP3	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP3	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP3	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_SubFP3	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_SubFP3	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP3	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_SubFP3	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP3	ClC(=O)C(CC)CCCC	C760678
PADEL_SubFP3	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_SubFP3	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP3	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP3	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP3	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP3	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP3	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_SubFP3	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_SubFP3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_SubFP3	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP3	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP3	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP3	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP3	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_SubFP3	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_SubFP3	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_SubFP3	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP3	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP3	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_SubFP3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP3	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_SubFP3	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_SubFP3	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_SubFP3	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_SubFP3	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_SubFP3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP3	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP3	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_SubFP3	COC(OC)C(C)c1ccccc1	C90879
PADEL_SubFP3	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_SubFP3	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_SubFP3	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_SubFP3	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_SubFP3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP3	CCCCCCCCCC(C)C=O	C110418
PADEL_SubFP3	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP4	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_SubFP4	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_SubFP4	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_SubFP4	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_SubFP4	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP4	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_SubFP4	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP4	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP4	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP4	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP4	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_SubFP4	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_SubFP4	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP4	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_SubFP4	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_SubFP4	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_SubFP4	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_SubFP4	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_SubFP4	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP4	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP4	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP4	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP4	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP4	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_SubFP4	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_SubFP4	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_SubFP4	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP4	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_SubFP4	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP4	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP4	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP4	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP4	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_SubFP4	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP4	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP4	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_SubFP4	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_SubFP4	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_SubFP4	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_SubFP4	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP4	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_SubFP4	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_SubFP4	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_SubFP4	OCC(CO)(CO)CO	C115775
PADEL_SubFP4	OCC(C)(C)CO	C126307
PADEL_SubFP4	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_SubFP4	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_SubFP4	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_SubFP4	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP4	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_SubFP4	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_SubFP4	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP4	OCCC(C)CC(C)(C)C	C3452979
PADEL_SubFP4	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP4	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP4	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP4	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP4	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP4	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP4	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP4	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP4	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP4	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP4	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP4	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_SubFP4	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP4	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP4	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP4	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_SubFP4	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_SubFP4	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_SubFP4	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP4	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_SubFP4	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP4	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_SubFP4	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_SubFP4	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_SubFP4	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP4	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_SubFP4	OC1CC(C)(C)CC(C)C1	C116029
PADEL_SubFP4	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_SubFP4	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_SubFP4	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_SubFP4	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP4	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP4	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_SubFP4	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP4	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_SubFP4	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP4	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_SubFP4	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP4	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP4	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_SubFP4	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP4	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_SubFP4	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_SubFP4	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_SubFP4	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_SubFP4	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_SubFP4	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP4	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP4	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP4	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP4	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP4	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP4	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP4	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP4	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP4	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP4	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_SubFP4	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP4	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP4	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP4	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_SubFP4	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP4	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP4	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP4	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP4	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP4	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP4	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP4	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_SubFP4	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP4	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP4	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_SubFP4	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP4	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_SubFP4	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP4	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP4	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP4	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP4	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP4	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP4	OCC(CO)(CBr)CBr	C3296900
PADEL_SubFP4	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_SubFP4	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_SubFP4	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP4	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_SubFP4	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP4	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP4	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_SubFP4	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_SubFP4	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_SubFP4	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_SubFP4	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP4	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_SubFP4	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_SubFP4	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_SubFP4	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_SubFP4	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_SubFP4	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_SubFP4	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP4	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_SubFP4	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP4	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_SubFP4	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_SubFP4	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP4	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_SubFP4	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_SubFP4	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP4	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_SubFP4	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_SubFP4	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_SubFP4	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_SubFP4	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_SubFP4	CC(C)(C)c1ccccc1	C98066
PADEL_SubFP4	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP4	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP4	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP4	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP4	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP4	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_SubFP4	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP4	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP4	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_SubFP4	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP4	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP4	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP4	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP4	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP4	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP4	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP4	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_SubFP4	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_SubFP4	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP4	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP4	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_SubFP4	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_SubFP4	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP4	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP4	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP4	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP4	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_SubFP4	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_SubFP4	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_SubFP4	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP4	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_SubFP4	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_SubFP4	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP4	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP4	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP4	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_SubFP4	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_SubFP4	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_SubFP4	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_SubFP4	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP4	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_SubFP4	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_SubFP4	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP4	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_SubFP4	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_SubFP4	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP4	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_SubFP4	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP4	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_SubFP4	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_SubFP4	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_SubFP4	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_SubFP4	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_SubFP4	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_SubFP4	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_SubFP4	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_SubFP4	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_SubFP4	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_SubFP4	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP6	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP6	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP6	C(O)C#CCO	C110656
PADEL_SubFP6	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP6	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP6	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP6	OC(CC(C)C)(C)C#C	C107540
PADEL_SubFP6	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_SubFP6	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_SubFP6	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP6	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP6	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP6	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP6	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_SubFP6	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP6	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP6	OC(C(CC)CCCC)C#C	C5877429
PADEL_SubFP6	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_SubFP6	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP6	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP6	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP6	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP8	O=CCCl	C107200
PADEL_SubFP8	ClCOC	C107302
PADEL_SubFP8	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_SubFP8	OC(CO)CCl	C96242
PADEL_SubFP8	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_SubFP8	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_SubFP8	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_SubFP8	ClCC(Cl)CCl	C96184
PADEL_SubFP8	C=CC(Cl)CCl	C760236
PADEL_SubFP8	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_SubFP8	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_SubFP8	ClCCOP(OCCCl)OCCCl	C140089
PADEL_SubFP8	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP8	O=C(CCl)[O-].[Na+]	C3926623
PADEL_SubFP8	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_SubFP8	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_SubFP8	ClC(Cl)(C)C	C594207
PADEL_SubFP8	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_SubFP8	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_SubFP8	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_SubFP8	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP8	O=C(Nc1ccccc1)CCl	C587655
PADEL_SubFP8	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_SubFP8	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_SubFP8	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_SubFP8	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_SubFP8	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_SubFP8	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_SubFP8	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_SubFP8	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_SubFP8	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_SubFP8	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_SubFP8	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_SubFP8	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_SubFP8	ClCCP(=O)(O)O	C16672870
PADEL_SubFP8	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP8	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP8	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP8	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP8	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP8	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP8	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP8	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_SubFP8	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_SubFP8	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_SubFP8	ClCCOCCCl	C111444
PADEL_SubFP8	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_SubFP8	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_SubFP8	O=C(c1ccccc1)CCl	C532274
PADEL_SubFP8	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_SubFP8	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_SubFP8	OC(=O)C(Cl)Cl	C79436
PADEL_SubFP8	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP8	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP8	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_SubFP8	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_SubFP8	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_SubFP8	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_SubFP8	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP8	CC(Cl)(Cl)C(=O)O	C75990
PADEL_SubFP8	ClCCO	C107073
PADEL_SubFP8	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_SubFP8	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP8	OC(CCl)CCl	C96231
PADEL_SubFP8	c1(ccccc1)C(Cl)Cl	C98873
PADEL_SubFP8	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP8	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_SubFP8	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_SubFP8	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP8	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP8	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_SubFP8	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_SubFP8	O=C(CCl)CCl	C534076
PADEL_SubFP8	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_SubFP8	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP8	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP8	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_SubFP8	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_SubFP8	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP8	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP8	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_SubFP8	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP9	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP9	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP9	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP9	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP9	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP9	[Na+].[O-]C(=O)CF	C62748
PADEL_SubFP9	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_SubFP9	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_SubFP9	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP9	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP9	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP9	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP9	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP9	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_SubFP9	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP9	O=C(CF)O	C144490
PADEL_SubFP9	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP9	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP9	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP9	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP9	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP9	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP9	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_SubFP9	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP9	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP9	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_SubFP9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_SubFP9	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP9	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP9	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP9	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP9	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP9	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP9	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP9	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP9	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP9	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP9	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_SubFP9	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP9	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP9	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP9	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP9	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP9	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP9	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP9	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP9	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP9	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP9	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP9	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP9	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP9	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP9	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP9	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP9	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_SubFP9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_SubFP9	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_SubFP9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_SubFP9	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP9	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_SubFP9	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_SubFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_SubFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_SubFP9	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_SubFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_SubFP9	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_SubFP9	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_SubFP9	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP9	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_SubFP9	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP9	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP9	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP9	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_SubFP9	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP9	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP9	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP9	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP9	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP9	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP9	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP9	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP9	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP9	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_SubFP9	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_SubFP9	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_SubFP9	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP9	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP9	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP9	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP9	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP9	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP9	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP9	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP9	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_SubFP9	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_SubFP9	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP9	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP9	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP9	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP9	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP9	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP9	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_SubFP9	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP9	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP9	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP9	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP9	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP10	BrCCBr	C106934
PADEL_SubFP10	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP10	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_SubFP10	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_SubFP10	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_SubFP10	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP10	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_SubFP10	O=C(CBr)OCc1ccccc1	C5437456
PADEL_SubFP10	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP10	OCC(CO)(CBr)CBr	C3296900
PADEL_SubFP10	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_SubFP10	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_SubFP10	N#CC(Br)Br	C3252435
PADEL_SubFP10	OCCCBr	C627189
PADEL_SubFP10	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_SubFP10	BrCCCCCCCCCCCC	C143157
PADEL_SubFP11	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_SubFP19	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP19	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP19	c1ccccc1Oc1ccccc1	C101848
PADEL_SubFP19	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP19	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP19	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_SubFP19	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_SubFP19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP19	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP19	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP19	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP19	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP19	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP19	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP19	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP19	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP19	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP19	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP19	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP19	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP19	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP19	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP19	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP19	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP19	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP19	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP19	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_SubFP19	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP19	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP19	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_SubFP19	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP19	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP19	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP19	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP19	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP19	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP19	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP19	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP19	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP19	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_SubFP19	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_SubFP19	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP19	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_SubFP19	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_SubFP19	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP19	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP19	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_SubFP19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP19	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP19	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_SubFP19	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP19	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP19	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP19	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP19	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP19	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP19	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP19	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_SubFP19	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_SubFP19	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP19	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP19	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP19	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP19	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP19	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP19	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP19	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP19	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP20	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP20	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP20	c1ccccc1Oc1ccccc1	C101848
PADEL_SubFP20	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP20	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP20	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_SubFP20	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_SubFP20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP20	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP20	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP20	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP20	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP20	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP20	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP20	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP20	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP20	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP20	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP20	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP20	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP20	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP20	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP20	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP20	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP20	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP20	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP20	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_SubFP20	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP20	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP20	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_SubFP20	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP20	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP20	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP20	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP20	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP20	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP20	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP20	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP20	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP20	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_SubFP20	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_SubFP20	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP20	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_SubFP20	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_SubFP20	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP20	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP20	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP20	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_SubFP20	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP20	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP20	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_SubFP20	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP20	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP20	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP20	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP20	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP20	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP20	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP20	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_SubFP20	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_SubFP20	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP20	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP20	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP20	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP20	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP20	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP20	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP20	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP20	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP21	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP21	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP21	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP21	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_SubFP21	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_SubFP21	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP21	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_SubFP21	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_SubFP28	c1(nc[nH]n1)N	C61825
PADEL_SubFP28	Nc1ccccc1.Cl	C142041
PADEL_SubFP28	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_SubFP28	Clc1c(ccc(c1)N)C	C95749
PADEL_SubFP28	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_SubFP28	Nc1ccc(cc1)N	C106503
PADEL_SubFP28	Nc1ccccc1C.Cl	C636215
PADEL_SubFP28	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_SubFP28	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_SubFP28	Nc1ccc(CCCC)cc1	C104132
PADEL_SubFP28	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_SubFP28	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP28	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP28	O=C(OCC)c1c(N)cccc1	C87252
PADEL_SubFP28	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP28	O(c1ccc(N)cc1)CC	C156434
PADEL_SubFP28	Nc1cccc(C)c1C	C1300738
PADEL_SubFP28	Nc1c(C)cccc1CC	C24549062
PADEL_SubFP28	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_SubFP28	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP28	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP28	Nc1ccc(CCCCC)cc1	C33228443
PADEL_SubFP28	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_SubFP28	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_SubFP28	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP28	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_SubFP28	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP28	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP28	Nc1ccc(CCC)cc1	C2696846
PADEL_SubFP28	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_SubFP28	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_SubFP28	Nc1ccc(cc1)OCCCC	C4344552
PADEL_SubFP28	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP28	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP28	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP28	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP28	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP28	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP28	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP28	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP28	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP28	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP28	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_SubFP28	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_SubFP28	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_SubFP28	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_SubFP28	Nc1c(ccc(c1)Cl)N	C95830
PADEL_SubFP28	Nc1ccc(cc1)Cl	C106478
PADEL_SubFP28	Nc1cc(ccc1OC)C	C120718
PADEL_SubFP28	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_SubFP28	Nc1c(ccc(c1)N)C	C95807
PADEL_SubFP28	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_SubFP28	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP28	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_SubFP28	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_SubFP28	Nc1cc2c(cccc2)cc1	C91598
PADEL_SubFP28	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP28	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP28	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP28	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_SubFP28	Nc1cc(ccc1)N	C108452
PADEL_SubFP28	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP28	Nc1ccc(C)cc1	C106490
PADEL_SubFP28	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_SubFP28	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP28	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP28	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP28	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP28	Nc1c(OC)cccc1	C90040
PADEL_SubFP28	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_SubFP28	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_SubFP28	O=C(O)c1ccc(N)cc1	C150130
PADEL_SubFP28	Oc1c(ccc(N)c1)C	C2835952
PADEL_SubFP28	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP28	Nc1cc(C)ccc1N	C496720
PADEL_SubFP28	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_SubFP28	O=C(OC)c1c(N)cccc1	C134203
PADEL_SubFP28	Nc1c(N)cccc1	C95545
PADEL_SubFP28	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_SubFP28	Nc1c(cccc1)C	C95534
PADEL_SubFP28	Nc1c(cccc1C)C	C87627
PADEL_SubFP28	Nc1cccc(C)c1	C108441
PADEL_SubFP28	Nc1c(CC)cccc1CC	C579668
PADEL_SubFP28	Nc1cccc(C)c1N	C2687254
PADEL_SubFP28	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP28	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP28	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_SubFP28	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP28	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP28	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP28	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP28	Clc1ccc(N)cc1.Cl	C20265967
PADEL_SubFP28	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_SubFP28	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP28	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP28	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP28	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP28	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_SubFP28	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_SubFP28	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_SubFP28	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_SubFP28	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP28	Nc1ccc(Br)cc1	C106401
PADEL_SubFP28	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP28	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_SubFP28	Nc1ccc(OC)cc1	C104949
PADEL_SubFP28	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_SubFP28	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_SubFP28	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_SubFP28	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP28	Nc1cccc(C)n1	C1824813
PADEL_SubFP28	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_SubFP28	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_SubFP28	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_SubFP28	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP39	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_SubFP39	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_SubFP39	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_SubFP39	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP39	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_SubFP39	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_SubFP39	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_SubFP39	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP43	O(O)C(c1ccccc1)(C)C	C80159
PADEL_SubFP44	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP44	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_SubFP44	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_SubFP44	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_SubFP44	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_SubFP47	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_SubFP47	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_SubFP47	Cl[Sn](C)(C)Cl	C753731
PADEL_SubFP47	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_SubFP47	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_SubFP47	c1([Hg]c2ccccc2)ccccc1	C587859
PADEL_SubFP47	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_SubFP47	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_SubFP47	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_SubFP47	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_SubFP47	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP47	Br[Sn](CC)(CC)CC	C2767546
PADEL_SubFP47	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_SubFP47	Cl[Hg]c1ccccc1	C100561
PADEL_SubFP47	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_SubFP47	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_SubFP47	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_SubFP47	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP47	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_SubFP47	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_SubFP49	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_SubFP49	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_SubFP49	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP49	O=C1CCCCC1	C108941
PADEL_SubFP49	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP49	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_SubFP49	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_SubFP49	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_SubFP49	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP49	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP49	CCCC(=O)C	C107879
PADEL_SubFP49	CCCCCC(=O)C	C110430
PADEL_SubFP49	CCCCCCCCCC(=O)C	C112129
PADEL_SubFP49	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_SubFP49	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP49	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_SubFP49	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_SubFP49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP49	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP49	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP49	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP49	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_SubFP49	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_SubFP49	C(C(=O)C)C(C)(C)O	C123422
PADEL_SubFP49	O=C(CC(C)C)CC(C)C	C108838
PADEL_SubFP49	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_SubFP49	O=C(C)C=Cc1ccccc1	C122576
PADEL_SubFP49	O=C(N(C)C)CC(=O)C	C2044646
PADEL_SubFP49	O=C(c1ccc(O)cc1)C	C99934
PADEL_SubFP49	O=C1CCCC1	C120923
PADEL_SubFP49	O=C(C=C(C)C)C	C141797
PADEL_SubFP49	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP49	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_SubFP49	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP49	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_SubFP49	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_SubFP49	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP49	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP49	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP49	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP49	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_SubFP49	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP49	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP49	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP49	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP49	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP49	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP49	O=C(c1ccccc1O)C	C118934
PADEL_SubFP49	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP49	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_SubFP49	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP49	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_SubFP49	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_SubFP49	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_SubFP49	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_SubFP49	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_SubFP49	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_SubFP49	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP49	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP49	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_SubFP49	O=C(CC)CCCCC	C106683
PADEL_SubFP49	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_SubFP49	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP49	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_SubFP49	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_SubFP49	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP49	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_SubFP49	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP49	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP49	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_SubFP49	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_SubFP49	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP49	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_SubFP49	O=C1CCC(CCC)CC1	C40649363
PADEL_SubFP49	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_SubFP49	O=C(c1ccccc1)C(C)C	C611701
PADEL_SubFP49	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP49	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_SubFP49	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP49	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP49	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_SubFP49	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP49	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP49	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP49	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP49	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP49	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP49	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP49	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP49	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_SubFP49	O=C(c1ccccc1)CCl	C532274
PADEL_SubFP49	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP49	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_SubFP49	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_SubFP49	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP49	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP49	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP49	c1ccccc1C(=O)C	C98862
PADEL_SubFP49	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_SubFP49	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP49	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_SubFP49	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP49	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP49	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_SubFP49	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP49	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP49	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP49	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_SubFP49	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP49	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP49	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP49	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP49	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP49	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP49	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP49	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP49	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP49	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP49	CC(=O)CCC(C)C	C110123
PADEL_SubFP49	CC(=O)CC(C)C	C108101
PADEL_SubFP49	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_SubFP49	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_SubFP49	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP49	O=C(CCl)CCl	C534076
PADEL_SubFP49	CC(=O)C(=O)O	C127173
PADEL_SubFP49	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_SubFP49	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP49	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP49	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_SubFP49	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP49	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP49	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_SubFP49	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP49	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_SubFP49	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP49	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_SubFP49	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_SubFP49	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_SubFP49	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_SubFP49	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_SubFP49	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP49	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP49	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_SubFP49	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP49	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_SubFP49	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP49	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP49	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP49	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP49	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_SubFP49	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP49	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_SubFP49	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_SubFP49	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP49	CCC(=O)C(=O)CC	C4437518
PADEL_SubFP68	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_SubFP68	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP68	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_SubFP68	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_SubFP68	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_SubFP68	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_SubFP68	Cl/C=C/Cl	C156605
PADEL_SubFP68	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP68	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP68	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP68	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_SubFP68	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP68	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP68	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP68	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_SubFP68	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP68	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP68	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP68	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP68	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP68	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP68	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_SubFP68	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_SubFP68	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_SubFP68	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP68	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP68	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_SubFP68	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_SubFP68	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_SubFP68	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_SubFP68	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP68	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_SubFP70	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP70	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP71	IC(=C(I)I)I	C513928
PADEL_SubFP133	C=CC#N	C107131
PADEL_SubFP133	NC(=N)NC#N	C461585
PADEL_SubFP133	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP133	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP133	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP133	N#CCC#N	C109773
PADEL_SubFP133	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP133	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP133	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP133	CC(=C)C#N	C126987
PADEL_SubFP133	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_SubFP133	C(C)(C)(O)C#N	C75865
PADEL_SubFP133	N#CC(CCC#N)C	C4553622
PADEL_SubFP133	N#CC(C)C	C78820
PADEL_SubFP133	N#C[S-].[NH4+]	C1762954
PADEL_SubFP133	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP133	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP133	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP133	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_SubFP133	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP133	N#Cc1c(O)cccc1	C611201
PADEL_SubFP133	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP133	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_SubFP133	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_SubFP133	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP133	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP133	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP133	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP133	C(SC#N)SC#N	C6317186
PADEL_SubFP133	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP133	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_SubFP133	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP133	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP133	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP133	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP133	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP133	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP133	N#CN	C420042
PADEL_SubFP133	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP133	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP133	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP133	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP133	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP133	N#CCCCCC#N	C111693
PADEL_SubFP133	N#Cc1cnccc1	C100549
PADEL_SubFP133	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_SubFP133	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP133	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_SubFP133	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP133	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP133	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP133	N#CC(Br)Br	C3252435
PADEL_SubFP133	N#Cc1ccccc1	C100470
PADEL_SubFP133	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_SubFP133	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP133	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP133	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP133	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP133	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_SubFP133	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP133	N#CSCCCCCCCCCCCC	C765151
PADEL_SubFP133	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP133	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_SubFP133	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP133	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_SubFP133	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP143	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_SubFP143	NC(=N)NC#N	C461585
PADEL_SubFP143	S=C(NCC)NCC	C105555
PADEL_SubFP143	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP143	NC(=O)OC	C598550
PADEL_SubFP143	CN(C(=O)N)N=O	C684935
PADEL_SubFP143	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP143	NC(=S)N	C62566
PADEL_SubFP143	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP143	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP143	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP143	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_SubFP143	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP143	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP143	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP143	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP143	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP143	O=C(N)N=NC(=O)N	C123773
PADEL_SubFP143	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP143	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP143	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP143	OCNC(=O)NCO	C140954
PADEL_SubFP143	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP143	O=C1OCC(C)O1	C108327
PADEL_SubFP143	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP143	NNC(=S)NN	C2231574
PADEL_SubFP143	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP143	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP143	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_SubFP143	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP143	O=C1NC2NC(=O)NC2N1	C496468
PADEL_SubFP143	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP143	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP143	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP143	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_SubFP143	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP143	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP143	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP143	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP143	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP143	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP143	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_SubFP143	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_SubFP143	O=C1OCC(CC)O1	C4437858
PADEL_SubFP143	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP143	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP143	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP143	S=C(NC)NC	C534134
PADEL_SubFP143	O=C(N)Nc1ccccc1	C64108
PADEL_SubFP143	NNC(=S)NC	C6610293
PADEL_SubFP143	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP143	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP143	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP143	S=C1NCCN1	C96457
PADEL_SubFP143	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP143	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP143	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP143	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP143	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_SubFP143	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_SubFP143	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP143	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP143	CSC(=NOC(=O)NC)C	C16752775
PADEL_SubFP143	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP143	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP143	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP143	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP143	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP143	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP143	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP143	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP143	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP143	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP143	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP143	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP143	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP143	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP143	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP143	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP143	CN1CN(C)CSC1=S	C533744
PADEL_SubFP143	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP143	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP143	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP143	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP143	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP143	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP143	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP143	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP143	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP143	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP143	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP143	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP143	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_SubFP143	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP143	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP143	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP143	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP143	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP143	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP143	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP143	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP143	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP143	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP143	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP143	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP143	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP143	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP143	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP143	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP143	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP143	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP143	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP143	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP143	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP143	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_SubFP143	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP143	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP143	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP143	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP143	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP143	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP143	O=C(N(C)C)Cl	C79447
PADEL_SubFP143	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP143	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP143	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP143	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP143	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP143	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP143	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP143	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP143	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP143	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP143	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP143	C(=O)(N)N	C57136
PADEL_SubFP143	NC(=O)OCC	C51796
PADEL_SubFP143	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP143	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP143	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP143	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP143	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP143	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP143	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP143	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP143	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP143	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP143	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_SubFP143	C(=O)(N)NO	C127071
PADEL_SubFP143	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP143	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP143	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP143	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP143	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP143	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP143	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP143	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP143	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP143	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP143	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP143	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP143	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP143	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP143	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP143	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP143	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP143	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP143	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP143	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP143	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP143	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP143	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP143	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP143	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP143	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP143	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP143	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP143	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP143	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP143	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP143	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP143	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP143	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP143	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP143	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP143	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP143	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP143	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP143	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP143	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP143	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP143	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP143	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP143	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP143	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_SubFP143	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_SubFP143	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP143	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP143	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP143	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP143	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP143	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_SubFP143	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP143	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP143	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP143	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP143	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP143	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP143	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP143	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP143	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP143	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP143	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP143	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP143	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP143	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP143	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP143	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP143	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP144	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_SubFP144	NC(=N)NC#N	C461585
PADEL_SubFP144	S=C(NCC)NCC	C105555
PADEL_SubFP144	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP144	NC(=O)OC	C598550
PADEL_SubFP144	CN(C(=O)N)N=O	C684935
PADEL_SubFP144	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP144	NC(=S)N	C62566
PADEL_SubFP144	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP144	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP144	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP144	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_SubFP144	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP144	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP144	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP144	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP144	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP144	O=C(N)N=NC(=O)N	C123773
PADEL_SubFP144	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP144	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP144	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP144	OCNC(=O)NCO	C140954
PADEL_SubFP144	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP144	O=C1OCC(C)O1	C108327
PADEL_SubFP144	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP144	NNC(=S)NN	C2231574
PADEL_SubFP144	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP144	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP144	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_SubFP144	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP144	O=C1NC2NC(=O)NC2N1	C496468
PADEL_SubFP144	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP144	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP144	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP144	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_SubFP144	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP144	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP144	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP144	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP144	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP144	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP144	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_SubFP144	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_SubFP144	O=C1OCC(CC)O1	C4437858
PADEL_SubFP144	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP144	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP144	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP144	S=C(NC)NC	C534134
PADEL_SubFP144	O=C(N)Nc1ccccc1	C64108
PADEL_SubFP144	NNC(=S)NC	C6610293
PADEL_SubFP144	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP144	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP144	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP144	S=C1NCCN1	C96457
PADEL_SubFP144	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP144	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP144	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP144	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP144	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_SubFP144	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_SubFP144	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP144	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP144	CSC(=NOC(=O)NC)C	C16752775
PADEL_SubFP144	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP144	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP144	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP144	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP144	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP144	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP144	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP144	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP144	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP144	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP144	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP144	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP144	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP144	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP144	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP144	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP144	CN1CN(C)CSC1=S	C533744
PADEL_SubFP144	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP144	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP144	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP144	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP144	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP144	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP144	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP144	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP144	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP144	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP144	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP144	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP144	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_SubFP144	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP144	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP144	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP144	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP144	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP144	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP144	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP144	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP144	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP144	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP144	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP144	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP144	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP144	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP144	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP144	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP144	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP144	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP144	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP144	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP144	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP144	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_SubFP144	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP144	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP144	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP144	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP144	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP144	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP144	O=C(N(C)C)Cl	C79447
PADEL_SubFP144	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP144	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP144	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP144	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP144	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP144	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP144	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP144	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP144	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP144	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP144	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP144	C(=O)(N)N	C57136
PADEL_SubFP144	NC(=O)OCC	C51796
PADEL_SubFP144	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP144	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP144	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP144	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP144	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP144	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP144	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP144	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP144	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP144	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP144	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_SubFP144	C(=O)(N)NO	C127071
PADEL_SubFP144	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP144	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP144	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP144	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP144	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP144	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP144	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP144	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP144	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP144	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP144	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP144	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP144	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP144	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP144	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP144	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP144	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP144	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP144	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP144	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP144	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP144	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP144	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP144	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP144	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP144	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP144	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP144	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP144	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP144	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP144	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP144	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP144	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP144	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP144	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP144	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP144	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP144	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP144	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP144	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP144	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP144	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP144	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP144	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_SubFP144	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_SubFP144	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP144	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP144	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP144	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP144	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP144	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_SubFP144	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP144	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP144	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP144	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP144	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP144	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP144	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP144	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP144	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP144	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP144	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP144	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP144	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP144	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP144	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP144	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP144	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP145	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_SubFP145	NC(=N)NC#N	C461585
PADEL_SubFP145	S=C(NCC)NCC	C105555
PADEL_SubFP145	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP145	NC(=O)OC	C598550
PADEL_SubFP145	CN(C(=O)N)N=O	C684935
PADEL_SubFP145	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP145	NC(=S)N	C62566
PADEL_SubFP145	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP145	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP145	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP145	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_SubFP145	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP145	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP145	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP145	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP145	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP145	O=C(N)N=NC(=O)N	C123773
PADEL_SubFP145	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP145	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP145	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP145	OCNC(=O)NCO	C140954
PADEL_SubFP145	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP145	O=C1OCC(C)O1	C108327
PADEL_SubFP145	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP145	NNC(=S)NN	C2231574
PADEL_SubFP145	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP145	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP145	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_SubFP145	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP145	O=C1NC2NC(=O)NC2N1	C496468
PADEL_SubFP145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP145	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP145	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP145	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_SubFP145	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP145	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP145	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP145	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP145	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP145	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP145	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_SubFP145	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_SubFP145	O=C1OCC(CC)O1	C4437858
PADEL_SubFP145	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP145	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP145	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP145	S=C(NC)NC	C534134
PADEL_SubFP145	O=C(N)Nc1ccccc1	C64108
PADEL_SubFP145	NNC(=S)NC	C6610293
PADEL_SubFP145	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP145	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP145	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP145	S=C1NCCN1	C96457
PADEL_SubFP145	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP145	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP145	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP145	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP145	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_SubFP145	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_SubFP145	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP145	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP145	CSC(=NOC(=O)NC)C	C16752775
PADEL_SubFP145	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP145	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP145	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP145	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP145	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP145	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP145	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP145	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP145	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP145	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP145	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP145	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP145	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP145	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP145	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP145	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP145	CN1CN(C)CSC1=S	C533744
PADEL_SubFP145	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP145	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP145	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP145	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP145	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP145	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP145	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP145	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP145	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP145	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP145	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP145	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP145	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_SubFP145	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP145	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP145	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP145	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP145	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP145	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP145	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP145	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP145	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP145	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP145	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP145	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP145	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP145	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP145	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP145	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP145	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP145	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP145	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP145	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP145	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP145	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_SubFP145	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP145	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP145	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP145	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP145	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP145	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP145	O=C(N(C)C)Cl	C79447
PADEL_SubFP145	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP145	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP145	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP145	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP145	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP145	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP145	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP145	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP145	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP145	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP145	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP145	C(=O)(N)N	C57136
PADEL_SubFP145	NC(=O)OCC	C51796
PADEL_SubFP145	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP145	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP145	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP145	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP145	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP145	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP145	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP145	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP145	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP145	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP145	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_SubFP145	C(=O)(N)NO	C127071
PADEL_SubFP145	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP145	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP145	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP145	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP145	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP145	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP145	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP145	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP145	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP145	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP145	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP145	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP145	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP145	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP145	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP145	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP145	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP145	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP145	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP145	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP145	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP145	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP145	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP145	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP145	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP145	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP145	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP145	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP145	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP145	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP145	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP145	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP145	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP145	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP145	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP145	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP145	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP145	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP145	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP145	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP145	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP145	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP145	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP145	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_SubFP145	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_SubFP145	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP145	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP145	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP145	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP145	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP145	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_SubFP145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP145	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP145	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP145	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP145	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP145	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP145	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP145	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP145	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP145	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP145	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP145	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP145	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP145	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP145	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP145	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP145	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP146	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_SubFP146	NC(=N)NC#N	C461585
PADEL_SubFP146	S=C(NCC)NCC	C105555
PADEL_SubFP146	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP146	NC(=O)OC	C598550
PADEL_SubFP146	CN(C(=O)N)N=O	C684935
PADEL_SubFP146	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP146	NC(=S)N	C62566
PADEL_SubFP146	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP146	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP146	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP146	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_SubFP146	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP146	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP146	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP146	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP146	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP146	O=C(N)N=NC(=O)N	C123773
PADEL_SubFP146	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP146	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP146	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP146	OCNC(=O)NCO	C140954
PADEL_SubFP146	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP146	O=C1OCC(C)O1	C108327
PADEL_SubFP146	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP146	NNC(=S)NN	C2231574
PADEL_SubFP146	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP146	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP146	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_SubFP146	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP146	O=C1NC2NC(=O)NC2N1	C496468
PADEL_SubFP146	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP146	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP146	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP146	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_SubFP146	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP146	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP146	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP146	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP146	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP146	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP146	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_SubFP146	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_SubFP146	O=C1OCC(CC)O1	C4437858
PADEL_SubFP146	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP146	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP146	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP146	S=C(NC)NC	C534134
PADEL_SubFP146	O=C(N)Nc1ccccc1	C64108
PADEL_SubFP146	NNC(=S)NC	C6610293
PADEL_SubFP146	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP146	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP146	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP146	S=C1NCCN1	C96457
PADEL_SubFP146	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP146	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP146	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP146	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP146	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_SubFP146	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_SubFP146	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP146	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP146	CSC(=NOC(=O)NC)C	C16752775
PADEL_SubFP146	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP146	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP146	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP146	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP146	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP146	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP146	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP146	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP146	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP146	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP146	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP146	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP146	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP146	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP146	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP146	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP146	CN1CN(C)CSC1=S	C533744
PADEL_SubFP146	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP146	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP146	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP146	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP146	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP146	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP146	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP146	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP146	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP146	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP146	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP146	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP146	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_SubFP146	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP146	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP146	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP146	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP146	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP146	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP146	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP146	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP146	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP146	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP146	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP146	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP146	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP146	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP146	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP146	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP146	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP146	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP146	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP146	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP146	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP146	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_SubFP146	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP146	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP146	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP146	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP146	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP146	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP146	O=C(N(C)C)Cl	C79447
PADEL_SubFP146	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP146	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP146	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP146	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP146	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP146	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP146	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP146	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP146	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP146	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP146	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP146	C(=O)(N)N	C57136
PADEL_SubFP146	NC(=O)OCC	C51796
PADEL_SubFP146	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP146	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP146	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP146	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP146	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP146	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP146	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP146	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP146	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP146	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP146	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_SubFP146	C(=O)(N)NO	C127071
PADEL_SubFP146	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP146	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP146	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP146	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP146	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP146	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP146	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP146	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP146	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP146	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP146	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP146	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP146	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP146	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP146	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP146	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP146	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP146	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP146	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP146	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP146	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP146	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP146	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP146	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP146	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP146	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP146	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP146	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP146	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP146	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP146	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP146	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP146	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP146	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP146	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP146	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP146	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP146	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP146	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP146	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP146	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP146	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP146	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP146	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP146	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP146	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP146	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP146	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP146	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP146	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP146	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_SubFP146	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_SubFP146	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP146	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP146	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP146	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP146	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP146	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_SubFP146	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP146	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP146	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP146	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP146	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP146	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP146	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP146	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP146	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP146	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP146	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP146	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP146	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP146	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP146	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP146	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP146	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP153	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP153	NC(=O)OC	C598550
PADEL_SubFP153	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP153	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP153	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP153	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP153	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP153	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP153	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP153	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP153	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP153	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP153	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP153	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP153	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP153	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP153	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP153	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP153	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP153	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP153	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP153	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP153	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP153	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP153	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP153	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP153	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP153	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP153	NC(=O)OCC	C51796
PADEL_SubFP153	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP153	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP153	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP153	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP153	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP153	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP153	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP153	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP153	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP153	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP153	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP153	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP153	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP153	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP153	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP154	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP154	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP154	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP154	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP154	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP154	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP154	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP160	NNC(=S)NN	C2231574
PADEL_SubFP163	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_SubFP163	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_SubFP163	O=C=NCCCCCCN=C=O	C822060
PADEL_SubFP163	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_SubFP165	C=CCN=C=S	C57067
PADEL_SubFP165	S=C=NC	C556616
PADEL_SubFP165	S=C=NCCCSC	C505793
PADEL_SubFP166	C(SC#N)SC#N	C6317186
PADEL_SubFP166	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP166	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP166	N#CSCCCCCCCCCCCC	C765151
PADEL_SubFP167	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_SubFP168	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_SubFP169	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_SubFP169	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_SubFP169	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_SubFP169	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_SubFP169	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_SubFP169	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP169	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP169	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP169	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP169	COc1ccc(cc1)O	C150765
PADEL_SubFP169	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_SubFP169	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP169	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_SubFP169	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP169	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP169	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP169	c1(O)ccccc1C(=O)N	C65452
PADEL_SubFP169	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_SubFP169	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP169	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP169	O=Cc1ccccc1O	C90028
PADEL_SubFP169	Oc1cccc2ccccc12	C90153
PADEL_SubFP169	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_SubFP169	Oc1ccc(Cl)cc1	C106489
PADEL_SubFP169	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_SubFP169	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_SubFP169	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_SubFP169	Oc1ccc(CC)cc1	C123079
PADEL_SubFP169	Oc1ccc(CCC)cc1	C645567
PADEL_SubFP169	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP169	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP169	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_SubFP169	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_SubFP169	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP169	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP169	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP169	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP169	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_SubFP169	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP169	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP169	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP169	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_SubFP169	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_SubFP169	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_SubFP169	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_SubFP169	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_SubFP169	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_SubFP169	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP169	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_SubFP169	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_SubFP169	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_SubFP169	c1(c(CC)cccc1)O	C90006
PADEL_SubFP169	c1c(O)cccc1CC	C620177
PADEL_SubFP169	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_SubFP169	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_SubFP169	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_SubFP169	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP169	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_SubFP169	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_SubFP169	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_SubFP169	c1cccc(OC)c1O	C90051
PADEL_SubFP169	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP169	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_SubFP169	Cc1cc(O)ccc1	C108394
PADEL_SubFP169	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_SubFP169	Oc1cc(Cl)ccc1Cl	C583788
PADEL_SubFP169	N(C)(C)c1cccc(O)c1	C99070
PADEL_SubFP169	Cc1c(C)cccc1O	C526750
PADEL_SubFP169	Cc1cc(C)cc(O)c1	C108689
PADEL_SubFP169	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_SubFP169	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP169	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP169	O=C(O)c1ccccc1O	C69727
PADEL_SubFP169	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_SubFP169	O=C(O)c1ccc(O)cc1	C99967
PADEL_SubFP169	Oc1ccc2ccccc2c1	C135193
PADEL_SubFP169	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_SubFP169	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_SubFP169	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP169	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_SubFP169	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_SubFP169	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_SubFP169	O=C(c1ccc(O)cc1)C	C99934
PADEL_SubFP169	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_SubFP169	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_SubFP169	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_SubFP169	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP169	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP169	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_SubFP169	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP169	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_SubFP169	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_SubFP169	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_SubFP169	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_SubFP169	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_SubFP169	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_SubFP169	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_SubFP169	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP169	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP169	O=C(c1ccccc1O)C	C118934
PADEL_SubFP169	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP169	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP169	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_SubFP169	Oc1ccccc1CN(C)C	C120650
PADEL_SubFP169	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_SubFP169	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_SubFP169	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP169	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_SubFP169	N#Cc1c(O)cccc1	C611201
PADEL_SubFP169	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_SubFP169	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP169	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP169	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP169	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP169	Oc1cc(C(C)C)ccc1C	C499752
PADEL_SubFP169	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_SubFP169	Oc1c(OCC)cccc1	C94713
PADEL_SubFP169	Oc1ccc(C(C)C)cc1	C99898
PADEL_SubFP169	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_SubFP169	Oc1c(C(C)C)cccc1	C88697
PADEL_SubFP169	Oc1cc(C(C)C)ccc1	C618451
PADEL_SubFP169	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP169	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP169	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_SubFP169	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP169	Oc1ccc(CCCC)cc1	C1638228
PADEL_SubFP169	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP169	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_SubFP169	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_SubFP169	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_SubFP169	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_SubFP169	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_SubFP169	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP169	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP169	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_SubFP169	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_SubFP169	Oc1c(cccc1)c1ccccc1	C90437
PADEL_SubFP169	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_SubFP169	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_SubFP169	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP169	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_SubFP169	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP169	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP169	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_SubFP169	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP169	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_SubFP169	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_SubFP169	Oc1c(cccc1)O	C120809
PADEL_SubFP169	Clc1c(ccc(c1)Cl)O	C120832
PADEL_SubFP169	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP169	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_SubFP169	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_SubFP169	Oc1ccc(cc1)O	C123319
PADEL_SubFP169	Oc1cccc2cccnc12	C148243
PADEL_SubFP169	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_SubFP169	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP169	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_SubFP169	Oc1ccccc1	C108952
PADEL_SubFP169	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_SubFP169	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_SubFP169	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP169	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP169	Oc1cc(ccc1)O	C108463
PADEL_SubFP169	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP169	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP169	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_SubFP169	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_SubFP169	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP169	Oc1ccccc1Cl	C95578
PADEL_SubFP169	Oc1cc(C)c(Cl)cc1	C59507
PADEL_SubFP169	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_SubFP169	Oc1c(C)cccc1	C95487
PADEL_SubFP169	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP169	Oc1c(C)cc(C)cc1	C105679
PADEL_SubFP169	Oc1ccc(C)cc1	C106445
PADEL_SubFP169	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_SubFP169	Oc1c(C)cc(C)cc1C	C527606
PADEL_SubFP169	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP169	Oc1c(C)c(C)ccc1C	C2416946
PADEL_SubFP169	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_SubFP169	c1(c(O)cccc1)C(CC)C	C89725
PADEL_SubFP169	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_SubFP169	Oc1ccc(C=CC)cc1OC	C97541
PADEL_SubFP169	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_SubFP169	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_SubFP169	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP169	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP169	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP169	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP169	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP169	Oc1cc(C)c(C)cc1	C95658
PADEL_SubFP169	Oc1c(cccc1C)C	C576261
PADEL_SubFP169	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_SubFP169	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP169	Oc1c(ccc(N)c1)C	C2835952
PADEL_SubFP169	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_SubFP169	Oc1c(ccc(C)c1)C	C95874
PADEL_SubFP169	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_SubFP169	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP169	O=C(OC)c1c(O)cccc1	C119368
PADEL_SubFP169	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_SubFP169	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_SubFP169	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_SubFP169	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_SubFP169	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_SubFP169	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_SubFP169	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_SubFP169	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP169	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP169	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_SubFP169	Oc1cc(C)ccc1C(C)C	C89838
PADEL_SubFP169	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_SubFP169	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_SubFP169	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP169	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_SubFP169	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_SubFP169	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_SubFP169	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP169	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP169	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_SubFP169	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP169	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP169	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP169	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_SubFP169	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_SubFP169	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_SubFP169	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP169	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP169	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_SubFP169	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_SubFP169	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP169	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_SubFP169	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_SubFP169	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_SubFP169	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP169	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP169	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_SubFP169	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP169	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_SubFP169	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_SubFP169	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_SubFP169	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_SubFP169	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP169	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_SubFP169	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_SubFP169	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_SubFP169	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP169	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_SubFP169	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP169	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_SubFP169	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_SubFP169	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_SubFP169	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_SubFP169	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP169	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_SubFP169	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_SubFP169	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_SubFP169	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP169	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP169	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_SubFP169	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_SubFP169	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP169	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_SubFP169	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP169	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP169	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP169	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_SubFP169	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_SubFP169	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_SubFP169	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_SubFP169	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_SubFP169	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP169	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP169	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_SubFP170	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP170	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_SubFP170	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP170	Oc1c(cccc1)O	C120809
PADEL_SubFP170	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_SubFP170	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP170	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP170	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP170	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_SubFP170	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_SubFP170	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP170	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP170	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_SubFP170	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP170	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_SubFP170	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_SubFP171	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP171	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP171	Clc1c(ccc(c1)N)C	C95749
PADEL_SubFP171	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_SubFP171	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_SubFP171	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_SubFP171	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP171	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_SubFP171	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_SubFP171	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_SubFP171	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_SubFP171	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_SubFP171	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_SubFP171	Oc1ccc(Cl)cc1	C106489
PADEL_SubFP171	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_SubFP171	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_SubFP171	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP171	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_SubFP171	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP171	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP171	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP171	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_SubFP171	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_SubFP171	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_SubFP171	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_SubFP171	Oc1cc(Cl)ccc1Cl	C583788
PADEL_SubFP171	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP171	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_SubFP171	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP171	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_SubFP171	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP171	Clc1cccc(C)c1	C25168052
PADEL_SubFP171	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_SubFP171	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_SubFP171	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP171	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_SubFP171	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP171	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_SubFP171	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP171	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP171	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP171	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP171	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_SubFP171	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP171	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP171	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP171	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_SubFP171	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP171	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP171	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP171	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP171	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP171	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP171	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_SubFP171	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP171	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_SubFP171	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP171	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP171	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP171	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP171	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP171	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP171	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP171	Clc1ccc(CCCC)cc1	C15499271
PADEL_SubFP171	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP171	Clc1ccc(CCCCC)cc1	C79098207
PADEL_SubFP171	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP171	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP171	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_SubFP171	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_SubFP171	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP171	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_SubFP171	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP171	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_SubFP171	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_SubFP171	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP171	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_SubFP171	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP171	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP171	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP171	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP171	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP171	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_SubFP171	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP171	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP171	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP171	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP171	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_SubFP171	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_SubFP171	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP171	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP171	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP171	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_SubFP171	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP171	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP171	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP171	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP171	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP171	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP171	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP171	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP171	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP171	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP171	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP171	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP171	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_SubFP171	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP171	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP171	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP171	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_SubFP171	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_SubFP171	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP171	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP171	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP171	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP171	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP171	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP171	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP171	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_SubFP171	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP171	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP171	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP171	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP171	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP171	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP171	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP171	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP171	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP171	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP171	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_SubFP171	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP171	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_SubFP171	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP171	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP171	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP171	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP171	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP171	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP171	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP171	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP171	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_SubFP171	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP171	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP171	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP171	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP171	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP171	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP171	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP171	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP171	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_SubFP171	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP171	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP171	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP171	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP171	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP171	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP171	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP171	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP171	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP171	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP171	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP171	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP171	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP171	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP171	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP171	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP171	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP171	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP171	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP171	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP171	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_SubFP171	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP171	Nc1c(ccc(c1)Cl)N	C95830
PADEL_SubFP171	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP171	Nc1ccc(cc1)Cl	C106478
PADEL_SubFP171	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_SubFP171	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP171	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_SubFP171	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_SubFP171	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_SubFP171	Clc1c(cccc1)Cl	C95501
PADEL_SubFP171	Clc1ccc(cc1)Cl	C106467
PADEL_SubFP171	Clc1c(ccc(c1)Cl)O	C120832
PADEL_SubFP171	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP171	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_SubFP171	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP171	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP171	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_SubFP171	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP171	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_SubFP171	Oc1ccccc1Cl	C95578
PADEL_SubFP171	Oc1cc(C)c(Cl)cc1	C59507
PADEL_SubFP171	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_SubFP171	Clc1cc(Cl)ccc1	C541731
PADEL_SubFP171	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP171	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP171	Cc1ccccc1Cl	C95498
PADEL_SubFP171	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_SubFP171	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP171	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_SubFP171	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_SubFP171	Cc1ccc(Cl)cc1	C106434
PADEL_SubFP171	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_SubFP171	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP171	Clc1c(Cl)cccc1Cl	C87616
PADEL_SubFP171	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP171	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_SubFP171	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP171	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP171	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_SubFP171	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP171	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP171	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP171	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP171	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP171	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP171	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP171	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP171	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_SubFP171	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_SubFP171	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_SubFP171	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP171	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP171	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_SubFP171	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP171	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP171	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP171	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP171	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_SubFP171	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP171	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_SubFP171	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP171	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_SubFP171	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP171	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_SubFP171	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_SubFP171	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP171	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP171	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP171	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP171	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP171	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP171	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP171	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP171	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP171	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP171	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP171	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP171	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP171	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP171	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP171	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP171	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP171	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP171	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP171	Clc1ccc(N)cc1.Cl	C20265967
PADEL_SubFP171	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_SubFP171	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_SubFP171	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP171	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_SubFP171	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_SubFP171	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_SubFP171	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_SubFP171	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP171	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP171	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_SubFP171	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP171	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP171	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP171	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_SubFP171	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP171	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP171	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP171	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP171	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP171	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_SubFP171	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP171	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP171	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_SubFP171	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_SubFP171	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP171	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_SubFP171	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_SubFP171	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP171	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP171	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP171	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP171	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_SubFP171	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_SubFP171	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP171	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP171	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP171	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP171	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP171	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP171	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_SubFP171	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP171	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_SubFP171	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP171	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_SubFP171	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP171	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_SubFP171	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_SubFP172	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP172	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP172	Brc1ccc(F)cc1	C460004
PADEL_SubFP172	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP172	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP172	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP172	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP172	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP172	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP172	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP172	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP172	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP172	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP172	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP172	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP172	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP172	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP172	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP172	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP172	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP172	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP172	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP172	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP172	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP172	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP172	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP172	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP172	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP172	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP172	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP172	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP172	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP172	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_SubFP172	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP172	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP172	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP172	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP172	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_SubFP172	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP172	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP172	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP172	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP172	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP172	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP172	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP172	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP172	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP172	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP172	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP172	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP172	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP172	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP172	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP172	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP172	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP172	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_SubFP172	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP172	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP172	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP172	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP172	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP172	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP172	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP172	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP172	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP172	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP172	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP172	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP172	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP172	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP172	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP172	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP172	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP172	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_SubFP172	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP173	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP173	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_SubFP173	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP173	Brc1ccc(F)cc1	C460004
PADEL_SubFP173	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP173	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP173	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_SubFP173	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP173	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_SubFP173	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP173	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_SubFP173	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_SubFP173	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP173	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP173	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP173	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP173	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP173	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP173	Nc1ccc(Br)cc1	C106401
PADEL_SubFP173	Brc1ccccc1c1ccccc1	C2052075
PADEL_SubFP173	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_SubFP173	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP173	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_SubFP173	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_SubFP173	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP173	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP173	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_SubFP173	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP173	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP174	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP174	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP174	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP174	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP174	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP174	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP174	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP174	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_SubFP174	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_SubFP174	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP174	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP175	Sc1ccccc1	C108985
PADEL_SubFP175	Sc1ccc(C)cc1	C106456
PADEL_SubFP175	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_SubFP175	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP177	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP177	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP177	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP177	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP177	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP177	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP177	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP177	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP177	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP177	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP177	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP177	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP177	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP177	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP177	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP177	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP177	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP177	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP177	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP177	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP177	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP177	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP177	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP177	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP177	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP177	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP177	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP177	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP177	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP177	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP177	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP177	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP177	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP177	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP177	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP177	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP177	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP177	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP177	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP177	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP177	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP177	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP177	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP177	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP177	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP177	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP177	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP177	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP177	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP177	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP177	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP177	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP177	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP177	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP177	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP177	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP177	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_SubFP177	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP177	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP177	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP177	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP177	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP177	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP177	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP177	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP177	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP177	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP177	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP177	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP177	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP177	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP177	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP177	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP177	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP177	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP177	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP177	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP177	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP177	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP177	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP177	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP177	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP177	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP177	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP177	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP177	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP177	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP177	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP177	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP178	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP178	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP178	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP178	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP178	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP179	c1(nc[nH]n1)N	C61825
PADEL_SubFP179	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP179	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP179	c1cccc2[nH]ccc12	C120729
PADEL_SubFP179	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP179	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP179	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP179	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP179	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP179	n1c[nH]cc1	C288324
PADEL_SubFP179	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP179	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP179	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP179	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP179	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP179	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP179	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP179	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP179	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP179	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP179	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP179	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP179	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP179	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP179	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP179	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP179	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP179	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP179	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP179	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP179	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP179	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP179	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP179	[nH]1ncnc1	C288880
PADEL_SubFP179	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP179	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP179	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP179	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP179	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP179	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP179	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP179	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP179	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP179	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP179	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP179	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP179	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP179	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP179	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP179	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP179	OCc1c[nH]c2c1cccc2	C700061
PADEL_SubFP179	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP179	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP179	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP180	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP180	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP180	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP180	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP180	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP180	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP180	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP180	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP180	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP180	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP180	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP180	OCn1nc(C)cc1C	C85264331
PADEL_SubFP180	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP180	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP180	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP180	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP180	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP180	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP180	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP180	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP180	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP180	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP180	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP180	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP180	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP180	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP180	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP180	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP180	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP180	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP180	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP180	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP180	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP180	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP180	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP180	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP180	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP180	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP180	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP180	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP180	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP180	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP180	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP180	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP180	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP180	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP180	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP180	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP180	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP180	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP180	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP180	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP180	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP180	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP180	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP180	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP180	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP180	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP180	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP180	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP180	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP180	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP180	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP180	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP180	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP180	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP180	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP180	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP180	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP180	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP180	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP180	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP180	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP180	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP180	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP180	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP180	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP180	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP180	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP180	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP180	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP180	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP180	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP180	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP180	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP180	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP180	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP180	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP180	Nn1cnnc1	C584134
PADEL_SubFP180	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP180	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP180	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP180	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP180	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP180	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP180	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP180	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP180	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP180	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP180	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP180	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP180	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP180	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP180	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP180	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP180	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP180	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP180	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP180	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP180	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP180	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP180	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP180	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP180	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP180	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP180	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP180	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP180	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP180	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP180	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP180	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP180	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP180	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP180	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP180	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP180	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP180	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP180	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP180	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP180	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP180	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP180	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP181	c1(nc[nH]n1)N	C61825
PADEL_SubFP181	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP181	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP181	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP181	NC(=O)c1cccnc1	C98920
PADEL_SubFP181	OC(=O)c1cccnc1	C59676
PADEL_SubFP181	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP181	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP181	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP181	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP181	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP181	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP181	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP181	c1ccc2ncsc2c1	C95169
PADEL_SubFP181	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP181	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP181	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP181	c12ncccc1ccc1c2nccc1	C66717
PADEL_SubFP181	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP181	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP181	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP181	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP181	n1c[nH]cc1	C288324
PADEL_SubFP181	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP181	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP181	OCn1nc(C)cc1C	C85264331
PADEL_SubFP181	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP181	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP181	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP181	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP181	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP181	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP181	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP181	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP181	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP181	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP181	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP181	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP181	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_SubFP181	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP181	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP181	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP181	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP181	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP181	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP181	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP181	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP181	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP181	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP181	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP181	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP181	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP181	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP181	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP181	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP181	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP181	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP181	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP181	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP181	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP181	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP181	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP181	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP181	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP181	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP181	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP181	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP181	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP181	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP181	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP181	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP181	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP181	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP181	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP181	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP181	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP181	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP181	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP181	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP181	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP181	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP181	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP181	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP181	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP181	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP181	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP181	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP181	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP181	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP181	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP181	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP181	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP181	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP181	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP181	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP181	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP181	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP181	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP181	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP181	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP181	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP181	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP181	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP181	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP181	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP181	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP181	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP181	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP181	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP181	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP181	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP181	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP181	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP181	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP181	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP181	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP181	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP181	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP181	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP181	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP181	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP181	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP181	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP181	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP181	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP181	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP181	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP181	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP181	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP181	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP181	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP181	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP181	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP181	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP181	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP181	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP181	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP181	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP181	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP181	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP181	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP181	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP181	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP181	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP181	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP181	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP181	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP181	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP181	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP181	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP181	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP181	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP181	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP181	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP181	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP181	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP181	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP181	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP181	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP181	Oc1cccc2cccnc12	C148243
PADEL_SubFP181	O=C(c1ccncc1)NN	C54853
PADEL_SubFP181	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP181	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP181	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP181	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP181	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP181	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP181	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP181	n1cccc2c1cccc2	C91225
PADEL_SubFP181	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP181	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP181	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP181	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP181	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP181	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP181	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP181	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP181	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP181	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP181	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP181	N#Cc1cnccc1	C100549
PADEL_SubFP181	[nH]1ncnc1	C288880
PADEL_SubFP181	c1(c2ccncc2)ccncc1	C553264
PADEL_SubFP181	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP181	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP181	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP181	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP181	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP181	Nn1cnnc1	C584134
PADEL_SubFP181	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP181	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP181	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP181	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP181	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP181	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP181	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP181	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP181	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP181	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP181	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP181	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP181	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP181	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP181	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP181	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP181	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP181	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP181	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP181	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP181	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP181	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP181	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP181	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP181	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP181	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP181	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP181	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP181	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP181	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP181	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP181	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP181	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP181	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP181	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP181	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP181	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP181	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP181	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP181	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP181	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP181	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP181	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP181	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP181	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP181	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP181	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP181	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP181	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP181	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP181	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP181	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP181	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP181	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP181	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP181	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP181	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP181	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP181	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP181	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP181	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP181	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP181	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP181	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP181	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP181	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP181	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP181	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP181	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP181	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP181	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP181	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP181	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP181	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP181	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP181	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP181	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP181	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP181	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP181	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP181	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP181	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP181	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP181	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP181	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP181	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP181	n1cc(C)ccc1	C108996
PADEL_SubFP181	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP181	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP181	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP181	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP181	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP181	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP181	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP181	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP181	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP181	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP181	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP181	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP181	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP181	c12ccccc1ccc1c2cccn1	C85029
PADEL_SubFP181	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP181	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP181	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP181	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP181	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP181	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP181	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP181	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP181	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP181	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP181	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP181	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP181	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP181	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP181	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP181	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP181	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP181	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP181	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_SubFP181	Nc1cccc(C)n1	C1824813
PADEL_SubFP181	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP181	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP181	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP182	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP182	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP182	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP182	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP182	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP182	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP182	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP182	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP182	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP182	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP182	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP182	c1c(CO)occ1	C98000
PADEL_SubFP182	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP182	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP182	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP182	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP182	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP182	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP182	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP182	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP182	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP182	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP182	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP182	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP182	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP182	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP182	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP182	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP182	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP182	c1coc2c1cccc2	C271896
PADEL_SubFP182	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP182	O=Cc1ccco1	C98011
PADEL_SubFP182	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP182	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP182	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP182	c1cccc2c3ccccc3oc12	C132649
PADEL_SubFP182	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP182	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP182	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP182	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP182	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP182	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP182	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP182	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP182	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP182	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP182	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP182	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP182	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP182	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP182	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP182	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP182	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP182	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP182	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP182	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP182	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP182	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP182	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP182	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP182	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP182	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP182	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP182	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP182	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP182	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP182	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP182	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP182	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP182	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP182	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP182	CCCCCc1ccco1	C3777693
PADEL_SubFP183	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP183	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP183	c1ccc2ncsc2c1	C95169
PADEL_SubFP183	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP183	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP183	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP183	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP183	c12ccccc1c1c(cccc1)s2	C132650
PADEL_SubFP183	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP183	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP183	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP183	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP183	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP183	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP183	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP183	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP183	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP183	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP183	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP183	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP183	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP183	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP183	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP183	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP183	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP183	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP183	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP183	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP183	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP183	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP183	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP183	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP183	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP183	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP183	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP183	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP183	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP183	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP183	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP183	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP183	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP183	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP183	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP183	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP183	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP183	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_SubFP183	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP183	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP184	c1(nc[nH]n1)N	C61825
PADEL_SubFP184	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP184	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP184	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP184	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP184	c1cccc2[nH]ccc12	C120729
PADEL_SubFP184	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP184	NC(=O)c1cccnc1	C98920
PADEL_SubFP184	OC(=O)c1cccnc1	C59676
PADEL_SubFP184	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP184	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP184	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP184	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP184	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP184	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP184	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP184	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP184	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP184	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP184	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP184	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP184	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP184	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP184	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP184	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP184	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP184	c1ccc2ncsc2c1	C95169
PADEL_SubFP184	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP184	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP184	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP184	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP184	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP184	c1c(CO)occ1	C98000
PADEL_SubFP184	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP184	c12ncccc1ccc1c2nccc1	C66717
PADEL_SubFP184	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP184	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP184	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP184	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP184	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP184	n1c[nH]cc1	C288324
PADEL_SubFP184	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP184	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP184	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP184	OCn1nc(C)cc1C	C85264331
PADEL_SubFP184	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP184	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP184	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP184	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP184	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP184	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP184	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP184	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP184	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP184	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP184	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP184	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP184	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP184	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP184	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP184	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP184	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_SubFP184	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP184	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP184	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP184	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP184	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP184	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP184	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP184	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP184	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP184	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP184	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP184	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP184	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP184	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP184	c12ccccc1c1c(cccc1)s2	C132650
PADEL_SubFP184	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP184	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP184	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP184	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP184	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP184	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP184	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP184	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP184	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP184	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP184	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP184	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP184	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP184	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP184	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP184	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP184	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP184	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP184	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP184	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP184	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP184	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP184	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP184	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP184	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP184	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP184	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP184	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP184	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP184	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP184	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP184	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP184	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP184	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP184	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP184	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP184	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP184	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP184	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP184	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP184	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP184	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP184	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP184	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP184	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP184	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP184	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP184	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP184	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP184	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP184	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP184	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP184	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP184	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP184	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP184	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP184	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP184	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP184	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP184	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP184	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP184	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP184	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP184	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP184	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP184	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP184	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP184	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP184	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP184	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP184	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP184	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP184	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP184	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP184	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP184	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP184	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP184	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP184	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP184	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP184	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP184	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP184	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP184	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP184	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP184	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP184	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP184	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP184	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP184	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP184	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP184	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP184	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP184	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP184	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP184	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP184	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP184	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP184	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP184	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP184	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP184	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP184	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP184	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP184	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP184	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP184	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP184	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP184	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP184	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP184	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP184	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP184	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP184	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP184	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP184	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP184	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP184	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP184	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP184	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP184	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP184	c1coc2c1cccc2	C271896
PADEL_SubFP184	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP184	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP184	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP184	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP184	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP184	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP184	O=Cc1ccco1	C98011
PADEL_SubFP184	Oc1cccc2cccnc12	C148243
PADEL_SubFP184	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP184	O=C(c1ccncc1)NN	C54853
PADEL_SubFP184	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP184	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP184	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP184	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP184	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP184	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP184	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP184	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP184	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP184	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP184	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP184	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP184	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP184	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP184	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP184	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP184	n1cccc2c1cccc2	C91225
PADEL_SubFP184	c1cccc2c3ccccc3oc12	C132649
PADEL_SubFP184	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP184	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP184	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP184	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP184	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP184	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP184	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP184	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP184	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP184	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP184	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP184	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP184	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP184	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP184	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP184	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP184	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP184	N#Cc1cnccc1	C100549
PADEL_SubFP184	[nH]1ncnc1	C288880
PADEL_SubFP184	c1(c2ccncc2)ccncc1	C553264
PADEL_SubFP184	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP184	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP184	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP184	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP184	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP184	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP184	Nn1cnnc1	C584134
PADEL_SubFP184	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP184	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP184	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP184	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP184	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP184	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP184	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP184	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP184	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP184	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP184	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP184	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP184	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP184	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP184	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP184	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP184	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP184	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP184	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP184	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP184	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP184	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP184	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP184	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP184	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP184	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP184	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP184	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP184	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP184	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP184	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP184	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP184	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP184	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP184	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP184	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP184	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP184	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP184	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP184	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP184	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP184	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP184	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP184	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP184	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP184	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP184	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP184	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP184	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP184	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP184	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP184	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP184	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP184	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP184	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP184	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP184	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP184	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP184	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP184	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP184	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP184	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP184	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP184	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP184	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP184	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP184	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP184	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP184	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP184	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP184	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP184	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP184	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP184	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP184	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP184	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP184	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP184	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP184	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP184	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP184	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP184	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP184	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP184	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP184	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP184	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP184	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP184	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP184	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP184	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP184	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP184	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP184	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP184	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP184	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP184	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP184	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP184	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP184	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP184	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP184	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP184	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP184	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP184	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP184	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP184	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP184	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP184	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP184	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP184	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP184	n1cc(C)ccc1	C108996
PADEL_SubFP184	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP184	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP184	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP184	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP184	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP184	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP184	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP184	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP184	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP184	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP184	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP184	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP184	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP184	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP184	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP184	c12ccccc1ccc1c2cccn1	C85029
PADEL_SubFP184	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP184	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP184	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP184	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP184	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP184	OCc1c[nH]c2c1cccc2	C700061
PADEL_SubFP184	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP184	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP184	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP184	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP184	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP184	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP184	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP184	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP184	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_SubFP184	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP184	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP184	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP184	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP184	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP184	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP184	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP184	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP184	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP184	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP184	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP184	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP184	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_SubFP184	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP184	Nc1cccc(C)n1	C1824813
PADEL_SubFP184	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP184	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP184	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP184	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP184	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP184	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP184	CCCCCc1ccco1	C3777693
PADEL_SubFP185	c1(nc[nH]n1)N	C61825
PADEL_SubFP185	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP185	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP185	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP185	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP185	c1cccc2[nH]ccc12	C120729
PADEL_SubFP185	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP185	NC(=O)c1cccnc1	C98920
PADEL_SubFP185	OC(=O)c1cccnc1	C59676
PADEL_SubFP185	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP185	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP185	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP185	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP185	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP185	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP185	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP185	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP185	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP185	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP185	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP185	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP185	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP185	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP185	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP185	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP185	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP185	c1ccc2ncsc2c1	C95169
PADEL_SubFP185	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP185	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP185	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP185	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP185	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP185	c1c(CO)occ1	C98000
PADEL_SubFP185	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP185	c12ncccc1ccc1c2nccc1	C66717
PADEL_SubFP185	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP185	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP185	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP185	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP185	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP185	n1c[nH]cc1	C288324
PADEL_SubFP185	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP185	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP185	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP185	OCn1nc(C)cc1C	C85264331
PADEL_SubFP185	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP185	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP185	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP185	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP185	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP185	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP185	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP185	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP185	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP185	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP185	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP185	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP185	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP185	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP185	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP185	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP185	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_SubFP185	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP185	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP185	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP185	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP185	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP185	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP185	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP185	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP185	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP185	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP185	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP185	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP185	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP185	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP185	c12ccccc1c1c(cccc1)s2	C132650
PADEL_SubFP185	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP185	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP185	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP185	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP185	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP185	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP185	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP185	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP185	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP185	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP185	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP185	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP185	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP185	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP185	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP185	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP185	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP185	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP185	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP185	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP185	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP185	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP185	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP185	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP185	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP185	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP185	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP185	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP185	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP185	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP185	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP185	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP185	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP185	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP185	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP185	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP185	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP185	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP185	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP185	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP185	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP185	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP185	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP185	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP185	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP185	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP185	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP185	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP185	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP185	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP185	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP185	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP185	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP185	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP185	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP185	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP185	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP185	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP185	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP185	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP185	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP185	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP185	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP185	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP185	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP185	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP185	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP185	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP185	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP185	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP185	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP185	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP185	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP185	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP185	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP185	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP185	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP185	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP185	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP185	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP185	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP185	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP185	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP185	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP185	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP185	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP185	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP185	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP185	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP185	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP185	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP185	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP185	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP185	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP185	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP185	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP185	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP185	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP185	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP185	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP185	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP185	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP185	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP185	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP185	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP185	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP185	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP185	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP185	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP185	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP185	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP185	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP185	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP185	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP185	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP185	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP185	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP185	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP185	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP185	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP185	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP185	c1coc2c1cccc2	C271896
PADEL_SubFP185	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP185	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP185	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP185	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP185	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP185	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP185	O=Cc1ccco1	C98011
PADEL_SubFP185	Oc1cccc2cccnc12	C148243
PADEL_SubFP185	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP185	O=C(c1ccncc1)NN	C54853
PADEL_SubFP185	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP185	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP185	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP185	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP185	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP185	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP185	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP185	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP185	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP185	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP185	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP185	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP185	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP185	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP185	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP185	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP185	n1cccc2c1cccc2	C91225
PADEL_SubFP185	c1cccc2c3ccccc3oc12	C132649
PADEL_SubFP185	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP185	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP185	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP185	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP185	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP185	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP185	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP185	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP185	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP185	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP185	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP185	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP185	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP185	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP185	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP185	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP185	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP185	N#Cc1cnccc1	C100549
PADEL_SubFP185	[nH]1ncnc1	C288880
PADEL_SubFP185	c1(c2ccncc2)ccncc1	C553264
PADEL_SubFP185	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP185	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP185	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP185	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP185	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP185	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP185	Nn1cnnc1	C584134
PADEL_SubFP185	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP185	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP185	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP185	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP185	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP185	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP185	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP185	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP185	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP185	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP185	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP185	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP185	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP185	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP185	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP185	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP185	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP185	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP185	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP185	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP185	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP185	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP185	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP185	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP185	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP185	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP185	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP185	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP185	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP185	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP185	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP185	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP185	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP185	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP185	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP185	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP185	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP185	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP185	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP185	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP185	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP185	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP185	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP185	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP185	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP185	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP185	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP185	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP185	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP185	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP185	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP185	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP185	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP185	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP185	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP185	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP185	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP185	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP185	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP185	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP185	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP185	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP185	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP185	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP185	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP185	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP185	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP185	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP185	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP185	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP185	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP185	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP185	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP185	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP185	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP185	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP185	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP185	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP185	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP185	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP185	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP185	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP185	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP185	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP185	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP185	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP185	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP185	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP185	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP185	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP185	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP185	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP185	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP185	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP185	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP185	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP185	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP185	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP185	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP185	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP185	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP185	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP185	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP185	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP185	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP185	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP185	n1cc(C)ccc1	C108996
PADEL_SubFP185	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP185	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP185	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP185	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP185	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP185	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP185	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP185	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP185	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP185	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP185	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP185	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP185	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP185	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP185	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP185	c12ccccc1ccc1c2cccn1	C85029
PADEL_SubFP185	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP185	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP185	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP185	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP185	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP185	OCc1c[nH]c2c1cccc2	C700061
PADEL_SubFP185	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP185	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP185	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP185	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP185	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP185	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP185	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP185	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP185	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_SubFP185	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP185	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP185	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP185	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP185	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP185	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP185	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP185	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP185	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP185	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP185	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP185	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP185	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_SubFP185	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP185	Nc1cccc(C)n1	C1824813
PADEL_SubFP185	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP185	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP185	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP185	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP185	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP185	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP185	CCCCCc1ccco1	C3777693
PADEL_SubFP189	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_SubFP190	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_SubFP190	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP195	CN(C(=O)N)N=O	C684935
PADEL_SubFP209	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP209	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP209	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP209	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP209	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP209	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP209	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP209	O=S(=O)(N)O	C5329146
PADEL_SubFP209	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP209	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP209	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP209	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP209	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP209	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP209	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP209	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP209	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP209	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP209	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP209	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP209	O=S(=O)(OC)OC	C77781
PADEL_SubFP209	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP209	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP209	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP209	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP209	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP209	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP209	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP210	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP210	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP210	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP210	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP210	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP210	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP210	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP210	O=S(=O)(N)O	C5329146
PADEL_SubFP210	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP210	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP210	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP210	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP210	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP210	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP210	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP210	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP210	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP210	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP210	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP210	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP210	O=S(=O)(OC)OC	C77781
PADEL_SubFP210	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP210	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP210	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP210	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP210	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP210	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP210	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP211	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP211	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP211	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP211	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP211	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP211	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP211	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP211	O=S(=O)(N)O	C5329146
PADEL_SubFP211	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP211	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP211	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP211	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP211	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP211	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP211	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP211	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP211	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP211	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP211	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP211	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP211	O=S(=O)(OC)OC	C77781
PADEL_SubFP211	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP211	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP211	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP211	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP211	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP211	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP211	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP212	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP212	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP212	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP212	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP212	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP212	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP212	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP212	O=S(=O)(N)O	C5329146
PADEL_SubFP212	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP212	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP212	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP212	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP212	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP212	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP212	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP212	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP212	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP212	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP212	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP212	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP212	O=S(=O)(OC)OC	C77781
PADEL_SubFP212	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP212	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP212	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP212	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP212	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP212	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP212	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP213	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP213	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP213	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP213	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP213	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP213	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP213	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP213	O=S(=O)(N)O	C5329146
PADEL_SubFP213	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP213	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP213	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP213	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP213	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP213	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP213	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP213	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP213	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP213	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP213	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP213	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP213	O=S(=O)(OC)OC	C77781
PADEL_SubFP213	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP213	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP213	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP213	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP213	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP213	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP213	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP214	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP214	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP214	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP214	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP214	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP214	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP214	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP214	O=S(=O)(N)O	C5329146
PADEL_SubFP214	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP214	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP214	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP214	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP214	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP214	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP214	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP214	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP214	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP214	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP214	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP214	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP214	O=S(=O)(OC)OC	C77781
PADEL_SubFP214	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP214	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP214	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP214	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP214	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP214	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP214	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP215	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP215	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP215	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP215	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP215	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP215	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP215	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP215	O=S(=O)(N)O	C5329146
PADEL_SubFP215	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP215	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP215	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP215	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP215	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP215	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP215	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP215	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP215	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP215	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP215	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP215	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP215	O=S(=O)(OC)OC	C77781
PADEL_SubFP215	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP215	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP215	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP215	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP215	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP215	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP215	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP216	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP216	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP216	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP216	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP216	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP216	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP216	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP216	O=S(=O)(N)O	C5329146
PADEL_SubFP216	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP216	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP216	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP216	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP216	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP216	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP216	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP216	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP216	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP216	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP216	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP216	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP216	O=S(=O)(OC)OC	C77781
PADEL_SubFP216	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP216	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP216	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP216	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP216	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP216	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP216	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP217	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP217	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP217	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP217	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP217	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP217	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP217	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP217	O=S(=O)(N)O	C5329146
PADEL_SubFP217	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP217	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP217	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP217	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP217	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP217	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP217	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP217	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP217	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP217	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP217	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP217	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP217	O=S(=O)(OC)OC	C77781
PADEL_SubFP217	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP217	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP217	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP217	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP217	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP217	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP217	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP218	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP218	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP218	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP218	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP218	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP218	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP218	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP218	O=S(=O)(N)O	C5329146
PADEL_SubFP218	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP218	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP218	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP218	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP218	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP218	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP218	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP218	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP218	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP218	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP218	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP218	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP218	O=S(=O)(OC)OC	C77781
PADEL_SubFP218	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP218	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP218	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP218	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP218	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP218	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP218	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP219	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP219	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP219	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP219	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP219	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP219	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP219	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP219	O=S(=O)(N)O	C5329146
PADEL_SubFP219	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP219	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP219	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP219	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP219	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP219	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP219	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP219	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP219	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP219	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP219	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP219	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP219	O=S(=O)(OC)OC	C77781
PADEL_SubFP219	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP219	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP219	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP219	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP219	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP219	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP219	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP246	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP246	O=P(OC)(OC)OC	C512561
PADEL_SubFP246	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP246	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP246	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP246	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP246	OP(=O)(O)O	C7664382
PADEL_SubFP246	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP246	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP246	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP246	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP246	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP246	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP246	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP246	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP246	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP246	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP246	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP246	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP246	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP246	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP246	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP246	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP246	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP246	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP246	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP246	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP246	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP246	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP246	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP246	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP246	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP246	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP246	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP246	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP246	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP246	NP(=O)(OC)SC	C10265926
PADEL_SubFP246	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP246	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP246	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP246	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP246	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP246	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP246	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP246	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP246	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP246	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP246	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP246	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP246	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP246	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP246	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP246	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP246	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP246	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP246	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP246	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP246	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP246	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP246	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP246	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP246	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP246	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP246	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP246	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP246	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP246	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP246	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP246	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP246	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP246	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP246	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP246	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP246	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP246	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP246	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP246	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP247	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP247	O=P(OC)(OC)OC	C512561
PADEL_SubFP247	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP247	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP247	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP247	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP247	OP(=O)(O)O	C7664382
PADEL_SubFP247	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP247	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP247	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP247	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP247	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP247	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP247	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP247	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP247	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP247	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP247	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP247	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP247	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP247	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP247	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP247	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP247	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP247	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP247	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP247	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP247	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP247	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP247	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP247	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP247	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP247	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP247	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP247	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP247	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP247	NP(=O)(OC)SC	C10265926
PADEL_SubFP247	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP247	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP247	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP247	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP247	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP247	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP247	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP247	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP247	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP247	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP247	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP247	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP247	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP247	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP247	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP247	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP247	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP247	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP247	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP247	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP247	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP247	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP247	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP247	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP247	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP247	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP247	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP247	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP247	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP247	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP247	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP247	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP247	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP247	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP247	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP247	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP247	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP247	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP247	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP247	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP248	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP248	O=P(OC)(OC)OC	C512561
PADEL_SubFP248	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP248	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP248	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP248	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP248	OP(=O)(O)O	C7664382
PADEL_SubFP248	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP248	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP248	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP248	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP248	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP248	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP248	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP248	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP248	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP248	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP248	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP248	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP248	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP248	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP248	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP248	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP248	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP248	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP248	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP248	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP248	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP248	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP248	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP248	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP248	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP248	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP248	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP248	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP248	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP248	NP(=O)(OC)SC	C10265926
PADEL_SubFP248	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP248	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP248	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP248	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP248	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP248	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP248	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP248	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP248	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP248	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP248	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP248	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP248	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP248	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP248	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP248	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP248	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP248	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP248	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP248	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP248	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP248	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP248	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP248	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP248	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP248	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP248	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP248	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP248	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP248	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP248	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP248	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP248	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP248	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP248	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP248	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP248	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP248	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP248	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP248	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP249	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP249	O=P(OC)(OC)OC	C512561
PADEL_SubFP249	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP249	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP249	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP249	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP249	OP(=O)(O)O	C7664382
PADEL_SubFP249	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP249	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP249	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP249	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP249	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP249	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP249	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP249	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP249	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP249	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP249	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP249	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP249	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP249	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP249	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP249	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP249	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP249	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP249	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP249	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP249	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP249	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP249	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP249	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP249	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP249	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP249	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP249	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP249	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP249	NP(=O)(OC)SC	C10265926
PADEL_SubFP249	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP249	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP249	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP249	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP249	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP249	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP249	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP249	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP249	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP249	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP249	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP249	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP249	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP249	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP249	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP249	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP249	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP249	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP249	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP249	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP249	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP249	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP249	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP249	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP249	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP249	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP249	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP249	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP249	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP249	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP249	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP249	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP249	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP249	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP249	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP249	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP249	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP249	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP249	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP249	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP250	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP250	O=P(OC)(OC)OC	C512561
PADEL_SubFP250	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP250	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP250	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP250	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP250	OP(=O)(O)O	C7664382
PADEL_SubFP250	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP250	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP250	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP250	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP250	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP250	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP250	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP250	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP250	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP250	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP250	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP250	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP250	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP250	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP250	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP250	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP250	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP250	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP250	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP250	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP250	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP250	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP250	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP250	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP250	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP250	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP250	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP250	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP250	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP250	NP(=O)(OC)SC	C10265926
PADEL_SubFP250	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP250	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP250	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP250	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP250	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP250	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP250	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP250	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP250	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP250	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP250	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP250	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP250	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP250	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP250	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP250	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP250	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP250	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP250	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP250	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP250	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP250	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP250	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP250	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP250	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP250	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP250	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP250	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP250	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP250	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP250	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP250	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP250	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP250	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP250	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP250	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP250	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP250	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP250	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP250	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP251	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP251	O=P(OC)(OC)OC	C512561
PADEL_SubFP251	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP251	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP251	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP251	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP251	OP(=O)(O)O	C7664382
PADEL_SubFP251	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP251	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP251	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP251	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP251	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP251	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP251	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP251	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP251	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP251	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP251	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP251	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP251	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP251	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP251	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP251	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP251	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP251	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP251	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP251	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP251	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP251	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP251	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP251	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP251	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP251	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP251	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP251	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP251	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP251	NP(=O)(OC)SC	C10265926
PADEL_SubFP251	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP251	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP251	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP251	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP251	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP251	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP251	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP251	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP251	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP251	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP251	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP251	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP251	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP251	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP251	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP251	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP251	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP251	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP251	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP251	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP251	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP251	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP251	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP251	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP251	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP251	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP251	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP251	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP251	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP251	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP251	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP251	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP251	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP251	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP251	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP251	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP251	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP251	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP251	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP251	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP252	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP252	O=P(OC)(OC)OC	C512561
PADEL_SubFP252	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP252	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP252	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP252	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP252	OP(=O)(O)O	C7664382
PADEL_SubFP252	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP252	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP252	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP252	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP252	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP252	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP252	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP252	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP252	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP252	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP252	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP252	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP252	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP252	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP252	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP252	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP252	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP252	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP252	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP252	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP252	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP252	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP252	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP252	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP252	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP252	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP252	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP252	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP252	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP252	NP(=O)(OC)SC	C10265926
PADEL_SubFP252	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP252	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP252	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP252	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP252	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP252	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP252	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP252	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP252	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP252	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP252	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP252	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP252	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP252	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP252	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP252	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP252	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP252	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP252	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP252	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP252	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP252	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP252	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP252	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP252	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP252	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP252	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP252	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP252	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP252	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP252	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP252	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP252	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP252	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP252	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP252	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP252	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP252	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP252	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP252	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP253	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP253	O=P(OC)(OC)OC	C512561
PADEL_SubFP253	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP253	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP253	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP253	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP253	OP(=O)(O)O	C7664382
PADEL_SubFP253	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP253	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP253	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP253	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP253	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP253	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP253	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP253	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP253	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP253	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP253	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP253	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP253	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP253	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP253	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP253	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP253	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP253	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP253	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP253	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP253	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP253	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP253	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP253	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP253	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP253	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP253	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP253	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP253	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP253	NP(=O)(OC)SC	C10265926
PADEL_SubFP253	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP253	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP253	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP253	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP253	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP253	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP253	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP253	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP253	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP253	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP253	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP253	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP253	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP253	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP253	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP253	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP253	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP253	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP253	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP253	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP253	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP253	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP253	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP253	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP253	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP253	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP253	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP253	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP253	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP253	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP253	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP253	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP253	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP253	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP253	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP253	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP253	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP253	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP253	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP253	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP254	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP254	O=P(OC)(OC)OC	C512561
PADEL_SubFP254	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP254	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP254	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP254	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP254	OP(=O)(O)O	C7664382
PADEL_SubFP254	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP254	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP254	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP254	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP254	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP254	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP254	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP254	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP254	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP254	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP254	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP254	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP254	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP254	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP254	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP254	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP254	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP254	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP254	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP254	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP254	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP254	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP254	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP254	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP254	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP254	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP254	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP254	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP254	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP254	NP(=O)(OC)SC	C10265926
PADEL_SubFP254	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP254	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP254	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP254	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP254	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP254	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP254	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP254	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP254	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP254	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP254	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP254	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP254	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP254	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP254	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP254	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP254	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP254	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP254	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP254	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP254	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP254	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP254	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP254	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP254	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP254	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP254	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP254	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP254	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP254	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP254	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP254	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP254	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP254	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP254	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP254	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP254	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP254	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP254	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP254	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP255	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP255	O=P(OC)(OC)OC	C512561
PADEL_SubFP255	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP255	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP255	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP255	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP255	OP(=O)(O)O	C7664382
PADEL_SubFP255	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP255	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP255	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP255	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP255	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP255	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP255	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP255	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP255	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP255	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP255	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP255	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP255	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP255	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP255	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP255	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP255	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP255	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP255	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP255	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP255	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP255	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP255	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP255	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP255	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP255	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP255	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP255	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP255	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP255	NP(=O)(OC)SC	C10265926
PADEL_SubFP255	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP255	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP255	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP255	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP255	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP255	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP255	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP255	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP255	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP255	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP255	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP255	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP255	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP255	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP255	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP255	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP255	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP255	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP255	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP255	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP255	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP255	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP255	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP255	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP255	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP255	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP255	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP255	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP255	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP255	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP255	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP255	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP255	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP255	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP255	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP255	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP255	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP255	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP255	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP255	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP256	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP256	O=P(OC)(OC)OC	C512561
PADEL_SubFP256	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP256	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP256	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP256	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP256	OP(=O)(O)O	C7664382
PADEL_SubFP256	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP256	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP256	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP256	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP256	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP256	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP256	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP256	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP256	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP256	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP256	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP256	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP256	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP256	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP256	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP256	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP256	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP256	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP256	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP256	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP256	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP256	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP256	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP256	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP256	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP256	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP256	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP256	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP256	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP256	NP(=O)(OC)SC	C10265926
PADEL_SubFP256	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP256	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP256	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP256	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP256	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP256	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP256	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP256	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP256	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP256	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP256	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP256	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP256	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP256	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP256	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP256	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP256	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP256	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP256	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP256	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP256	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP256	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP256	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP256	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP256	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP256	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP256	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP256	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP256	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP256	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP256	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP256	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP256	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP256	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP256	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP256	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP256	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP256	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP256	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP256	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP257	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP257	O=P(OC)(OC)OC	C512561
PADEL_SubFP257	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP257	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP257	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP257	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP257	OP(=O)(O)O	C7664382
PADEL_SubFP257	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP257	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP257	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP257	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP257	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP257	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP257	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP257	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP257	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP257	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP257	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP257	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP257	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP257	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP257	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP257	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP257	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP257	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP257	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP257	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP257	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP257	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP257	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP257	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP257	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP257	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP257	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP257	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP257	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP257	NP(=O)(OC)SC	C10265926
PADEL_SubFP257	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP257	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP257	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP257	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP257	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP257	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP257	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP257	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP257	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP257	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP257	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP257	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP257	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP257	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP257	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP257	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP257	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP257	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP257	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP257	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP257	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP257	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP257	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP257	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP257	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP257	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP257	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP257	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP257	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP257	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP257	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP257	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP257	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP257	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP257	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP257	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP257	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP257	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP257	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP257	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP262	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP265	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_SubFP265	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_SubFP265	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_SubFP265	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_SubFP265	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_SubFP265	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_SubFP266	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_SubFP266	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_SubFP266	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_SubFP266	CO[Si](C)(C)OC	C1112396
PADEL_SubFP266	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_SubFP266	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_SubFP266	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_SubFP267	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_SubFP267	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_SubFP267	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_SubFP267	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_SubFP267	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP267	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_SubFP267	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_SubFP267	CCO[Si](OCC)(OCC)CC	C78079
PADEL_SubFP267	CCO[Si](OCC)(C)OCC	C2031676
PADEL_SubFP267	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_SubFP267	CO[Si](OC)(CCC)OC	C1067250
PADEL_SubFP267	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP268	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_SubFP269	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PADEL_SubFP270	OB(O)O	C10043353
PADEL_SubFP271	OB(O)O	C10043353
PADEL_SubFP273	F[B-](F)(F)F.[Na+]	C13755298
PADEL_SubFP274	c1(nc[nH]n1)N	C61825
PADEL_SubFP274	Nc1ccccc1.Cl	C142041
PADEL_SubFP274	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_SubFP274	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_SubFP274	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP274	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_SubFP274	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_SubFP274	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP274	CC(=O)OCc1ccccc1	C140114
PADEL_SubFP274	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_SubFP274	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP274	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP274	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_SubFP274	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_SubFP274	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_SubFP274	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP274	Clc1c(ccc(c1)N)C	C95749
PADEL_SubFP274	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_SubFP274	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_SubFP274	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_SubFP274	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_SubFP274	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP274	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_SubFP274	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_SubFP274	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_SubFP274	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_SubFP274	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP274	C=CCc1ccc(cc1)OC	C140670
PADEL_SubFP274	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP274	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_SubFP274	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP274	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP274	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_SubFP274	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP274	c1cccc2[nH]ccc12	C120729
PADEL_SubFP274	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP274	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP274	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP274	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_SubFP274	COc1ccc(cc1)O	C150765
PADEL_SubFP274	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_SubFP274	C=Cc1ccc(cc1)C	C622979
PADEL_SubFP274	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_SubFP274	NC(=O)c1cccnc1	C98920
PADEL_SubFP274	OC(=O)c1cccnc1	C59676
PADEL_SubFP274	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_SubFP274	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP274	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_SubFP274	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_SubFP274	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP274	Nc1ccc(cc1)N	C106503
PADEL_SubFP274	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_SubFP274	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP274	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP274	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP274	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP274	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_SubFP274	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_SubFP274	Nc1ccccc1C.Cl	C636215
PADEL_SubFP274	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_SubFP274	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP274	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP274	O=CCc1ccccc1	C122781
PADEL_SubFP274	c1(O)ccccc1C(=O)N	C65452
PADEL_SubFP274	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_SubFP274	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP274	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_SubFP274	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP274	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP274	O=Cc1ccccc1O	C90028
PADEL_SubFP274	Oc1cccc2ccccc12	C90153
PADEL_SubFP274	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_SubFP274	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_SubFP274	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_SubFP274	c1ccccc1Oc1ccccc1	C101848
PADEL_SubFP274	Nc1ccc(CCCC)cc1	C104132
PADEL_SubFP274	Oc1ccc(Cl)cc1	C106489
PADEL_SubFP274	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_SubFP274	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_SubFP274	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_SubFP274	Oc1ccc(CC)cc1	C123079
PADEL_SubFP274	COc1ccc(OC)cc1	C150787
PADEL_SubFP274	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP274	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP274	Oc1ccc(CCC)cc1	C645567
PADEL_SubFP274	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_SubFP274	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP274	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP274	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_SubFP274	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_SubFP274	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_SubFP274	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_SubFP274	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP274	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP274	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP274	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP274	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP274	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_SubFP274	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP274	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP274	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP274	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_SubFP274	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_SubFP274	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_SubFP274	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_SubFP274	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_SubFP274	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP274	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_SubFP274	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP274	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_SubFP274	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_SubFP274	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_SubFP274	c1(c(CC)cccc1)O	C90006
PADEL_SubFP274	c1c(O)cccc1CC	C620177
PADEL_SubFP274	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_SubFP274	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_SubFP274	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_SubFP274	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_SubFP274	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP274	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_SubFP274	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_SubFP274	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_SubFP274	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP274	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP274	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_SubFP274	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP274	c1cccc(OC)c1O	C90051
PADEL_SubFP274	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP274	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP274	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP274	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP274	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP274	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_SubFP274	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP274	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_SubFP274	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP274	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP274	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_SubFP274	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP274	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP274	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP274	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_SubFP274	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_SubFP274	Cc1cc(O)ccc1	C108394
PADEL_SubFP274	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP274	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_SubFP274	c1ccc2ncsc2c1	C95169
PADEL_SubFP274	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_SubFP274	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_SubFP274	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_SubFP274	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_SubFP274	O=C/C=C/c1ccccc1	C14371109
PADEL_SubFP274	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP274	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_SubFP274	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP274	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP274	Oc1cc(Cl)ccc1Cl	C583788
PADEL_SubFP274	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_SubFP274	N(C)(C)c1cccc(O)c1	C99070
PADEL_SubFP274	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_SubFP274	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP274	Cc1c(C)cccc1O	C526750
PADEL_SubFP274	Cc1cc(C)cc(O)c1	C108689
PADEL_SubFP274	C=Cc1ccccc1C=C	C1321740
PADEL_SubFP274	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP274	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP274	O=C(OCC)c1c(N)cccc1	C87252
PADEL_SubFP274	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP274	c1c(CO)occ1	C98000
PADEL_SubFP274	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_SubFP274	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_SubFP274	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP274	O=C(C)C=Cc1ccccc1	C122576
PADEL_SubFP274	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP274	c12ncccc1ccc1c2nccc1	C66717
PADEL_SubFP274	O(c1ccc(N)cc1)CC	C156434
PADEL_SubFP274	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_SubFP274	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_SubFP274	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP274	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP274	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_SubFP274	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_SubFP274	c12ccccc1CCCC2	C119642
PADEL_SubFP274	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP274	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_SubFP274	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP274	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PADEL_SubFP274	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_SubFP274	Cc1cccc(C)c1	C108383
PADEL_SubFP274	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP274	OCCc1ccccc1	C60128
PADEL_SubFP274	O=C(O)c1ccccc1O	C69727
PADEL_SubFP274	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_SubFP274	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_SubFP274	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_SubFP274	O=C(O)c1ccc(O)cc1	C99967
PADEL_SubFP274	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_SubFP274	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP274	Sc1ccccc1	C108985
PADEL_SubFP274	O=Cc1ccc(OC)cc1	C123115
PADEL_SubFP274	Oc1ccc2ccccc2c1	C135193
PADEL_SubFP274	[O-]c1ccccc1.[Na+]	C139026
PADEL_SubFP274	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_SubFP274	Brc1ccc(F)cc1	C460004
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_SubFP274	ClP(c1ccccc1)Cl	C644973
PADEL_SubFP274	OC(C)COc1ccccc1	C770354
PADEL_SubFP274	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PADEL_SubFP274	Nc1cccc(C)c1C	C1300738
PADEL_SubFP274	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_SubFP274	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_SubFP274	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_SubFP274	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP274	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP274	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_SubFP274	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_SubFP274	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_SubFP274	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_SubFP274	Nc1c(C)cccc1CC	C24549062
PADEL_SubFP274	Clc1cccc(C)c1	C25168052
PADEL_SubFP274	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_SubFP274	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP274	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP274	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP274	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_SubFP274	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_SubFP274	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_SubFP274	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_SubFP274	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_SubFP274	Cc1cc(C)c(C)cc1C	C95932
PADEL_SubFP274	O=C(c1ccc(O)cc1)C	C99934
PADEL_SubFP274	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_SubFP274	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_SubFP274	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_SubFP274	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_SubFP274	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_SubFP274	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_SubFP274	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_SubFP274	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_SubFP274	n1c[nH]cc1	C288324
PADEL_SubFP274	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP274	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_SubFP274	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_SubFP274	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP274	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_SubFP274	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP274	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_SubFP274	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_SubFP274	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP274	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_SubFP274	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP274	OCn1nc(C)cc1C	C85264331
PADEL_SubFP274	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP274	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP274	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP274	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_SubFP274	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP274	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP274	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_SubFP274	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP274	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP274	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP274	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP274	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP274	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP274	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_SubFP274	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP274	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP274	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP274	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_SubFP274	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP274	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_SubFP274	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP274	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP274	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP274	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP274	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP274	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP274	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP274	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP274	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP274	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_SubFP274	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_SubFP274	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP274	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP274	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP274	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP274	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP274	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP274	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP274	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_SubFP274	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP274	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP274	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_SubFP274	Cc1ccc(C)c2c1cccc2	C571584
PADEL_SubFP274	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP274	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP274	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP274	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_SubFP274	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_SubFP274	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP274	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_SubFP274	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_SubFP274	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_SubFP274	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_SubFP274	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_SubFP274	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_SubFP274	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_SubFP274	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_SubFP274	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP274	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_SubFP274	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_SubFP274	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP274	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP274	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP274	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_SubFP274	O=C(c1ccccc1O)C	C118934
PADEL_SubFP274	O=C(CBr)OCc1ccccc1	C5437456
PADEL_SubFP274	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP274	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_SubFP274	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP274	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_SubFP274	Nc1ccc(CCCCC)cc1	C33228443
PADEL_SubFP274	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_SubFP274	O=C(OCC)c1c(C)cccc1	C87241
PADEL_SubFP274	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_SubFP274	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP274	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP274	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_SubFP274	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP274	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP274	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_SubFP274	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_SubFP274	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_SubFP274	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_SubFP274	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_SubFP274	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_SubFP274	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_SubFP274	Oc1ccccc1CN(C)C	C120650
PADEL_SubFP274	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_SubFP274	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_SubFP274	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_SubFP274	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_SubFP274	O=C(Nc1ccccc1)CCl	C587655
PADEL_SubFP274	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP274	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP274	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP274	OCC=Cc1ccccc1	C104541
PADEL_SubFP274	CCC(c1ccccc1)CCC	C4468422
PADEL_SubFP274	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP274	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP274	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP274	O=C(C)OC(C)c1ccccc1	C93925
PADEL_SubFP274	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP274	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_SubFP274	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP274	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP274	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_SubFP274	N#Cc1c(O)cccc1	C611201
PADEL_SubFP274	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_SubFP274	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_SubFP274	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP274	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP274	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP274	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP274	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP274	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP274	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP274	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP274	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_SubFP274	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP274	c1(Cc2ccccc2)ccccc1	C101815
PADEL_SubFP274	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP274	c12ccccc1CC=C2	C95136
PADEL_SubFP274	Oc1cc(C(C)C)ccc1C	C499752
PADEL_SubFP274	c1([Hg]c2ccccc2)ccccc1	C587859
PADEL_SubFP274	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP274	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP274	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_SubFP274	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_SubFP274	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_SubFP274	Oc1c(OCC)cccc1	C94713
PADEL_SubFP274	Oc1ccc(C(C)C)cc1	C99898
PADEL_SubFP274	COc1ccc(CCC)cc1	C104450
PADEL_SubFP274	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP274	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP274	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP274	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP274	OC(CO)c1ccccc1	C93561
PADEL_SubFP274	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP274	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_SubFP274	O=C(N)Nc1ccccc1	C64108
PADEL_SubFP274	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP274	Oc1c(C(C)C)cccc1	C88697
PADEL_SubFP274	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_SubFP274	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_SubFP274	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP274	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP274	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP274	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP274	Oc1cc(C(C)C)ccc1	C618451
PADEL_SubFP274	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP274	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP274	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP274	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP274	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP274	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_SubFP274	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_SubFP274	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_SubFP274	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP274	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP274	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP274	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP274	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_SubFP274	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_SubFP274	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_SubFP274	Oc1ccc(CCCC)cc1	C1638228
PADEL_SubFP274	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP274	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP274	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_SubFP274	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_SubFP274	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_SubFP274	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP274	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_SubFP274	c12ccccc1c1c(cccc1)s2	C132650
PADEL_SubFP274	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_SubFP274	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_SubFP274	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_SubFP274	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP274	Nc1ccc(CCC)cc1	C2696846
PADEL_SubFP274	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_SubFP274	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_SubFP274	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_SubFP274	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_SubFP274	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP274	Sc1ccc(C)cc1	C106456
PADEL_SubFP274	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP274	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_SubFP274	Clc1ccc(CCCC)cc1	C15499271
PADEL_SubFP274	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_SubFP274	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_SubFP274	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_SubFP274	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_SubFP274	Nc1ccc(cc1)OCCCC	C4344552
PADEL_SubFP274	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_SubFP274	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_SubFP274	O=C(c1ccccc1)C(C)C	C611701
PADEL_SubFP274	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP274	Clc1ccc(CCCCC)cc1	C79098207
PADEL_SubFP274	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP274	O=C(OC)c1c(C)cccc1	C89714
PADEL_SubFP274	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_SubFP274	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_SubFP274	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_SubFP274	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP274	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP274	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP274	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_SubFP274	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP274	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP274	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_SubFP274	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP274	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP274	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_SubFP274	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP274	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_SubFP274	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_SubFP274	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP274	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_SubFP274	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_SubFP274	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP274	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP274	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP274	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP274	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP274	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP274	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP274	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP274	Oc1c(cccc1)c1ccccc1	C90437
PADEL_SubFP274	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP274	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_SubFP274	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP274	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP274	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP274	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP274	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_SubFP274	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP274	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_SubFP274	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP274	c1ccccc1Nc1ccccc1	C122394
PADEL_SubFP274	c1ccccc1OCCO	C122996
PADEL_SubFP274	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_SubFP274	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP274	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_SubFP274	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_SubFP274	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP274	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_SubFP274	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP274	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_SubFP274	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP274	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_SubFP274	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_SubFP274	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP274	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_SubFP274	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP274	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_SubFP274	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP274	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP274	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP274	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP274	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP274	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP274	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP274	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_SubFP274	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP274	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP274	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP274	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP274	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_SubFP274	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_SubFP274	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP274	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP274	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_SubFP274	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP274	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP274	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP274	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP274	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP274	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP274	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_SubFP274	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_SubFP274	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP274	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_SubFP274	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP274	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP274	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP274	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP274	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP274	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP274	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP274	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP274	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP274	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP274	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP274	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP274	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_SubFP274	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP274	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP274	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP274	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP274	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP274	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP274	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP274	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP274	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_SubFP274	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_SubFP274	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP274	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP274	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP274	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP274	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP274	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP274	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP274	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP274	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_SubFP274	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP274	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_SubFP274	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP274	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP274	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP274	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP274	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP274	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP274	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP274	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP274	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP274	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP274	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP274	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP274	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP274	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP274	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP274	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP274	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_SubFP274	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP274	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP274	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP274	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP274	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP274	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP274	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP274	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP274	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP274	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP274	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP274	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP274	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP274	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP274	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP274	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP274	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP274	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP274	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP274	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_SubFP274	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP274	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_SubFP274	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP274	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_SubFP274	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP274	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP274	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_SubFP274	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP274	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP274	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP274	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP274	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP274	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP274	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP274	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP274	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP274	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP274	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP274	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP274	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP274	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_SubFP274	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP274	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP274	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP274	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP274	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP274	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP274	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP274	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_SubFP274	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_SubFP274	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP274	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP274	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP274	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP274	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_SubFP274	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP274	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_SubFP274	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP274	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP274	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP274	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP274	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP274	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP274	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP274	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP274	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP274	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP274	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP274	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP274	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP274	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP274	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP274	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP274	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP274	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP274	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP274	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP274	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP274	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP274	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP274	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP274	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP274	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_SubFP274	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP274	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP274	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP274	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP274	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP274	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP274	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP274	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP274	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_SubFP274	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_SubFP274	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP274	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP274	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP274	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_SubFP274	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_SubFP274	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_SubFP274	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_SubFP274	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_SubFP274	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP274	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_SubFP274	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP274	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_SubFP274	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP274	c1coc2c1cccc2	C271896
PADEL_SubFP274	OC(=O)c1ccccc1	C65850
PADEL_SubFP274	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_SubFP274	OCc1ccccc1	C100516
PADEL_SubFP274	c1c(cccc1)c1ccccc1	C92524
PADEL_SubFP274	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP274	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_SubFP274	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP274	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_SubFP274	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_SubFP274	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP274	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP274	Oc1c(cccc1)O	C120809
PADEL_SubFP274	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_SubFP274	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP274	Nc1c(ccc(c1)Cl)N	C95830
PADEL_SubFP274	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP274	O=C(c1ccccc1)CCl	C532274
PADEL_SubFP274	Nc1ccc(cc1)Cl	C106478
PADEL_SubFP274	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_SubFP274	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP274	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_SubFP274	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP274	Nc1cc(ccc1OC)C	C120718
PADEL_SubFP274	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_SubFP274	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_SubFP274	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_SubFP274	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_SubFP274	Nc1c(ccc(c1)N)C	C95807
PADEL_SubFP274	Clc1c(cccc1)Cl	C95501
PADEL_SubFP274	Clc1ccc(cc1)Cl	C106467
PADEL_SubFP274	Clc1c(ccc(c1)Cl)O	C120832
PADEL_SubFP274	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP274	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_SubFP274	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_SubFP274	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP274	CN(c1ccccc1)C	C121697
PADEL_SubFP274	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_SubFP274	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP274	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP274	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP274	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_SubFP274	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP274	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_SubFP274	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_SubFP274	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP274	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP274	O=Cc1ccco1	C98011
PADEL_SubFP274	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP274	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_SubFP274	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_SubFP274	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_SubFP274	Oc1ccc(cc1)O	C123319
PADEL_SubFP274	Oc1cccc2cccnc12	C148243
PADEL_SubFP274	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP274	O=C(c1ccncc1)NN	C54853
PADEL_SubFP274	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP274	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP274	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP274	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_SubFP274	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_SubFP274	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_SubFP274	Cc1c2c(ccc1)cccc2	C90120
PADEL_SubFP274	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP274	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP274	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_SubFP274	c1c2c(ccc1)cccc2	C91203
PADEL_SubFP274	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_SubFP274	Nc1cc2c(cccc2)cc1	C91598
PADEL_SubFP274	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP274	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP274	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP274	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP274	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP274	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP274	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP274	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP274	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP274	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_SubFP274	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_SubFP274	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP274	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_SubFP274	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP274	Oc1ccccc1	C108952
PADEL_SubFP274	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_SubFP274	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_SubFP274	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_SubFP274	Nc1cc(ccc1)N	C108452
PADEL_SubFP274	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_SubFP274	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP274	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP274	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP274	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP274	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP274	Oc1cc(ccc1)O	C108463
PADEL_SubFP274	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP274	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_SubFP274	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP274	C1C(c2ccccc2)O1	C96093
PADEL_SubFP274	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_SubFP274	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_SubFP274	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP274	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP274	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_SubFP274	Cc1c(ccc(c1)C)C	C95636
PADEL_SubFP274	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP274	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP274	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP274	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_SubFP274	Oc1ccccc1Cl	C95578
PADEL_SubFP274	Oc1cc(C)c(Cl)cc1	C59507
PADEL_SubFP274	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_SubFP274	c1ccc2cccc3c2c1CC3	C83329
PADEL_SubFP274	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_SubFP274	n1cccc2c1cccc2	C91225
PADEL_SubFP274	CCN(CC)c1ccccc1	C91667
PADEL_SubFP274	Oc1c(C)cccc1	C95487
PADEL_SubFP274	c1ccccc1C(=O)C	C98862
PADEL_SubFP274	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP274	CN(C)c1ccc(C)cc1	C99978
PADEL_SubFP274	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP274	CCNc1cc(C)ccc1	C102272
PADEL_SubFP274	Oc1c(C)cc(C)cc1	C105679
PADEL_SubFP274	Oc1ccc(C)cc1	C106445
PADEL_SubFP274	Nc1ccc(C)cc1	C106490
PADEL_SubFP274	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP274	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_SubFP274	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_SubFP274	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_SubFP274	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_SubFP274	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP274	c1cccc2c3ccccc3oc12	C132649
PADEL_SubFP274	Oc1c(C)cc(C)cc1C	C527606
PADEL_SubFP274	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP274	Clc1cc(Cl)ccc1	C541731
PADEL_SubFP274	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP274	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP274	Oc1c(C)c(C)ccc1C	C2416946
PADEL_SubFP274	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_SubFP274	c1(c(O)cccc1)C(CC)C	C89725
PADEL_SubFP274	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_SubFP274	Oc1ccc(C=CC)cc1OC	C97541
PADEL_SubFP274	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_SubFP274	c1(CCCC)ccccc1	C104518
PADEL_SubFP274	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP274	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_SubFP274	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_SubFP274	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_SubFP274	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_SubFP274	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP274	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP274	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP274	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP274	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP274	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP274	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP274	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP274	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP274	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP274	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP274	O=N(=O)c1ccc(C)cc1	C99990
PADEL_SubFP274	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_SubFP274	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP274	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_SubFP274	Nc1c(OC)cccc1	C90040
PADEL_SubFP274	c1ccc2cc3ccccc3cc2c1	C120127
PADEL_SubFP274	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PADEL_SubFP274	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_SubFP274	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP274	Cc1ccccc1Cl	C95498
PADEL_SubFP274	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_SubFP274	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_SubFP274	Oc1cc(C)c(C)cc1	C95658
PADEL_SubFP274	Oc1c(cccc1C)C	C576261
PADEL_SubFP274	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP274	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP274	c1cccc2c1c1cccc3cccc2c13	C206440
PADEL_SubFP274	c1cccc2Cc3ccccc3c12	C86737
PADEL_SubFP274	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP274	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP274	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP274	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PADEL_SubFP274	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP274	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PADEL_SubFP274	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_SubFP274	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_SubFP274	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP274	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_SubFP274	O=C(O)c1ccc(N)cc1	C150130
PADEL_SubFP274	Oc1c(ccc(N)c1)C	C2835952
PADEL_SubFP274	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_SubFP274	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_SubFP274	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP274	Cc1ccc(Cl)cc1	C106434
PADEL_SubFP274	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_SubFP274	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_SubFP274	O(O)C(c1ccccc1)(C)C	C80159
PADEL_SubFP274	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP274	Nc1cc(C)ccc1N	C496720
PADEL_SubFP274	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP274	c1(ccccc1)C(Cl)Cl	C98873
PADEL_SubFP274	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_SubFP274	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_SubFP274	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_SubFP274	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP274	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP274	Oc1c(ccc(C)c1)C	C95874
PADEL_SubFP274	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_SubFP274	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP274	N(c1ccccc1)CC	C103695
PADEL_SubFP274	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_SubFP274	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP274	O=C(OC)c1c(N)cccc1	C134203
PADEL_SubFP274	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_SubFP274	O=C(OC)c1c(O)cccc1	C119368
PADEL_SubFP274	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP274	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP274	Nc1c(N)cccc1	C95545
PADEL_SubFP274	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_SubFP274	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_SubFP274	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_SubFP274	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP274	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_SubFP274	Nc1c(cccc1)C	C95534
PADEL_SubFP274	Clc1c(Cl)cccc1Cl	C87616
PADEL_SubFP274	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP274	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_SubFP274	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP274	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_SubFP274	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP274	Nc1c(cccc1C)C	C87627
PADEL_SubFP274	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_SubFP274	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_SubFP274	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_SubFP274	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_SubFP274	CC(C)c1ccc(C)cc1	C99876
PADEL_SubFP274	N#Cc1cnccc1	C100549
PADEL_SubFP274	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_SubFP274	Nc1cccc(C)c1	C108441
PADEL_SubFP274	Cc1cc(C)cc(C)c1	C108678
PADEL_SubFP274	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_SubFP274	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_SubFP274	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_SubFP274	[nH]1ncnc1	C288880
PADEL_SubFP274	c1(c2ccncc2)ccncc1	C553264
PADEL_SubFP274	Nc1c(CC)cccc1CC	C579668
PADEL_SubFP274	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP274	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP274	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP274	Nc1cccc(C)c1N	C2687254
PADEL_SubFP274	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP274	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_SubFP274	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP274	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_SubFP274	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_SubFP274	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_SubFP274	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_SubFP274	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_SubFP274	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_SubFP274	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_SubFP274	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP274	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_SubFP274	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP274	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_SubFP274	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP274	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP274	O=Cc1ccccc1C=O	C643798
PADEL_SubFP274	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP274	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_SubFP274	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP274	Nn1cnnc1	C584134
PADEL_SubFP274	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP274	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP274	Oc1cc(C)ccc1C(C)C	C89838
PADEL_SubFP274	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP274	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP274	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_SubFP274	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_SubFP274	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_SubFP274	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_SubFP274	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP274	O=C(OCCCC)c1ccccc1	C136607
PADEL_SubFP274	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP274	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_SubFP274	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP274	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_SubFP274	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_SubFP274	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_SubFP274	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP274	CCCc1ccccc1	C103651
PADEL_SubFP274	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP274	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_SubFP274	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP274	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_SubFP274	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP274	CC(C)(C)c1ccccc1	C98066
PADEL_SubFP274	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP274	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP274	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP274	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_SubFP274	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP274	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP274	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP274	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP274	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_SubFP274	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP274	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_SubFP274	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP274	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP274	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_SubFP274	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP274	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP274	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP274	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP274	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP274	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP274	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP274	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP274	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP274	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_SubFP274	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP274	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP274	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_SubFP274	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP274	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP274	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_SubFP274	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP274	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_SubFP274	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_SubFP274	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP274	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP274	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP274	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_SubFP274	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP274	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP274	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP274	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_SubFP274	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP274	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP274	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_SubFP274	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP274	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP274	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP274	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP274	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP274	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP274	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_SubFP274	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP274	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP274	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP274	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_SubFP274	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP274	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP274	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP274	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP274	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP274	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP274	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP274	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP274	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP274	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP274	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP274	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP274	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP274	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP274	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP274	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP274	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP274	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_SubFP274	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP274	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP274	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_SubFP274	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP274	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP274	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP274	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP274	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP274	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_SubFP274	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_SubFP274	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP274	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_SubFP274	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP274	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_SubFP274	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP274	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_SubFP274	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_SubFP274	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_SubFP274	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP274	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP274	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP274	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP274	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP274	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP274	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP274	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP274	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP274	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP274	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP274	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP274	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP274	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP274	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP274	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP274	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP274	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP274	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_SubFP274	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_SubFP274	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_SubFP274	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_SubFP274	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_SubFP274	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_SubFP274	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP274	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP274	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_SubFP274	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_SubFP274	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_SubFP274	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP274	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_SubFP274	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP274	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP274	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP274	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP274	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP274	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP274	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP274	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP274	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP274	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP274	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP274	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP274	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP274	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP274	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP274	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP274	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP274	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP274	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP274	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP274	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP274	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP274	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP274	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP274	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP274	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP274	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP274	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP274	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP274	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP274	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP274	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP274	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP274	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP274	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP274	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP274	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP274	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP274	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP274	O=C(OCC)c1ccccc1	C93890
PADEL_SubFP274	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP274	NCc1cccc(CN)c1	C1477550
PADEL_SubFP274	n1cc(C)ccc1	C108996
PADEL_SubFP274	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_SubFP274	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP274	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP274	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP274	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP274	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP274	Clc1ccc(N)cc1.Cl	C20265967
PADEL_SubFP274	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_SubFP274	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_SubFP274	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP274	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_SubFP274	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP274	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP274	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP274	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP274	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP274	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP274	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_SubFP274	NNc1ccccc1.Cl	C59881
PADEL_SubFP274	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_SubFP274	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_SubFP274	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_SubFP274	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_SubFP274	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_SubFP274	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_SubFP274	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_SubFP274	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_SubFP274	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP274	N#Cc1ccccc1	C100470
PADEL_SubFP274	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP274	CC(c1ccc(CO)cc1)C	C536607
PADEL_SubFP274	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_SubFP274	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_SubFP274	CN(C)c1ccc(C=O)cc1	C100107
PADEL_SubFP274	Nc1ccc(Br)cc1	C106401
PADEL_SubFP274	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_SubFP274	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_SubFP274	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_SubFP274	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP274	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP274	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP274	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP274	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_SubFP274	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_SubFP274	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP274	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP274	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP274	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_SubFP274	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP274	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_SubFP274	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP274	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP274	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP274	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP274	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP274	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_SubFP274	Nc1ccc(OC)cc1	C104949
PADEL_SubFP274	c12ccccc1ccc1c2cccn1	C85029
PADEL_SubFP274	Brc1ccccc1c1ccccc1	C2052075
PADEL_SubFP274	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_SubFP274	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_SubFP274	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP274	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP274	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_SubFP274	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP274	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP274	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP274	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP274	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_SubFP274	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_SubFP274	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP274	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_SubFP274	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP274	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_SubFP274	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP274	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_SubFP274	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_SubFP274	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_SubFP274	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP274	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_SubFP274	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP274	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP274	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP274	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_SubFP274	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_SubFP274	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP274	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP274	OCc1c[nH]c2c1cccc2	C700061
PADEL_SubFP274	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP274	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_SubFP274	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP274	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP274	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP274	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_SubFP274	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_SubFP274	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP274	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP274	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP274	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_SubFP274	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP274	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP274	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP274	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP274	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP274	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_SubFP274	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_SubFP274	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_SubFP274	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_SubFP274	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP274	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_SubFP274	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_SubFP274	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_SubFP274	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP274	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP274	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP274	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP274	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP274	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_SubFP274	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP274	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP274	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_SubFP274	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_SubFP274	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_SubFP274	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP274	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP274	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_SubFP274	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP274	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_SubFP274	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_SubFP274	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_SubFP274	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP274	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_SubFP274	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_SubFP274	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP274	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP274	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_SubFP274	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_SubFP274	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP274	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP274	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP274	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_SubFP274	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP274	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_SubFP274	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP274	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP274	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP274	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP274	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP274	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_SubFP274	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP274	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP274	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP274	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP274	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_SubFP274	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_SubFP274	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP274	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP274	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP274	Cl[Hg]c1ccccc1	C100561
PADEL_SubFP274	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP274	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP274	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP274	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP274	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP274	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_SubFP274	O=[As]c1ccccc1	C637036
PADEL_SubFP274	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP274	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP274	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP274	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP274	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP274	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP274	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP274	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_SubFP274	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_SubFP274	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP274	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_SubFP274	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP274	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_SubFP274	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_SubFP274	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_SubFP274	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_SubFP274	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP274	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP274	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_SubFP274	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_SubFP274	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP274	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP274	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP274	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP274	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_SubFP274	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP274	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP274	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_SubFP274	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_SubFP274	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP274	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_SubFP274	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP274	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_SubFP274	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_SubFP274	Nc1cccc(C)n1	C1824813
PADEL_SubFP274	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_SubFP274	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_SubFP274	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_SubFP274	CC1COc2ccccc2N1	C32329207
PADEL_SubFP274	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP274	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_SubFP274	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP274	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_SubFP274	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_SubFP274	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_SubFP274	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_SubFP274	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_SubFP274	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_SubFP274	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP274	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_SubFP274	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_SubFP274	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP274	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP274	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_SubFP274	COC(OC)C(C)c1ccccc1	C90879
PADEL_SubFP274	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP274	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_SubFP274	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_SubFP274	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_SubFP274	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP274	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_SubFP274	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP274	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP274	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_SubFP274	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP274	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP274	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_SubFP274	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP274	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_SubFP274	O=COCc1ccc(OC)cc1	C122918
PADEL_SubFP274	CCCCCc1ccco1	C3777693
PADEL_SubFP274	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP275	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_SubFP275	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_SubFP275	c1(nc[nH]n1)N	C61825
PADEL_SubFP275	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_SubFP275	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP275	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP275	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP275	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP275	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_SubFP275	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_SubFP275	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP275	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP275	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_SubFP275	c1cccc2[nH]ccc12	C120729
PADEL_SubFP275	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP275	NC(=O)c1cccnc1	C98920
PADEL_SubFP275	OC(=O)c1cccnc1	C59676
PADEL_SubFP275	O=NN1CCCC1	C930552
PADEL_SubFP275	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_SubFP275	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP275	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP275	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP275	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_SubFP275	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_SubFP275	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP275	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP275	OCCN1CCNCC1	C103764
PADEL_SubFP275	NCCN1CCNCC1	C140318
PADEL_SubFP275	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP275	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP275	CCCCCCC1OC(=O)CC1	C706149
PADEL_SubFP275	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP275	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP275	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP275	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP275	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP275	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP275	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_SubFP275	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP275	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP275	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP275	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP275	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_SubFP275	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP275	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP275	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_SubFP275	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP275	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP275	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP275	c1ccc2ncsc2c1	C95169
PADEL_SubFP275	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_SubFP275	C(OCCCC)C1CO1	C2426086
PADEL_SubFP275	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP275	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_SubFP275	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP275	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP275	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_SubFP275	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP275	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP275	c1c(CO)occ1	C98000
PADEL_SubFP275	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP275	C1COCCN1	C110918
PADEL_SubFP275	c12ncccc1ccc1c2nccc1	C66717
PADEL_SubFP275	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_SubFP275	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP275	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_SubFP275	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP275	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP275	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_SubFP275	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP275	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_SubFP275	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_SubFP275	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_SubFP275	O=C1OCC(C)O1	C108327
PADEL_SubFP275	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP275	N1CCCCCC1	C111499
PADEL_SubFP275	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_SubFP275	O=C1NCCC1	C616455
PADEL_SubFP275	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_SubFP275	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_SubFP275	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP275	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_SubFP275	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_SubFP275	OCC1OCCC1	C97994
PADEL_SubFP275	CN1CCOCC1	C109024
PADEL_SubFP275	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP275	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_SubFP275	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_SubFP275	n1c[nH]cc1	C288324
PADEL_SubFP275	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP275	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP275	O=C1NC2NC(=O)NC2N1	C496468
PADEL_SubFP275	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP275	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_SubFP275	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP275	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_SubFP275	OCn1nc(C)cc1C	C85264331
PADEL_SubFP275	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP275	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP275	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP275	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP275	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP275	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP275	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP275	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_SubFP275	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP275	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP275	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP275	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP275	O=C1OC(CCCCC)CC1	C104610
PADEL_SubFP275	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP275	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP275	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP275	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP275	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP275	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP275	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP275	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP275	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP275	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP275	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP275	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP275	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP275	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_SubFP275	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_SubFP275	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP275	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_SubFP275	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP275	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_SubFP275	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_SubFP275	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP275	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_SubFP275	O=C1OCC(CC)O1	C4437858
PADEL_SubFP275	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_SubFP275	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP275	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP275	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP275	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP275	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_SubFP275	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_SubFP275	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_SubFP275	O=C1CCC(O1)CC	C695067
PADEL_SubFP275	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_SubFP275	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP275	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP275	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP275	O1C=CCCC1	C110872
PADEL_SubFP275	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP275	NCCCN1CCOCC1	C123002
PADEL_SubFP275	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_SubFP275	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP275	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_SubFP275	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP275	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP275	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP275	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_SubFP275	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_SubFP275	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_SubFP275	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP275	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP275	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP275	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP275	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_SubFP275	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP275	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP275	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_SubFP275	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP275	O=C1OC(CCC)CC1	C105215
PADEL_SubFP275	c12ccccc1c1c(cccc1)s2	C132650
PADEL_SubFP275	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_SubFP275	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_SubFP275	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP275	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP275	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_SubFP275	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_SubFP275	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP275	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP275	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_SubFP275	S=C1NCCN1	C96457
PADEL_SubFP275	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP275	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP275	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP275	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_SubFP275	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP275	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP275	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP275	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP275	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_SubFP275	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP275	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP275	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP275	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP275	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP275	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP275	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_SubFP275	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP275	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP275	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP275	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_SubFP275	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP275	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP275	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP275	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP275	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP275	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP275	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP275	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP275	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP275	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP275	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP275	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP275	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP275	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP275	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP275	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP275	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP275	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP275	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP275	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP275	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP275	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP275	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP275	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP275	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP275	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP275	CN1CN(C)CSC1=S	C533744
PADEL_SubFP275	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP275	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP275	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP275	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP275	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP275	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP275	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_SubFP275	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP275	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP275	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP275	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP275	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP275	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP275	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP275	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP275	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP275	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP275	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP275	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP275	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP275	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP275	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP275	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP275	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP275	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP275	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP275	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP275	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP275	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP275	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP275	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP275	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP275	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_SubFP275	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP275	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP275	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP275	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP275	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP275	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP275	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP275	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP275	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP275	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP275	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP275	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP275	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP275	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP275	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP275	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_SubFP275	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP275	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP275	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP275	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP275	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP275	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP275	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP275	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP275	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP275	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP275	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_SubFP275	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP275	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP275	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP275	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_SubFP275	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP275	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_SubFP275	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP275	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP275	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP275	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP275	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP275	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP275	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP275	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP275	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP275	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP275	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP275	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP275	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP275	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP275	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP275	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_SubFP275	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP275	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP275	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP275	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP275	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP275	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP275	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP275	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP275	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP275	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP275	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP275	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP275	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP275	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP275	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP275	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP275	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP275	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP275	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP275	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP275	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP275	c1coc2c1cccc2	C271896
PADEL_SubFP275	O=C1CCCO1	C96480
PADEL_SubFP275	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP275	O=C1CCCCCN1	C105602
PADEL_SubFP275	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP275	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP275	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP275	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP275	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP275	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_SubFP275	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP275	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP275	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP275	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_SubFP275	O1C2C1CCC(C2)C1CO1	C106876
PADEL_SubFP275	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP275	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP275	O=Cc1ccco1	C98011
PADEL_SubFP275	OCC1CO1	C556525
PADEL_SubFP275	C1N2CN3CN(C2)CN1C3	C100970
PADEL_SubFP275	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_SubFP275	Oc1cccc2cccnc12	C148243
PADEL_SubFP275	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP275	O=C(c1ccncc1)NN	C54853
PADEL_SubFP275	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_SubFP275	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP275	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP275	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP275	O=C1N(CCC1)C	C872504
PADEL_SubFP275	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP275	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP275	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP275	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP275	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP275	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP275	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_SubFP275	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_SubFP275	C1CNCCN1	C110850
PADEL_SubFP275	O=S1(=O)CCCO1	C1120714
PADEL_SubFP275	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP275	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP275	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP275	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP275	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP275	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_SubFP275	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP275	C1C(c2ccccc2)O1	C96093
PADEL_SubFP275	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_SubFP275	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP275	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP275	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP275	O=C1N(C=C)CCC1	C88120
PADEL_SubFP275	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP275	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP275	n1cccc2c1cccc2	C91225
PADEL_SubFP275	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP275	c1cccc2c3ccccc3oc12	C132649
PADEL_SubFP275	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP275	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP275	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_SubFP275	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP275	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP275	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP275	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP275	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP275	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP275	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_SubFP275	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP275	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP275	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP275	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP275	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP275	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP275	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP275	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_SubFP275	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_SubFP275	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP275	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_SubFP275	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP275	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP275	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_SubFP275	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP275	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP275	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP275	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP275	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP275	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP275	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_SubFP275	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP275	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP275	N#Cc1cnccc1	C100549
PADEL_SubFP275	[nH]1ncnc1	C288880
PADEL_SubFP275	c1(c2ccncc2)ccncc1	C553264
PADEL_SubFP275	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_SubFP275	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_SubFP275	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP275	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP275	CCC12N(COC1)COC2	C7747355
PADEL_SubFP275	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP275	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP275	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_SubFP275	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP275	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP275	Nn1cnnc1	C584134
PADEL_SubFP275	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP275	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP275	O=C1CCC(O1)CCCCCCC	C104676
PADEL_SubFP275	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP275	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP275	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP275	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP275	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_SubFP275	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP275	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_SubFP275	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP275	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_SubFP275	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_SubFP275	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP275	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP275	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP275	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP275	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP275	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP275	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_SubFP275	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP275	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP275	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP275	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP275	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_SubFP275	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP275	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_SubFP275	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP275	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP275	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_SubFP275	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP275	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP275	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP275	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP275	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP275	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP275	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP275	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP275	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_SubFP275	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP275	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP275	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP275	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP275	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_SubFP275	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP275	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_SubFP275	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP275	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP275	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP275	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP275	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP275	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP275	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP275	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP275	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_SubFP275	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP275	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP275	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP275	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP275	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_SubFP275	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP275	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP275	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP275	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP275	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP275	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP275	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP275	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP275	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP275	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP275	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP275	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP275	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP275	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP275	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP275	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP275	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP275	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP275	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP275	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP275	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_SubFP275	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP275	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP275	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_SubFP275	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP275	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP275	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP275	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP275	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_SubFP275	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_SubFP275	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP275	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_SubFP275	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP275	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_SubFP275	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP275	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_SubFP275	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_SubFP275	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP275	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP275	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP275	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP275	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP275	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP275	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP275	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP275	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP275	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP275	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP275	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP275	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP275	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP275	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP275	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP275	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP275	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_SubFP275	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP275	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP275	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP275	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_SubFP275	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP275	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP275	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP275	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP275	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP275	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP275	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP275	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP275	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP275	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP275	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP275	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP275	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP275	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP275	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP275	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP275	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP275	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP275	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP275	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP275	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP275	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP275	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP275	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_SubFP275	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP275	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP275	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP275	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP275	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP275	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP275	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP275	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP275	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP275	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP275	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP275	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP275	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP275	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP275	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP275	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP275	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_SubFP275	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP275	n1cc(C)ccc1	C108996
PADEL_SubFP275	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_SubFP275	CCC1CO1	C106887
PADEL_SubFP275	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP275	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP275	CC1CC(=O)O1	C3068880
PADEL_SubFP275	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP275	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_SubFP275	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP275	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP275	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP275	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP275	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP275	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP275	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP275	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP275	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_SubFP275	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP275	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP275	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP275	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP275	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_SubFP275	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP275	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP275	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP275	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP275	c12ccccc1ccc1c2cccn1	C85029
PADEL_SubFP275	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP275	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP275	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_SubFP275	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_SubFP275	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP275	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP275	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_SubFP275	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP275	OCc1c[nH]c2c1cccc2	C700061
PADEL_SubFP275	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP275	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP275	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP275	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP275	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_SubFP275	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP275	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP275	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP275	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP275	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_SubFP275	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP275	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_SubFP275	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP275	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_SubFP275	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP275	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_SubFP275	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP275	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_SubFP275	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP275	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP275	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP275	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP275	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP275	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP275	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP275	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_SubFP275	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP275	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP275	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP275	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_SubFP275	O=CN1CCCCC1	C2591868
PADEL_SubFP275	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP275	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_SubFP275	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_SubFP275	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_SubFP275	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_SubFP275	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP275	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP275	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_SubFP275	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_SubFP275	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP275	Nc1cccc(C)n1	C1824813
PADEL_SubFP275	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_SubFP275	CC1COc2ccccc2N1	C32329207
PADEL_SubFP275	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP275	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP275	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_SubFP275	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_SubFP275	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_SubFP275	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP275	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP275	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_SubFP275	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP275	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP275	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_SubFP275	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP275	CCCCCc1ccco1	C3777693
PADEL_SubFP275	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_SubFP275	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP276	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_SubFP276	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_SubFP276	C(OCCCC)C1CO1	C2426086
PADEL_SubFP276	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_SubFP276	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_SubFP276	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_SubFP276	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP276	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP276	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP276	O1C2C1CCC(C2)C1CO1	C106876
PADEL_SubFP276	OCC1CO1	C556525
PADEL_SubFP276	C1C(c2ccccc2)O1	C96093
PADEL_SubFP276	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_SubFP276	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP276	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP276	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP276	CCC1CO1	C106887
PADEL_SubFP276	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP276	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_SubFP276	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_SubFP276	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_SubFP287	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_SubFP287	C=CC#N	C107131
PADEL_SubFP287	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_SubFP287	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_SubFP287	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_SubFP287	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP287	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP287	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_SubFP287	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_SubFP287	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP287	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_SubFP287	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP287	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_SubFP287	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_SubFP287	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP287	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP287	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_SubFP287	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_SubFP287	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP287	C=Cc1ccc(cc1)C	C622979
PADEL_SubFP287	NC(=O)c1cccnc1	C98920
PADEL_SubFP287	OC(=O)c1cccnc1	C59676
PADEL_SubFP287	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_SubFP287	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP287	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_SubFP287	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP287	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP287	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP287	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP287	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_SubFP287	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP287	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_SubFP287	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP287	O=C(O)/C=C\C(=O)O	C110167
PADEL_SubFP287	OC(=O)/C=C/C(=O)O	C110178
PADEL_SubFP287	c1(O)ccccc1C(=O)N	C65452
PADEL_SubFP287	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP287	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_SubFP287	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP287	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP287	O=Cc1ccccc1O	C90028
PADEL_SubFP287	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_SubFP287	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_SubFP287	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_SubFP287	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP287	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP287	C=CC(=O)OCCO	C818611
PADEL_SubFP287	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP287	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP287	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_SubFP287	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP287	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP287	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP287	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP287	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_SubFP287	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_SubFP287	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_SubFP287	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_SubFP287	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_SubFP287	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP287	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_SubFP287	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_SubFP287	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP287	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_SubFP287	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_SubFP287	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP287	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP287	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP287	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP287	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP287	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP287	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP287	CC(=C)C#N	C126987
PADEL_SubFP287	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP287	O=C(N)N=NC(=O)N	C123773
PADEL_SubFP287	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_SubFP287	O=C(OCCCC)C=C	C141322
PADEL_SubFP287	O=C/C=C/c1ccccc1	C14371109
PADEL_SubFP287	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP287	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_SubFP287	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP287	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP287	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_SubFP287	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP287	C=Cc1ccccc1C=C	C1321740
PADEL_SubFP287	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP287	O=C(OCC)c1c(N)cccc1	C87252
PADEL_SubFP287	CCC(=CCCC)C=O	C645625
PADEL_SubFP287	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_SubFP287	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_SubFP287	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_SubFP287	O=C(C)C=Cc1ccccc1	C122576
PADEL_SubFP287	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP287	C(=O)(O)C(=O)O	C144627
PADEL_SubFP287	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP287	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_SubFP287	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_SubFP287	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_SubFP287	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP287	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_SubFP287	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP287	O=C(O)c1ccccc1O	C69727
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_SubFP287	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_SubFP287	O=C(O)c1ccc(O)cc1	C99967
PADEL_SubFP287	O=Cc1ccc(OC)cc1	C123115
PADEL_SubFP287	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_SubFP287	C1=CC=CC1	C542927
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_SubFP287	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_SubFP287	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_SubFP287	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_SubFP287	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP287	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_SubFP287	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP287	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP287	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP287	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_SubFP287	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_SubFP287	O=C(c1ccc(O)cc1)C	C99934
PADEL_SubFP287	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_SubFP287	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_SubFP287	O=C(C=C(C)C)C	C141797
PADEL_SubFP287	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP287	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_SubFP287	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP287	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_SubFP287	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_SubFP287	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP287	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP287	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP287	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_SubFP287	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_SubFP287	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP287	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_SubFP287	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_SubFP287	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_SubFP287	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP287	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP287	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP287	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP287	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP287	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP287	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_SubFP287	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP287	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP287	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP287	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP287	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP287	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP287	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP287	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP287	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_SubFP287	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP287	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP287	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP287	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_SubFP287	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP287	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP287	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_SubFP287	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP287	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_SubFP287	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP287	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP287	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP287	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_SubFP287	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_SubFP287	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_SubFP287	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_SubFP287	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_SubFP287	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP287	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP287	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP287	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP287	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_SubFP287	O=C(c1ccccc1O)C	C118934
PADEL_SubFP287	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP287	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_SubFP287	O=C(OCC)c1c(C)cccc1	C87241
PADEL_SubFP287	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_SubFP287	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP287	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP287	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP287	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP287	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_SubFP287	CC1=CC=C(C(C)C)CC1	C99865
PADEL_SubFP287	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_SubFP287	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_SubFP287	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_SubFP287	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_SubFP287	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_SubFP287	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_SubFP287	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_SubFP287	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_SubFP287	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_SubFP287	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_SubFP287	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP287	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP287	O=C/C=C/CCC	C6728263
PADEL_SubFP287	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP287	OCC=Cc1ccccc1	C104541
PADEL_SubFP287	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP287	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP287	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_SubFP287	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP287	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_SubFP287	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP287	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP287	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_SubFP287	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_SubFP287	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_SubFP287	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP287	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP287	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP287	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP287	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP287	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP287	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP287	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP287	c12ccccc1CC=C2	C95136
PADEL_SubFP287	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP287	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_SubFP287	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP287	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP287	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP287	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP287	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP287	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_SubFP287	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP287	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP287	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_SubFP287	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_SubFP287	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP287	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP287	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP287	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP287	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP287	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP287	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP287	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP287	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP287	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_SubFP287	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_SubFP287	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP287	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_SubFP287	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP287	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP287	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP287	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_SubFP287	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_SubFP287	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_SubFP287	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP287	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP287	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_SubFP287	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_SubFP287	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_SubFP287	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP287	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_SubFP287	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_SubFP287	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_SubFP287	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_SubFP287	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP287	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP287	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_SubFP287	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_SubFP287	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_SubFP287	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_SubFP287	O=C(c1ccccc1)C(C)C	C611701
PADEL_SubFP287	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP287	O=C(OC)c1c(C)cccc1	C89714
PADEL_SubFP287	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_SubFP287	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_SubFP287	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_SubFP287	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP287	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP287	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP287	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_SubFP287	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP287	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_SubFP287	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP287	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP287	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP287	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_SubFP287	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP287	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP287	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP287	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP287	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_SubFP287	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP287	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_SubFP287	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP287	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_SubFP287	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP287	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_SubFP287	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP287	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_SubFP287	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP287	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP287	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP287	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP287	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_SubFP287	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_SubFP287	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_SubFP287	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP287	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP287	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP287	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP287	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP287	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP287	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP287	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP287	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP287	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP287	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP287	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP287	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP287	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_SubFP287	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP287	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_SubFP287	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP287	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP287	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP287	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP287	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP287	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP287	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP287	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP287	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP287	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP287	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP287	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP287	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP287	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP287	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP287	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP287	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP287	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP287	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP287	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP287	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP287	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP287	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP287	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP287	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP287	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_SubFP287	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP287	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP287	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP287	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_SubFP287	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP287	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP287	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP287	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP287	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP287	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP287	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP287	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP287	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP287	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP287	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP287	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP287	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP287	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP287	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP287	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP287	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP287	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP287	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP287	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_SubFP287	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP287	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP287	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP287	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP287	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP287	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP287	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP287	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP287	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP287	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_SubFP287	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP287	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP287	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP287	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP287	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP287	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP287	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP287	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_SubFP287	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP287	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP287	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP287	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP287	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP287	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_SubFP287	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_SubFP287	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP287	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP287	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP287	NC(=O)C=C	C79061
PADEL_SubFP287	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_SubFP287	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_SubFP287	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_SubFP287	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP287	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_SubFP287	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP287	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_SubFP287	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP287	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP287	OC(=O)c1ccccc1	C65850
PADEL_SubFP287	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP287	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_SubFP287	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP287	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP287	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_SubFP287	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP287	O=C(c1ccccc1)CCl	C532274
PADEL_SubFP287	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP287	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_SubFP287	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_SubFP287	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_SubFP287	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP287	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP287	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP287	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP287	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_SubFP287	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP287	O=Cc1ccco1	C98011
PADEL_SubFP287	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP287	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_SubFP287	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP287	O=C(c1ccncc1)NN	C54853
PADEL_SubFP287	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_SubFP287	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_SubFP287	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP287	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP287	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP287	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_SubFP287	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP287	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP287	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP287	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP287	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP287	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP287	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP287	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP287	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP287	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP287	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_SubFP287	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_SubFP287	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP287	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP287	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP287	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP287	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP287	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_SubFP287	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP287	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP287	OC(=O)C=CC=CC	C110441
PADEL_SubFP287	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_SubFP287	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP287	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP287	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP287	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP287	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_SubFP287	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_SubFP287	c1ccccc1C(=O)C	C98862
PADEL_SubFP287	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP287	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP287	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_SubFP287	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_SubFP287	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_SubFP287	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP287	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP287	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP287	Oc1ccc(C=CC)cc1OC	C97541
PADEL_SubFP287	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP287	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_SubFP287	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_SubFP287	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_SubFP287	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_SubFP287	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP287	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP287	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP287	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP287	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP287	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_SubFP287	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP287	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP287	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP287	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP287	O=N(=O)c1ccc(C)cc1	C99990
PADEL_SubFP287	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_SubFP287	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP287	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_SubFP287	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_SubFP287	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_SubFP287	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP287	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP287	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP287	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP287	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP287	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP287	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP287	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_SubFP287	O=C(O)c1ccc(N)cc1	C150130
PADEL_SubFP287	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_SubFP287	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_SubFP287	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_SubFP287	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_SubFP287	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP287	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP287	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_SubFP287	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP287	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP287	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP287	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP287	O=C(OC)c1c(N)cccc1	C134203
PADEL_SubFP287	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_SubFP287	O=C(OC)c1c(O)cccc1	C119368
PADEL_SubFP287	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_SubFP287	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP287	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP287	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP287	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_SubFP287	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP287	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_SubFP287	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP287	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_SubFP287	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP287	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_SubFP287	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_SubFP287	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP287	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP287	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP287	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP287	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_SubFP287	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_SubFP287	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_SubFP287	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_SubFP287	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_SubFP287	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_SubFP287	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_SubFP287	O=C(N)C(=C)C	C79390
PADEL_SubFP287	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_SubFP287	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_SubFP287	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP287	O=Cc1ccccc1C=O	C643798
PADEL_SubFP287	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP287	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP287	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP287	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP287	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_SubFP287	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP287	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_SubFP287	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_SubFP287	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP287	O=C(OCCCC)c1ccccc1	C136607
PADEL_SubFP287	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP287	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP287	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP287	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_SubFP287	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_SubFP287	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP287	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP287	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP287	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP287	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP287	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP287	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP287	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_SubFP287	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP287	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP287	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP287	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP287	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP287	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP287	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP287	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_SubFP287	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP287	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP287	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP287	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP287	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_SubFP287	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP287	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP287	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP287	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_SubFP287	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP287	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP287	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_SubFP287	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP287	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP287	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP287	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP287	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP287	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP287	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP287	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP287	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP287	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP287	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP287	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP287	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP287	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP287	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_SubFP287	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP287	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP287	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_SubFP287	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP287	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP287	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP287	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_SubFP287	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_SubFP287	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP287	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP287	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_SubFP287	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP287	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP287	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP287	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP287	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP287	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP287	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP287	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP287	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP287	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP287	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP287	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP287	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP287	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP287	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP287	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP287	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP287	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP287	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_SubFP287	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_SubFP287	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_SubFP287	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP287	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_SubFP287	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_SubFP287	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP287	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP287	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP287	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP287	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP287	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP287	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP287	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP287	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP287	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP287	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP287	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP287	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP287	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP287	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP287	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP287	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP287	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP287	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP287	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_SubFP287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP287	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP287	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP287	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP287	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP287	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP287	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP287	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP287	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP287	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP287	O=C(OCC)c1ccccc1	C93890
PADEL_SubFP287	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP287	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP287	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP287	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_SubFP287	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP287	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP287	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP287	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP287	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_SubFP287	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_SubFP287	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_SubFP287	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP287	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP287	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP287	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP287	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP287	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP287	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_SubFP287	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_SubFP287	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_SubFP287	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_SubFP287	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP287	CC(=O)C(=O)O	C127173
PADEL_SubFP287	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_SubFP287	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_SubFP287	CN(C)c1ccc(C=O)cc1	C100107
PADEL_SubFP287	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_SubFP287	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP287	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP287	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP287	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP287	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_SubFP287	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP287	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP287	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP287	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_SubFP287	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP287	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_SubFP287	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP287	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP287	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP287	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_SubFP287	O=CC=CC=CCCCCC	C25152845
PADEL_SubFP287	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP287	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP287	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_SubFP287	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_SubFP287	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP287	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP287	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP287	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP287	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_SubFP287	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_SubFP287	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP287	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_SubFP287	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP287	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_SubFP287	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP287	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_SubFP287	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_SubFP287	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_SubFP287	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_SubFP287	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP287	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_SubFP287	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP287	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_SubFP287	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_SubFP287	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP287	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_SubFP287	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP287	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP287	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_SubFP287	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_SubFP287	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP287	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP287	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_SubFP287	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_SubFP287	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP287	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP287	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP287	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP287	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_SubFP287	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_SubFP287	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_SubFP287	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_SubFP287	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP287	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP287	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP287	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP287	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP287	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_SubFP287	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP287	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_SubFP287	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP287	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_SubFP287	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_SubFP287	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_SubFP287	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP287	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP287	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP287	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP287	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP287	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_SubFP287	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP287	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP287	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP287	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_SubFP287	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP287	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_SubFP287	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_SubFP287	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP287	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP287	O=[As]c1ccccc1	C637036
PADEL_SubFP287	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_SubFP287	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP287	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP287	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_SubFP287	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_SubFP287	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP287	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP287	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP287	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP287	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP287	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP287	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_SubFP287	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_SubFP287	O=C(OCCCCO)C=C	C2478106
PADEL_SubFP287	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP287	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP287	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_SubFP287	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP287	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_SubFP287	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_SubFP287	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP287	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_SubFP287	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_SubFP287	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_SubFP287	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP287	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_SubFP287	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP287	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_SubFP287	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_SubFP287	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_SubFP287	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP287	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_SubFP287	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP287	O=C/C=C/CCCCCCC	C3913813
PADEL_SubFP287	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_SubFP287	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_SubFP287	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_SubFP287	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP287	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP287	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP287	CCC(=O)C(=O)CC	C4437518
PADEL_SubFP287	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP288	C=CC#N	C107131
PADEL_SubFP288	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP288	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP288	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP288	CC(=C)C#N	C126987
PADEL_SubFP288	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP288	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP288	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_SubFP288	N#Cc1c(O)cccc1	C611201
PADEL_SubFP288	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_SubFP288	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_SubFP288	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP288	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_SubFP288	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP288	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP288	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP288	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP288	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP288	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP288	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP288	N#Cc1cnccc1	C100549
PADEL_SubFP288	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP288	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_SubFP288	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP288	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP288	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP288	N#Cc1ccccc1	C100470
PADEL_SubFP288	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_SubFP288	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP288	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP288	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP288	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_SubFP288	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP288	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_SubFP288	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP292	F[B-](F)(F)F.[Na+]	C13755298
PADEL_SubFP292	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP292	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP292	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP292	ClP(c1ccccc1)Cl	C644973
PADEL_SubFP292	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_SubFP292	Cl[Sn](C)(C)Cl	C753731
PADEL_SubFP292	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP292	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_SubFP292	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP292	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP292	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_SubFP292	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP292	[Na]I	C7681825
PADEL_SubFP292	Cl[Dy](Cl)Cl	C10025748
PADEL_SubFP292	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP292	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP292	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP292	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_SubFP292	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP292	Cl[In](Cl)Cl	C10025828
PADEL_SubFP292	Br[Sn](CC)(CC)CC	C2767546
PADEL_SubFP292	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_SubFP292	Cl[Hg]c1ccccc1	C100561
PADEL_SubFP292	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_SubFP292	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_SubFP292	Cl[Sb](Cl)Cl	C10025919
PADEL_SubFP292	Cl[Au](Cl)Cl	C13453071
PADEL_SubFP292	Cl[In](Cl)Cl.O.O	C143983919
PADEL_SubFP295	CC(=O)N	C60355
PADEL_SubFP295	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_SubFP295	C=CC#N	C107131
PADEL_SubFP295	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_SubFP295	C=CCO	C107186
PADEL_SubFP295	C=CCN=C=S	C57067
PADEL_SubFP295	c1(nc[nH]n1)N	C61825
PADEL_SubFP295	Nc1ccccc1.Cl	C142041
PADEL_SubFP295	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_SubFP295	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_SubFP295	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_SubFP295	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_SubFP295	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_SubFP295	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_SubFP295	[nH]1c2c(cccc2)nn1	C95147
PADEL_SubFP295	CC(=O)OCc1ccccc1	C140114
PADEL_SubFP295	CC(CNCC(C)O)O	C110974
PADEL_SubFP295	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_SubFP295	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP295	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_SubFP295	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_SubFP295	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_SubFP295	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_SubFP295	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_SubFP295	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP295	Clc1c(ccc(c1)N)C	C95749
PADEL_SubFP295	O=CCCl	C107200
PADEL_SubFP295	ClCOC	C107302
PADEL_SubFP295	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_SubFP295	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_SubFP295	NC(=N)NC#N	C461585
PADEL_SubFP295	O=C1CCCCC1	C108941
PADEL_SubFP295	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_SubFP295	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_SubFP295	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_SubFP295	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_SubFP295	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_SubFP295	S=C(NCC)NCC	C105555
PADEL_SubFP295	CN(C)C(=O)C	C127195
PADEL_SubFP295	CN(CCO)C	C108010
PADEL_SubFP295	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_SubFP295	CN(C)N	C57147
PADEL_SubFP295	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_SubFP295	C=CCc1ccc(cc1)OC	C140670
PADEL_SubFP295	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_SubFP295	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_SubFP295	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_SubFP295	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_SubFP295	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_SubFP295	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_SubFP295	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_SubFP295	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_SubFP295	OC(CO)CCl	C96242
PADEL_SubFP295	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP295	c1cccc2[nH]ccc12	C120729
PADEL_SubFP295	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_SubFP295	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_SubFP295	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_SubFP295	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_SubFP295	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_SubFP295	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_SubFP295	COc1ccc(cc1)O	C150765
PADEL_SubFP295	NC(=O)OC	C598550
PADEL_SubFP295	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_SubFP295	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_SubFP295	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_SubFP295	NC(=O)c1cccnc1	C98920
PADEL_SubFP295	OC(=O)c1cccnc1	C59676
PADEL_SubFP295	O=[N+](CC)[O-]	C79243
PADEL_SubFP295	CN(C(=O)N)N=O	C684935
PADEL_SubFP295	CN(N=O)C	C62759
PADEL_SubFP295	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_SubFP295	O=NN1CCCC1	C930552
PADEL_SubFP295	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP295	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_SubFP295	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_SubFP295	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_SubFP295	Nc1ccc(cc1)N	C106503
PADEL_SubFP295	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_SubFP295	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_SubFP295	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP295	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP295	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP295	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_SubFP295	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_SubFP295	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_SubFP295	NC(=S)N	C62566
PADEL_SubFP295	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_SubFP295	Nc1ccccc1C.Cl	C636215
PADEL_SubFP295	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_SubFP295	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_SubFP295	O=P(OC)(OC)OC	C512561
PADEL_SubFP295	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_SubFP295	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_SubFP295	O=CCc1ccccc1	C122781
PADEL_SubFP295	O=C(O)/C=C\C(=O)O	C110167
PADEL_SubFP295	OC(=O)/C=C/C(=O)O	C110178
PADEL_SubFP295	OCCOCCOCCOCCCC	C143226
PADEL_SubFP295	CCCCCCCCCC=O	C112312
PADEL_SubFP295	CCCCCCCCCCCC(=O)O	C143077
PADEL_SubFP295	O=CCCCCCC	C111717
PADEL_SubFP295	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_SubFP295	CCCCCCCCC=O	C124196
PADEL_SubFP295	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_SubFP295	OC(=O)CCCC	C109524
PADEL_SubFP295	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_SubFP295	c1(O)ccccc1C(=O)N	C65452
PADEL_SubFP295	CS(=O)C	C67685
PADEL_SubFP295	OCCC	C71238
PADEL_SubFP295	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_SubFP295	OC(C)CN	C78966
PADEL_SubFP295	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_SubFP295	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_SubFP295	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_SubFP295	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP295	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP295	O=Cc1ccccc1O	C90028
PADEL_SubFP295	Oc1cccc2ccccc12	C90153
PADEL_SubFP295	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_SubFP295	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_SubFP295	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_SubFP295	ON=C1CCCCC1	C100641
PADEL_SubFP295	c1ccccc1Oc1ccccc1	C101848
PADEL_SubFP295	OCCN1CCNCC1	C103764
PADEL_SubFP295	Nc1ccc(CCCC)cc1	C104132
PADEL_SubFP295	CCOC(=O)CC(=O)OCC	C105533
PADEL_SubFP295	Oc1ccc(Cl)cc1	C106489
PADEL_SubFP295	CC(O)CC(C)(C)O	C107415
PADEL_SubFP295	CCCC(=O)C	C107879
PADEL_SubFP295	C1CCCCC1O	C108930
PADEL_SubFP295	N#CCC#N	C109773
PADEL_SubFP295	CCCCCC(=O)C	C110430
PADEL_SubFP295	C(O)C#CCO	C110656
PADEL_SubFP295	CCNCCO	C110736
PADEL_SubFP295	CCCCCCO	C111273
PADEL_SubFP295	CCCCCCCO	C111706
PADEL_SubFP295	CCCCCCCCCC(=O)C	C112129
PADEL_SubFP295	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_SubFP295	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_SubFP295	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_SubFP295	Oc1ccc(CC)cc1	C123079
PADEL_SubFP295	CCCCCC(=O)OCC	C123660
PADEL_SubFP295	CCCCCCCCCCCCN	C124221
PADEL_SubFP295	NCCN1CCNCC1	C140318
PADEL_SubFP295	CCCCCCCCCO	C143088
PADEL_SubFP295	COc1ccc(OC)cc1	C150787
PADEL_SubFP295	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_SubFP295	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_SubFP295	O=C(OC(C)(C)C)C	C540885
PADEL_SubFP295	Oc1ccc(CCC)cc1	C645567
PADEL_SubFP295	CCCCCCC1OC(=O)CC1	C706149
PADEL_SubFP295	C=CC(=O)OCCO	C818611
PADEL_SubFP295	CC/C=C\CCO	C928961
PADEL_SubFP295	CCCCCCCCCCN	C2016571
PADEL_SubFP295	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_SubFP295	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_SubFP295	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_SubFP295	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_SubFP295	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_SubFP295	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_SubFP295	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_SubFP295	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_SubFP295	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_SubFP295	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_SubFP295	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_SubFP295	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_SubFP295	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_SubFP295	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_SubFP295	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_SubFP295	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_SubFP295	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_SubFP295	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_SubFP295	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_SubFP295	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_SubFP295	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_SubFP295	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_SubFP295	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_SubFP295	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_SubFP295	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_SubFP295	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_SubFP295	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_SubFP295	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_SubFP295	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_SubFP295	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_SubFP295	c1(c(CC)cccc1)O	C90006
PADEL_SubFP295	c1c(O)cccc1CC	C620177
PADEL_SubFP295	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_SubFP295	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_SubFP295	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_SubFP295	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_SubFP295	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_SubFP295	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_SubFP295	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_SubFP295	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_SubFP295	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_SubFP295	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_SubFP295	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_SubFP295	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_SubFP295	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_SubFP295	c1cccc(OC)c1O	C90051
PADEL_SubFP295	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_SubFP295	C(=O)(O)C(C)O	C50215
PADEL_SubFP295	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_SubFP295	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_SubFP295	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_SubFP295	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP295	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_SubFP295	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_SubFP295	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_SubFP295	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_SubFP295	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_SubFP295	C(=O)(O)CCC(=O)O	C110156
PADEL_SubFP295	NC(CO)(CO)CO	C77861
PADEL_SubFP295	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_SubFP295	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_SubFP295	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_SubFP295	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP295	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_SubFP295	CNC	C124403
PADEL_SubFP295	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_SubFP295	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_SubFP295	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_SubFP295	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_SubFP295	CC(=C)C#N	C126987
PADEL_SubFP295	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_SubFP295	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_SubFP295	Cc1cc(O)ccc1	C108394
PADEL_SubFP295	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_SubFP295	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_SubFP295	CC(O)COC	C107982
PADEL_SubFP295	[Na+].[O-]C(=O)CF	C62748
PADEL_SubFP295	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_SubFP295	O=C(N)N=NC(=O)N	C123773
PADEL_SubFP295	c1ccc2ncsc2c1	C95169
PADEL_SubFP295	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_SubFP295	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_SubFP295	ON=CCCC	C110690
PADEL_SubFP295	OCCCCO	C110634
PADEL_SubFP295	O=C(OCCCC)C=C	C141322
PADEL_SubFP295	C(C)(C)(C)N	C75649
PADEL_SubFP295	C(OCCCC)C1CO1	C2426086
PADEL_SubFP295	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_SubFP295	O=C/C=C/c1ccccc1	C14371109
PADEL_SubFP295	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_SubFP295	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_SubFP295	C(C(=O)C)C(C)(C)O	C123422
PADEL_SubFP295	C(CCN)CCCN	C124094
PADEL_SubFP295	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_SubFP295	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_SubFP295	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_SubFP295	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP295	Oc1cc(Cl)ccc1Cl	C583788
PADEL_SubFP295	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_SubFP295	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_SubFP295	N(CCN)CCN	C111400
PADEL_SubFP295	O=C(CC(C)C)CC(C)C	C108838
PADEL_SubFP295	N(C)(C)c1cccc(O)c1	C99070
PADEL_SubFP295	N(CCCN)(C)C	C109557
PADEL_SubFP295	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP295	OCNC(=O)NCO	C140954
PADEL_SubFP295	Cc1c(C)cccc1O	C526750
PADEL_SubFP295	Cc1cc(C)cc(O)c1	C108689
PADEL_SubFP295	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_SubFP295	C(CCCCCC)CCCCCS	C112550
PADEL_SubFP295	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP295	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP295	O=C(OCC)c1c(N)cccc1	C87252
PADEL_SubFP295	C(CC)(C=O)CCCC	C123057
PADEL_SubFP295	OCC(C(O)CCC)CC	C94962
PADEL_SubFP295	CCC(=CCCC)C=O	C645625
PADEL_SubFP295	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_SubFP295	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_SubFP295	c1c(CO)occ1	C98000
PADEL_SubFP295	O=CCCCC=O	C111308
PADEL_SubFP295	C(=O)(O)CO	C79141
PADEL_SubFP295	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_SubFP295	C(C)(C)(O)C#N	C75865
PADEL_SubFP295	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_SubFP295	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_SubFP295	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_SubFP295	O(C(C)C)C(=O)C	C108214
PADEL_SubFP295	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_SubFP295	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_SubFP295	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_SubFP295	N#CC(CCC#N)C	C4553622
PADEL_SubFP295	O=C(C)C=Cc1ccccc1	C122576
PADEL_SubFP295	C1COCCN1	C110918
PADEL_SubFP295	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP295	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_SubFP295	C(=O)(O)C(=O)O	C144627
PADEL_SubFP295	c12ncccc1ccc1c2nccc1	C66717
PADEL_SubFP295	O(c1ccc(N)cc1)CC	C156434
PADEL_SubFP295	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_SubFP295	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_SubFP295	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP295	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP295	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP295	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_SubFP295	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_SubFP295	O=C(O)CS	C68111
PADEL_SubFP295	Cc1cccc2nn[nH]c12	C29385431
PADEL_SubFP295	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP295	O=P(OCC)(OCC)OCC	C78400
PADEL_SubFP295	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_SubFP295	N(C)(C)C	C75503
PADEL_SubFP295	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_SubFP295	ClCCOP(OCCCl)OCCCl	C140089
PADEL_SubFP295	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_SubFP295	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_SubFP295	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP295	OCCc1ccccc1	C60128
PADEL_SubFP295	O=C(O)c1ccccc1O	C69727
PADEL_SubFP295	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_SubFP295	N#CC(C)C	C78820
PADEL_SubFP295	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_SubFP295	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_SubFP295	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_SubFP295	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_SubFP295	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_SubFP295	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_SubFP295	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_SubFP295	O=C(O)c1ccc(O)cc1	C99967
PADEL_SubFP295	O=C(C)OCC(CC)CCCC	C103093
PADEL_SubFP295	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_SubFP295	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_SubFP295	O=C1OCC(C)O1	C108327
PADEL_SubFP295	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_SubFP295	Sc1ccccc1	C108985
PADEL_SubFP295	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_SubFP295	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_SubFP295	O=C(OC)CCCCCCCCC	C110429
PADEL_SubFP295	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_SubFP295	N1CCCCCC1	C111499
PADEL_SubFP295	O=C(C)OCCOC(=O)C	C111557
PADEL_SubFP295	O=C(C)OCCOCCCC	C112072
PADEL_SubFP295	CCCCCCCCCCCCN(C)C	C112185
PADEL_SubFP295	OCCOCCOCCOC	C112356
PADEL_SubFP295	OCCOCCOCCOCCO	C112607
PADEL_SubFP295	OCC(CO)(CO)CO	C115775
PADEL_SubFP295	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_SubFP295	O=Cc1ccc(OC)cc1	C123115
PADEL_SubFP295	OC(CCCCCC)C	C123966
PADEL_SubFP295	OCC(N)(C)C	C124685
PADEL_SubFP295	OCC(C)(C)CO	C126307
PADEL_SubFP295	Oc1ccc2ccccc2c1	C135193
PADEL_SubFP295	[O-]c1ccccc1.[Na+]	C139026
PADEL_SubFP295	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_SubFP295	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_SubFP295	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_SubFP295	O=C1NCCC1	C616455
PADEL_SubFP295	O=COC(C)C	C625558
PADEL_SubFP295	OC(C)COc1ccccc1	C770354
PADEL_SubFP295	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_SubFP295	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_SubFP295	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP295	O=C(N(C)C)CCCCCCC	C1118929
PADEL_SubFP295	Nc1cccc(C)c1C	C1300738
PADEL_SubFP295	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_SubFP295	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_SubFP295	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_SubFP295	OCCOCCOCCOCCOCCCC	C1559348
PADEL_SubFP295	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_SubFP295	OC1CCCCCCCCCCC1	C1724396
PADEL_SubFP295	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_SubFP295	O=C(N(C)C)CC(=O)C	C2044646
PADEL_SubFP295	NNC(=S)NN	C2231574
PADEL_SubFP295	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_SubFP295	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_SubFP295	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP295	OCCOCCC	C2807309
PADEL_SubFP295	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP295	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_SubFP295	O=C(CCl)[O-].[Na+]	C3926623
PADEL_SubFP295	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_SubFP295	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_SubFP295	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_SubFP295	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_SubFP295	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_SubFP295	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP295	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_SubFP295	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_SubFP295	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_SubFP295	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_SubFP295	Nc1c(C)cccc1CC	C24549062
PADEL_SubFP295	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_SubFP295	CC(CO)O	C25322694
PADEL_SubFP295	SC(C)(C)CCCCCC	C25360105
PADEL_SubFP295	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_SubFP295	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_SubFP295	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_SubFP295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP295	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP295	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_SubFP295	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_SubFP295	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_SubFP295	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_SubFP295	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_SubFP295	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_SubFP295	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_SubFP295	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_SubFP295	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_SubFP295	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_SubFP295	OC(CCCC(C)C)(C)CC	C78693
PADEL_SubFP295	OCC1OCCC1	C97994
PADEL_SubFP295	O=C(c1ccc(O)cc1)C	C99934
PADEL_SubFP295	CN1CCOCC1	C109024
PADEL_SubFP295	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_SubFP295	O=C1CCCC1	C120923
PADEL_SubFP295	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_SubFP295	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_SubFP295	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_SubFP295	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP295	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP295	O=C(C=C(C)C)C	C141797
PADEL_SubFP295	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_SubFP295	OC(C)COCCC	C1569013
PADEL_SubFP295	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_SubFP295	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_SubFP295	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP295	OCC(CCC)CCCCC	C10042598
PADEL_SubFP295	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_SubFP295	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_SubFP295	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_SubFP295	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_SubFP295	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_SubFP295	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_SubFP295	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_SubFP295	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_SubFP295	n1c[nH]cc1	C288324
PADEL_SubFP295	OC1CC(CCC1C(C)C)C	C1490046
PADEL_SubFP295	N#C[S-].[NH4+]	C1762954
PADEL_SubFP295	OCCC(C)CC(C)(C)C	C3452979
PADEL_SubFP295	OC(OCCCC)CC	C29387868
PADEL_SubFP295	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP295	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_SubFP295	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_SubFP295	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP295	O=C1NC2NC(=O)NC2N1	C496468
PADEL_SubFP295	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_SubFP295	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_SubFP295	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_SubFP295	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_SubFP295	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_SubFP295	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_SubFP295	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_SubFP295	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_SubFP295	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_SubFP295	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_SubFP295	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_SubFP295	OCn1nc(C)cc1C	C85264331
PADEL_SubFP295	OCCSCCCCCCCC	C3547339
PADEL_SubFP295	Clc1c(Cl)ssc1=O	C1192525
PADEL_SubFP295	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_SubFP295	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_SubFP295	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_SubFP295	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_SubFP295	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_SubFP295	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_SubFP295	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_SubFP295	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_SubFP295	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_SubFP295	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_SubFP295	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_SubFP295	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_SubFP295	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_SubFP295	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_SubFP295	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_SubFP295	OC1CCCC1	C96413
PADEL_SubFP295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP295	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_SubFP295	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_SubFP295	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_SubFP295	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP295	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_SubFP295	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_SubFP295	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_SubFP295	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_SubFP295	O=C1OC(CCCCC)CC1	C104610
PADEL_SubFP295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_SubFP295	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_SubFP295	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP295	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_SubFP295	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_SubFP295	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP295	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP295	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP295	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_SubFP295	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_SubFP295	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_SubFP295	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP295	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_SubFP295	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_SubFP295	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_SubFP295	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_SubFP295	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_SubFP295	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP295	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_SubFP295	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_SubFP295	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_SubFP295	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_SubFP295	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP295	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_SubFP295	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_SubFP295	OC(CCCCC)C=C	C3391864
PADEL_SubFP295	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_SubFP295	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP295	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP295	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP295	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP295	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_SubFP295	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_SubFP295	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP295	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP295	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_SubFP295	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_SubFP295	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_SubFP295	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP295	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_SubFP295	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_SubFP295	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_SubFP295	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP295	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_SubFP295	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_SubFP295	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_SubFP295	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_SubFP295	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_SubFP295	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_SubFP295	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_SubFP295	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_SubFP295	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_SubFP295	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_SubFP295	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_SubFP295	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_SubFP295	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_SubFP295	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP295	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_SubFP295	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_SubFP295	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_SubFP295	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP295	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_SubFP295	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP295	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_SubFP295	O=C(CC)OCC	C105373
PADEL_SubFP295	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_SubFP295	O=C(c1ccccc1O)C	C118934
PADEL_SubFP295	O=C1OCC(CC)O1	C4437858
PADEL_SubFP295	O=C(CBr)OCc1ccccc1	C5437456
PADEL_SubFP295	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP295	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_SubFP295	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_SubFP295	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_SubFP295	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_SubFP295	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_SubFP295	Nc1ccc(CCCCC)cc1	C33228443
PADEL_SubFP295	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_SubFP295	O=C(OCC)c1c(C)cccc1	C87241
PADEL_SubFP295	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_SubFP295	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_SubFP295	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_SubFP295	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_SubFP295	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_SubFP295	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_SubFP295	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_SubFP295	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_SubFP295	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_SubFP295	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP295	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP295	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_SubFP295	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_SubFP295	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_SubFP295	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_SubFP295	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_SubFP295	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_SubFP295	CC(O)COCC	C1569024
PADEL_SubFP295	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_SubFP295	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_SubFP295	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_SubFP295	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_SubFP295	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP295	Oc1ccccc1CN(C)C	C120650
PADEL_SubFP295	O=C1CCC(O1)CC	C695067
PADEL_SubFP295	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_SubFP295	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_SubFP295	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_SubFP295	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_SubFP295	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_SubFP295	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_SubFP295	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_SubFP295	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_SubFP295	O=C(Nc1ccccc1)CCl	C587655
PADEL_SubFP295	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_SubFP295	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_SubFP295	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_SubFP295	OC(CCCC(C)C)(C)C	C13254347
PADEL_SubFP295	O=C/C=C/CCC	C6728263
PADEL_SubFP295	O1C=CCCC1	C110872
PADEL_SubFP295	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_SubFP295	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP295	OC(CC(C)C)(C)C#C	C107540
PADEL_SubFP295	O=C(C)OCC/C=C\CC	C3681718
PADEL_SubFP295	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_SubFP295	OCC=Cc1ccccc1	C104541
PADEL_SubFP295	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_SubFP295	O=CCC/C=C\CCCCC	C21662099
PADEL_SubFP295	O=c1ccoc(CC)c1O	C4940118
PADEL_SubFP295	NCCCN1CCOCC1	C123002
PADEL_SubFP295	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP295	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_SubFP295	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_SubFP295	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_SubFP295	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_SubFP295	O=C(CCC)OCCCCC	C540181
PADEL_SubFP295	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_SubFP295	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_SubFP295	O=C(C)OC(C)c1ccccc1	C93925
PADEL_SubFP295	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP295	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_SubFP295	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP295	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP295	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_SubFP295	N#Cc1c(O)cccc1	C611201
PADEL_SubFP295	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_SubFP295	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_SubFP295	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_SubFP295	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP295	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP295	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP295	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP295	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP295	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP295	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP295	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_SubFP295	OC1CC(C)(C)CC(C)C1	C116029
PADEL_SubFP295	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_SubFP295	OP(OCC)OCC	C762049
PADEL_SubFP295	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_SubFP295	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_SubFP295	OCCOCC(CC)CCCC	C1559359
PADEL_SubFP295	O=C(CC)CCCCC	C106683
PADEL_SubFP295	OCCN(CC)CCO	C139877
PADEL_SubFP295	CCOC(OCC)OCC	C122510
PADEL_SubFP295	CCO[Si](OCC)(OCC)CC	C78079
PADEL_SubFP295	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_SubFP295	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_SubFP295	O=C(CF)O	C144490
PADEL_SubFP295	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_SubFP295	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_SubFP295	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_SubFP295	O=C(CCC)OCCCCCCC	C5870939
PADEL_SubFP295	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_SubFP295	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_SubFP295	Oc1cc(C(C)C)ccc1C	C499752
PADEL_SubFP295	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_SubFP295	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_SubFP295	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_SubFP295	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_SubFP295	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP295	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_SubFP295	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_SubFP295	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_SubFP295	S=C(NC)NC	C534134
PADEL_SubFP295	OC(C)C(=O)OCCCC	C138227
PADEL_SubFP295	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_SubFP295	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_SubFP295	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_SubFP295	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_SubFP295	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_SubFP295	Oc1c(OCC)cccc1	C94713
PADEL_SubFP295	Oc1ccc(C(C)C)cc1	C99898
PADEL_SubFP295	COc1ccc(CCC)cc1	C104450
PADEL_SubFP295	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_SubFP295	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_SubFP295	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP295	CO[Si](C)(C)OC	C1112396
PADEL_SubFP295	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_SubFP295	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP295	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP295	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP295	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP295	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP295	OC(CO)c1ccccc1	C93561
PADEL_SubFP295	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_SubFP295	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_SubFP295	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_SubFP295	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_SubFP295	CCO[Si](OCC)(C)OCC	C2031676
PADEL_SubFP295	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_SubFP295	CO[Si](OC)(CCC)OC	C1067250
PADEL_SubFP295	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_SubFP295	O=C(N)Nc1ccccc1	C64108
PADEL_SubFP295	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_SubFP295	O=C(C)OCCCCCCCC	C112141
PADEL_SubFP295	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP295	NNC(=S)NC	C6610293
PADEL_SubFP295	Oc1c(C(C)C)cccc1	C88697
PADEL_SubFP295	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_SubFP295	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_SubFP295	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_SubFP295	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP295	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP295	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_SubFP295	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP295	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP295	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP295	NCCN.I.I	C5700492
PADEL_SubFP295	Oc1cc(C(C)C)ccc1	C618451
PADEL_SubFP295	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_SubFP295	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP295	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP295	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP295	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP295	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP295	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_SubFP295	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_SubFP295	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_SubFP295	OCC(CCCC)CCCCCC	C3913028
PADEL_SubFP295	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP295	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_SubFP295	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_SubFP295	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_SubFP295	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_SubFP295	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP295	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_SubFP295	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP295	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP295	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP295	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_SubFP295	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP295	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_SubFP295	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP295	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_SubFP295	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_SubFP295	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_SubFP295	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_SubFP295	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_SubFP295	Oc1ccc(CCCC)cc1	C1638228
PADEL_SubFP295	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP295	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_SubFP295	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP295	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_SubFP295	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP295	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_SubFP295	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_SubFP295	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_SubFP295	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP295	OCCOCC(C)OCCO	C9003116
PADEL_SubFP295	O=C1OC(CCC)CC1	C105215
PADEL_SubFP295	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_SubFP295	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_SubFP295	c12ccccc1c1c(cccc1)s2	C132650
PADEL_SubFP295	C=O	C50000
PADEL_SubFP295	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_SubFP295	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_SubFP295	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_SubFP295	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP295	Nc1ccc(CCC)cc1	C2696846
PADEL_SubFP295	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_SubFP295	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_SubFP295	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_SubFP295	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_SubFP295	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_SubFP295	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_SubFP295	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_SubFP295	Sc1ccc(C)cc1	C106456
PADEL_SubFP295	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_SubFP295	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_SubFP295	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_SubFP295	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_SubFP295	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_SubFP295	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_SubFP295	O=C1CCC(CCC)CC1	C40649363
PADEL_SubFP295	Nc1ccc(cc1)OCCCC	C4344552
PADEL_SubFP295	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_SubFP295	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_SubFP295	O=C(c1ccccc1)C(C)C	C611701
PADEL_SubFP295	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_SubFP295	OC1CCC(CCCC)CC1	C70568604
PADEL_SubFP295	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_SubFP295	O=C(OC)c1c(C)cccc1	C89714
PADEL_SubFP295	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_SubFP295	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_SubFP295	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_SubFP295	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP295	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_SubFP295	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_SubFP295	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_SubFP295	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_SubFP295	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_SubFP295	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_SubFP295	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_SubFP295	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_SubFP295	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_SubFP295	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_SubFP295	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_SubFP295	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_SubFP295	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP295	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_SubFP295	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_SubFP295	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_SubFP295	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_SubFP295	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_SubFP295	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_SubFP295	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_SubFP295	S=C1NCCN1	C96457
PADEL_SubFP295	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_SubFP295	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_SubFP295	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_SubFP295	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_SubFP295	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_SubFP295	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_SubFP295	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_SubFP295	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP295	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_SubFP295	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP295	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_SubFP295	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP295	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP295	Oc1c(cccc1)c1ccccc1	C90437
PADEL_SubFP295	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_SubFP295	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_SubFP295	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_SubFP295	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_SubFP295	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_SubFP295	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_SubFP295	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_SubFP295	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_SubFP295	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_SubFP295	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP295	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_SubFP295	c1ccccc1Nc1ccccc1	C122394
PADEL_SubFP295	c1ccccc1OCCO	C122996
PADEL_SubFP295	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_SubFP295	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_SubFP295	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_SubFP295	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_SubFP295	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_SubFP295	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_SubFP295	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_SubFP295	CSC(=NOC(=O)NC)C	C16752775
PADEL_SubFP295	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_SubFP295	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_SubFP295	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_SubFP295	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_SubFP295	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_SubFP295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_SubFP295	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_SubFP295	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_SubFP295	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_SubFP295	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_SubFP295	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_SubFP295	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_SubFP295	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_SubFP295	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_SubFP295	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_SubFP295	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP295	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_SubFP295	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_SubFP295	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_SubFP295	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_SubFP295	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_SubFP295	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_SubFP295	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_SubFP295	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_SubFP295	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_SubFP295	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_SubFP295	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_SubFP295	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP295	CCCN(CCC)C(=O)SCC	C759944
PADEL_SubFP295	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_SubFP295	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_SubFP295	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_SubFP295	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_SubFP295	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_SubFP295	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_SubFP295	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_SubFP295	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP295	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP295	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_SubFP295	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_SubFP295	NP(=O)(OC)SC	C10265926
PADEL_SubFP295	OCCOC	C109864
PADEL_SubFP295	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_SubFP295	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_SubFP295	O=C(SCC)N1CCCCCC1	C2212671
PADEL_SubFP295	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_SubFP295	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_SubFP295	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_SubFP295	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_SubFP295	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_SubFP295	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP295	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_SubFP295	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP295	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_SubFP295	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP295	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_SubFP295	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_SubFP295	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_SubFP295	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_SubFP295	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_SubFP295	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_SubFP295	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_SubFP295	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_SubFP295	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_SubFP295	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_SubFP295	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_SubFP295	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_SubFP295	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_SubFP295	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_SubFP295	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_SubFP295	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_SubFP295	CN1CN(C)CSC1=S	C533744
PADEL_SubFP295	C(SC#N)SC#N	C6317186
PADEL_SubFP295	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_SubFP295	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_SubFP295	S=C=NC	C556616
PADEL_SubFP295	O=C(NCCCC)OCC#CI	C55406536
PADEL_SubFP295	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_SubFP295	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_SubFP295	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_SubFP295	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_SubFP295	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_SubFP295	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP295	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_SubFP295	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_SubFP295	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_SubFP295	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_SubFP295	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_SubFP295	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_SubFP295	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_SubFP295	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_SubFP295	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_SubFP295	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_SubFP295	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_SubFP295	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP295	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_SubFP295	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_SubFP295	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_SubFP295	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_SubFP295	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_SubFP295	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP295	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP295	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_SubFP295	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_SubFP295	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_SubFP295	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_SubFP295	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_SubFP295	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_SubFP295	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_SubFP295	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_SubFP295	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_SubFP295	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_SubFP295	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_SubFP295	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_SubFP295	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_SubFP295	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_SubFP295	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_SubFP295	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_SubFP295	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_SubFP295	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP295	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_SubFP295	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP295	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_SubFP295	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_SubFP295	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_SubFP295	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_SubFP295	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_SubFP295	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_SubFP295	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_SubFP295	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_SubFP295	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_SubFP295	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_SubFP295	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_SubFP295	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_SubFP295	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_SubFP295	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_SubFP295	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_SubFP295	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP295	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_SubFP295	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_SubFP295	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_SubFP295	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_SubFP295	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_SubFP295	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_SubFP295	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_SubFP295	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_SubFP295	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_SubFP295	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_SubFP295	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_SubFP295	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_SubFP295	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP295	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_SubFP295	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_SubFP295	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP295	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_SubFP295	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_SubFP295	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_SubFP295	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_SubFP295	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_SubFP295	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_SubFP295	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_SubFP295	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_SubFP295	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_SubFP295	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_SubFP295	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_SubFP295	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_SubFP295	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_SubFP295	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_SubFP295	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP295	N#CN	C420042
PADEL_SubFP295	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_SubFP295	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_SubFP295	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_SubFP295	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_SubFP295	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP295	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_SubFP295	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_SubFP295	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_SubFP295	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_SubFP295	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_SubFP295	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_SubFP295	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_SubFP295	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_SubFP295	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_SubFP295	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_SubFP295	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_SubFP295	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_SubFP295	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_SubFP295	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP295	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_SubFP295	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP295	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_SubFP295	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_SubFP295	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_SubFP295	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_SubFP295	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_SubFP295	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_SubFP295	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_SubFP295	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_SubFP295	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP295	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_SubFP295	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_SubFP295	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_SubFP295	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_SubFP295	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_SubFP295	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_SubFP295	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_SubFP295	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_SubFP295	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_SubFP295	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP295	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_SubFP295	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_SubFP295	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_SubFP295	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_SubFP295	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_SubFP295	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_SubFP295	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_SubFP295	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_SubFP295	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_SubFP295	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_SubFP295	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP295	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP295	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP295	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_SubFP295	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_SubFP295	NC(=O)C=C	C79061
PADEL_SubFP295	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_SubFP295	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_SubFP295	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_SubFP295	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP295	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_SubFP295	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP295	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_SubFP295	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP295	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_SubFP295	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP295	c1coc2c1cccc2	C271896
PADEL_SubFP295	OC(=O)c1ccccc1	C65850
PADEL_SubFP295	OCc1ccccc1	C100516
PADEL_SubFP295	OCC(CO)(CBr)CBr	C3296900
PADEL_SubFP295	ClCCOCCCl	C111444
PADEL_SubFP295	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP295	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_SubFP295	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP295	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_SubFP295	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_SubFP295	O=C1CCCO1	C96480
PADEL_SubFP295	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_SubFP295	O=C1CCCCCN1	C105602
PADEL_SubFP295	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_SubFP295	Oc1c(cccc1)O	C120809
PADEL_SubFP295	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_SubFP295	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_SubFP295	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP295	Nc1c(ccc(c1)Cl)N	C95830
PADEL_SubFP295	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_SubFP295	O=C(c1ccccc1)CCl	C532274
PADEL_SubFP295	Nc1ccc(cc1)Cl	C106478
PADEL_SubFP295	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_SubFP295	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_SubFP295	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_SubFP295	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_SubFP295	O=c1oc2c(cccc2)cc1	C91645
PADEL_SubFP295	Nc1cc(ccc1OC)C	C120718
PADEL_SubFP295	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_SubFP295	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_SubFP295	Nc1c(ccc(c1)N)C	C95807
PADEL_SubFP295	OC(=O)C(Cl)Cl	C79436
PADEL_SubFP295	Clc1c(ccc(c1)Cl)O	C120832
PADEL_SubFP295	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_SubFP295	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_SubFP295	OCCOCCO	C111466
PADEL_SubFP295	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_SubFP295	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_SubFP295	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_SubFP295	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_SubFP295	CN(c1ccccc1)C	C121697
PADEL_SubFP295	O=C(N(C)C)Cl	C79447
PADEL_SubFP295	CN(C=O)C	C68122
PADEL_SubFP295	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP295	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP295	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP295	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_SubFP295	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_SubFP295	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_SubFP295	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP295	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_SubFP295	C(CO)O	C107211
PADEL_SubFP295	O1C2C1CCC(C2)C1CO1	C106876
PADEL_SubFP295	CCC(CCCC)CO	C104767
PADEL_SubFP295	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_SubFP295	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_SubFP295	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_SubFP295	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_SubFP295	O=Cc1ccco1	C98011
PADEL_SubFP295	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP295	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_SubFP295	OCC(O)CO	C56815
PADEL_SubFP295	OCC1CO1	C556525
PADEL_SubFP295	C1N2CN3CN(C2)CN1C3	C100970
PADEL_SubFP295	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_SubFP295	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_SubFP295	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_SubFP295	Oc1ccc(cc1)O	C123319
PADEL_SubFP295	Oc1cccc2cccnc12	C148243
PADEL_SubFP295	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_SubFP295	O=C(c1ccncc1)NN	C54853
PADEL_SubFP295	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_SubFP295	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_SubFP295	Sc1nc2c(cccc2)s1	C149304
PADEL_SubFP295	[nH]1c(=S)n(cc1)C	C60560
PADEL_SubFP295	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_SubFP295	CS(=O)(=O)OC	C66273
PADEL_SubFP295	O=C1N(CCC1)C	C872504
PADEL_SubFP295	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_SubFP295	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_SubFP295	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_SubFP295	Cc1cc2cccnc2cc1	C91623
PADEL_SubFP295	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_SubFP295	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_SubFP295	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_SubFP295	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_SubFP295	Nc1cc2c(cccc2)cc1	C91598
PADEL_SubFP295	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_SubFP295	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_SubFP295	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP295	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP295	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP295	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP295	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP295	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP295	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP295	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP295	O=NN(CCCC)CCCC	C924163
PADEL_SubFP295	CCN(CC)N=O	C55185
PADEL_SubFP295	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_SubFP295	O=NN(CCC)CCC	C621647
PADEL_SubFP295	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_SubFP295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_SubFP295	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_SubFP295	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP295	Oc1ccccc1	C108952
PADEL_SubFP295	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_SubFP295	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_SubFP295	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_SubFP295	Nc1cc(ccc1)N	C108452
PADEL_SubFP295	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_SubFP295	C1CNCCN1	C110850
PADEL_SubFP295	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_SubFP295	O=S1(=O)CCCO1	C1120714
PADEL_SubFP295	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_SubFP295	CC(CO)O	C57556
PADEL_SubFP295	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_SubFP295	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_SubFP295	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_SubFP295	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_SubFP295	Oc1cc(ccc1)O	C108463
PADEL_SubFP295	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_SubFP295	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_SubFP295	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_SubFP295	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_SubFP295	OC(=O)C=CC=CC	C110441
PADEL_SubFP295	C1C(c2ccccc2)O1	C96093
PADEL_SubFP295	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_SubFP295	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_SubFP295	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_SubFP295	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_SubFP295	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_SubFP295	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_SubFP295	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_SubFP295	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_SubFP295	OCCN(CCO)CCO	C102716
PADEL_SubFP295	OCCOCCOCCO	C112276
PADEL_SubFP295	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_SubFP295	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_SubFP295	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_SubFP295	C(=O)(N)N	C57136
PADEL_SubFP295	NC(=O)OCC	C51796
PADEL_SubFP295	O=C1N(C=C)CCC1	C88120
PADEL_SubFP295	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP295	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP295	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP295	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_SubFP295	OC(=O)CCC	C107926
PADEL_SubFP295	CCCCOCCOCCO	C112345
PADEL_SubFP295	Oc1ccccc1Cl	C95578
PADEL_SubFP295	CCCCCCCCCC(=O)O	C334485
PADEL_SubFP295	CC(Cl)(Cl)C(=O)O	C75990
PADEL_SubFP295	O=C(O)CCCCCC	C111148
PADEL_SubFP295	OC(=O)CCCCC(=O)O	C124049
PADEL_SubFP295	CCCCCC(=O)O	C142621
PADEL_SubFP295	CCCCCCCCC(=O)O	C112050
PADEL_SubFP295	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_SubFP295	CCCCCCCC=O	C124130
PADEL_SubFP295	CCCCCCCC(=O)O	C124072
PADEL_SubFP295	CCCCC=O	C110623
PADEL_SubFP295	Oc1cc(C)c(Cl)cc1	C59507
PADEL_SubFP295	CC1(C)NC(=O)NC1=O	C77714
PADEL_SubFP295	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_SubFP295	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_SubFP295	n1cccc2c1cccc2	C91225
PADEL_SubFP295	CCN(CC)c1ccccc1	C91667
PADEL_SubFP295	Oc1c(C)cccc1	C95487
PADEL_SubFP295	CCC(=NO)C	C96297
PADEL_SubFP295	c1ccccc1C(=O)C	C98862
PADEL_SubFP295	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP295	CN(C)c1ccc(C)cc1	C99978
PADEL_SubFP295	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP295	CCN(CCO)CC	C100378
PADEL_SubFP295	CCNc1cc(C)ccc1	C102272
PADEL_SubFP295	Oc1c(C)cc(C)cc1	C105679
PADEL_SubFP295	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_SubFP295	Oc1ccc(C)cc1	C106445
PADEL_SubFP295	Nc1ccc(C)cc1	C106490
PADEL_SubFP295	ClCCO	C107073
PADEL_SubFP295	CC(=O)OCCOCC	C111159
PADEL_SubFP295	OCCNCCO	C111422
PADEL_SubFP295	N#CCCCCC#N	C111693
PADEL_SubFP295	CCCCCCCCO	C111875
PADEL_SubFP295	CCOCCOCCO	C111900
PADEL_SubFP295	CCCCCCCCCCO	C112301
PADEL_SubFP295	CCCCCCCCCCCCCO	C112709
PADEL_SubFP295	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_SubFP295	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_SubFP295	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_SubFP295	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_SubFP295	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_SubFP295	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP295	c1cccc2c3ccccc3oc12	C132649
PADEL_SubFP295	OCCN	C141435
PADEL_SubFP295	Oc1c(C)cc(C)cc1C	C527606
PADEL_SubFP295	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP295	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP295	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_SubFP295	Oc1c(C)c(C)ccc1C	C2416946
PADEL_SubFP295	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_SubFP295	c1(c(O)cccc1)C(CC)C	C89725
PADEL_SubFP295	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_SubFP295	Oc1ccc(C=CC)cc1OC	C97541
PADEL_SubFP295	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_SubFP295	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_SubFP295	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_SubFP295	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_SubFP295	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_SubFP295	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_SubFP295	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_SubFP295	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_SubFP295	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_SubFP295	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_SubFP295	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_SubFP295	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_SubFP295	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP295	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_SubFP295	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_SubFP295	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_SubFP295	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_SubFP295	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_SubFP295	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_SubFP295	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_SubFP295	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_SubFP295	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_SubFP295	C(=O)(O)C(CCC)CCC	C99661
PADEL_SubFP295	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_SubFP295	O=N(=O)c1ccc(C)cc1	C99990
PADEL_SubFP295	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_SubFP295	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_SubFP295	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_SubFP295	Nc1c(OC)cccc1	C90040
PADEL_SubFP295	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_SubFP295	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_SubFP295	NC1CCCCC1	C108918
PADEL_SubFP295	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_SubFP295	O=S(=O)(OCC)OCC	C64675
PADEL_SubFP295	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_SubFP295	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_SubFP295	O=S(=O)(OC)OC	C77781
PADEL_SubFP295	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_SubFP295	Oc1cc(C)c(C)cc1	C95658
PADEL_SubFP295	Oc1c(cccc1C)C	C576261
PADEL_SubFP295	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP295	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP295	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_SubFP295	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_SubFP295	CCOCCO	C110805
PADEL_SubFP295	CCCCOCCO	C111762
PADEL_SubFP295	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_SubFP295	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP295	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_SubFP295	O=C=NCCCCCCN=C=O	C822060
PADEL_SubFP295	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP295	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_SubFP295	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_SubFP295	OCCOCCOCCOCC	C112505
PADEL_SubFP295	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_SubFP295	ON=CC(C)(C)SC	C1646759
PADEL_SubFP295	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP295	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_SubFP295	O=C(O)c1ccc(N)cc1	C150130
PADEL_SubFP295	Oc1c(ccc(N)c1)C	C2835952
PADEL_SubFP295	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_SubFP295	O(CCOC)CCOC	C111966
PADEL_SubFP295	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_SubFP295	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_SubFP295	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_SubFP295	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_SubFP295	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_SubFP295	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_SubFP295	O(O)C(c1ccccc1)(C)C	C80159
PADEL_SubFP295	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_SubFP295	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_SubFP295	Nc1cc(C)ccc1N	C496720
PADEL_SubFP295	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_SubFP295	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_SubFP295	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP295	OC(CCl)CCl	C96231
PADEL_SubFP295	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_SubFP295	O(CCOC)CCO	C111773
PADEL_SubFP295	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_SubFP295	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_SubFP295	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_SubFP295	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_SubFP295	COC(=O)CCCC(=O)OC	C1119400
PADEL_SubFP295	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP295	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP295	Oc1c(ccc(C)c1)C	C95874
PADEL_SubFP295	C(=O)(OC)CCC(=O)OC	C106650
PADEL_SubFP295	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_SubFP295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP295	N(c1ccccc1)CC	C103695
PADEL_SubFP295	O=C(O)C(CCCC)CC	C149575
PADEL_SubFP295	C(=O)(N)NO	C127071
PADEL_SubFP295	C(CC(C)C)OC(=O)C	C123922
PADEL_SubFP295	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_SubFP295	o1c(C)c(O)c(=O)cc1	C118718
PADEL_SubFP295	O=C(OC)c1c(N)cccc1	C134203
PADEL_SubFP295	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_SubFP295	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_SubFP295	O=C(OC)c1c(O)cccc1	C119368
PADEL_SubFP295	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP295	O=c1ccsn1CCCCCCCC	C26530201
PADEL_SubFP295	Nc1c(N)cccc1	C95545
PADEL_SubFP295	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_SubFP295	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP295	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP295	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_SubFP295	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_SubFP295	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_SubFP295	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_SubFP295	Nc1c(cccc1)C	C95534
PADEL_SubFP295	N(CCCC)(CCCC)CCCC	C102829
PADEL_SubFP295	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_SubFP295	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_SubFP295	C(OCCOC)COCCOC	C112492
PADEL_SubFP295	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_SubFP295	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_SubFP295	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_SubFP295	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_SubFP295	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP295	Nc1c(cccc1C)C	C87627
PADEL_SubFP295	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_SubFP295	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_SubFP295	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_SubFP295	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_SubFP295	N#Cc1cnccc1	C100549
PADEL_SubFP295	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_SubFP295	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_SubFP295	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_SubFP295	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_SubFP295	OCCC(C)CCC=C(C)C	C106229
PADEL_SubFP295	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_SubFP295	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_SubFP295	OCCC(O)C	C107880
PADEL_SubFP295	OC(CC(C)C)C	C108112
PADEL_SubFP295	Nc1cccc(C)c1	C108441
PADEL_SubFP295	O=C(OC)CCCCCCC	C111115
PADEL_SubFP295	O=C(OC)CCCCCCCCCCC	C111820
PADEL_SubFP295	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP295	OCCOCCCCCC	C112254
PADEL_SubFP295	OCCCCCCCCCCC	C112425
PADEL_SubFP295	OCCCCCCCCCCCC	C112538
PADEL_SubFP295	OCCCCCCCCCCCCCC	C112721
PADEL_SubFP295	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_SubFP295	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_SubFP295	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_SubFP295	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_SubFP295	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_SubFP295	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP295	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_SubFP295	[nH]1ncnc1	C288880
PADEL_SubFP295	c1(c2ccncc2)ccncc1	C553264
PADEL_SubFP295	Nc1c(CC)cccc1CC	C579668
PADEL_SubFP295	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP295	O=C(C)OCCCCC	C628637
PADEL_SubFP295	OCCCCCCCCCCCCCCC	C629765
PADEL_SubFP295	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP295	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_SubFP295	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_SubFP295	Nc1cccc(C)c1N	C2687254
PADEL_SubFP295	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_SubFP295	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_SubFP295	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_SubFP295	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_SubFP295	O=C(O)C(O)CC(=O)O	C6915157
PADEL_SubFP295	OC(OC(O)CC)CC	C25265718
PADEL_SubFP295	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_SubFP295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_SubFP295	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_SubFP295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_SubFP295	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_SubFP295	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_SubFP295	OC(OCCCOC)CC	C34590948
PADEL_SubFP295	OCCCCCCCCCCCCCCCC	C36653824
PADEL_SubFP295	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_SubFP295	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_SubFP295	O=C(OC)CC(=O)OC	C108598
PADEL_SubFP295	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_SubFP295	CCC12N(COC1)COC2	C7747355
PADEL_SubFP295	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_SubFP295	O=C(N)C(=C)C	C79390
PADEL_SubFP295	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_SubFP295	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_SubFP295	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_SubFP295	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_SubFP295	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_SubFP295	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_SubFP295	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_SubFP295	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_SubFP295	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_SubFP295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP295	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_SubFP295	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_SubFP295	S=P(OCC)(OCC)SCSCC	C298022
PADEL_SubFP295	O=Cc1ccccc1C=O	C643798
PADEL_SubFP295	O=c1[nH]sc2c1cccc2	C2634335
PADEL_SubFP295	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP295	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_SubFP295	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_SubFP295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_SubFP295	Nn1cnnc1	C584134
PADEL_SubFP295	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_SubFP295	O=c1n(C)sc(Cl)c1	C26172554
PADEL_SubFP295	O=C1CCC(O1)CCCCCCC	C104676
PADEL_SubFP295	Oc1cc(C)ccc1C(C)C	C89838
PADEL_SubFP295	O=C(O)CCCCCCCCC=C	C112389
PADEL_SubFP295	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_SubFP295	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_SubFP295	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_SubFP295	CCCCCCCCN(C)C	C7378996
PADEL_SubFP295	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_SubFP295	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_SubFP295	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP295	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_SubFP295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_SubFP295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_SubFP295	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_SubFP295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_SubFP295	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_SubFP295	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_SubFP295	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_SubFP295	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_SubFP295	O=C(OCC)CCC(=O)OCC	C123251
PADEL_SubFP295	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_SubFP295	O=C(CCC)OCC	C105544
PADEL_SubFP295	O=C(OCC)CCCCCC	C106309
PADEL_SubFP295	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP295	O=C(OCCCC)c1ccccc1	C136607
PADEL_SubFP295	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_SubFP295	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_SubFP295	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_SubFP295	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_SubFP295	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_SubFP295	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_SubFP295	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_SubFP295	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_SubFP295	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_SubFP295	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_SubFP295	O=C(CCC)OCCC(C)C	C106274
PADEL_SubFP295	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_SubFP295	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_SubFP295	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_SubFP295	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP295	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP295	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP295	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_SubFP295	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_SubFP295	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_SubFP295	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_SubFP295	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_SubFP295	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_SubFP295	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_SubFP295	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_SubFP295	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP295	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_SubFP295	O=C(C)NC	C79163
PADEL_SubFP295	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_SubFP295	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_SubFP295	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP295	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_SubFP295	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_SubFP295	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_SubFP295	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_SubFP295	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP295	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_SubFP295	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_SubFP295	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_SubFP295	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_SubFP295	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_SubFP295	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_SubFP295	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_SubFP295	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_SubFP295	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_SubFP295	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP295	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_SubFP295	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_SubFP295	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_SubFP295	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_SubFP295	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_SubFP295	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_SubFP295	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_SubFP295	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_SubFP295	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_SubFP295	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_SubFP295	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_SubFP295	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_SubFP295	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_SubFP295	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_SubFP295	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_SubFP295	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP295	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP295	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_SubFP295	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_SubFP295	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_SubFP295	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_SubFP295	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_SubFP295	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_SubFP295	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_SubFP295	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_SubFP295	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_SubFP295	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_SubFP295	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_SubFP295	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_SubFP295	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_SubFP295	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_SubFP295	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_SubFP295	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_SubFP295	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_SubFP295	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_SubFP295	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_SubFP295	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_SubFP295	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_SubFP295	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_SubFP295	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_SubFP295	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_SubFP295	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_SubFP295	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_SubFP295	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_SubFP295	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_SubFP295	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_SubFP295	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_SubFP295	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP295	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_SubFP295	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP295	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_SubFP295	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_SubFP295	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP295	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP295	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_SubFP295	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_SubFP295	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_SubFP295	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_SubFP295	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_SubFP295	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_SubFP295	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_SubFP295	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_SubFP295	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_SubFP295	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_SubFP295	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_SubFP295	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_SubFP295	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_SubFP295	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_SubFP295	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_SubFP295	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_SubFP295	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_SubFP295	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_SubFP295	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_SubFP295	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_SubFP295	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_SubFP295	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_SubFP295	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_SubFP295	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_SubFP295	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_SubFP295	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP295	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_SubFP295	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_SubFP295	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_SubFP295	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_SubFP295	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_SubFP295	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_SubFP295	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP295	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_SubFP295	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_SubFP295	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_SubFP295	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_SubFP295	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_SubFP295	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_SubFP295	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_SubFP295	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP295	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_SubFP295	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_SubFP295	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_SubFP295	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_SubFP295	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_SubFP295	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_SubFP295	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_SubFP295	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_SubFP295	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_SubFP295	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_SubFP295	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_SubFP295	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_SubFP295	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_SubFP295	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_SubFP295	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_SubFP295	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_SubFP295	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_SubFP295	C(=O)N	C75127
PADEL_SubFP295	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_SubFP295	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_SubFP295	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_SubFP295	OC(C(CC)CCCC)C#C	C5877429
PADEL_SubFP295	N#CC(Br)Br	C3252435
PADEL_SubFP295	OCCCBr	C627189
PADEL_SubFP295	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP295	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_SubFP295	C(=O)(C)O	C64197
PADEL_SubFP295	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP295	C(CO)C(C)C	C123513
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_SubFP295	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_SubFP295	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_SubFP295	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP295	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_SubFP295	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_SubFP295	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_SubFP295	NCCOCCOCCN	C929599
PADEL_SubFP295	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP295	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_SubFP295	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP295	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_SubFP295	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_SubFP295	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_SubFP295	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP295	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_SubFP295	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_SubFP295	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_SubFP295	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_SubFP295	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_SubFP295	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_SubFP295	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_SubFP295	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_SubFP295	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP295	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_SubFP295	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_SubFP295	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_SubFP295	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_SubFP295	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_SubFP295	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_SubFP295	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_SubFP295	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_SubFP295	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_SubFP295	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_SubFP295	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_SubFP295	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP295	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_SubFP295	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_SubFP295	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_SubFP295	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_SubFP295	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_SubFP295	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP295	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP295	OCCC(OC)C	C2517433
PADEL_SubFP295	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP295	S=C(NCCCC)NCCCC	C109466
PADEL_SubFP295	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_SubFP295	O=CCC(C)CCC=C(C)C	C106230
PADEL_SubFP295	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_SubFP295	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_SubFP295	O=COCC	C109944
PADEL_SubFP295	O=C(OCC)c1ccccc1	C93890
PADEL_SubFP295	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP295	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_SubFP295	NCc1cccc(CN)c1	C1477550
PADEL_SubFP295	O=CCCSC	C3268493
PADEL_SubFP295	N(CCN(C)C)(C)C	C110189
PADEL_SubFP295	CCN(CC)CC	C121448
PADEL_SubFP295	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_SubFP295	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_SubFP295	CC(=O)OCC	C141786
PADEL_SubFP295	CC(=O)OCCCC	C123864
PADEL_SubFP295	CC(=O)CCC(C)C	C110123
PADEL_SubFP295	n1cc(C)ccc1	C108996
PADEL_SubFP295	CC(=O)CC(C)C	C108101
PADEL_SubFP295	NCCN	C107153
PADEL_SubFP295	CC(C)C=O	C78842
PADEL_SubFP295	CCCCCC=O	C66251
PADEL_SubFP295	CCCC=O	C123728
PADEL_SubFP295	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_SubFP295	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_SubFP295	CCC1CO1	C106887
PADEL_SubFP295	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_SubFP295	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP295	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP295	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP295	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_SubFP295	CC1CC(=O)O1	C3068880
PADEL_SubFP295	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_SubFP295	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_SubFP295	Clc1ccc(N)cc1.Cl	C20265967
PADEL_SubFP295	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_SubFP295	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_SubFP295	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_SubFP295	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_SubFP295	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_SubFP295	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_SubFP295	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_SubFP295	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_SubFP295	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP295	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_SubFP295	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP295	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP295	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP295	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP295	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_SubFP295	NNc1ccccc1.Cl	C59881
PADEL_SubFP295	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_SubFP295	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_SubFP295	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_SubFP295	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_SubFP295	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_SubFP295	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_SubFP295	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_SubFP295	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_SubFP295	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_SubFP295	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_SubFP295	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_SubFP295	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_SubFP295	N#Cc1ccccc1	C100470
PADEL_SubFP295	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP295	O=C(CCl)CCl	C534076
PADEL_SubFP295	CC(c1ccc(CO)cc1)C	C536607
PADEL_SubFP295	CC(=O)C(=O)O	C127173
PADEL_SubFP295	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_SubFP295	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_SubFP295	CN(C)c1ccc(C=O)cc1	C100107
PADEL_SubFP295	Nc1ccc(Br)cc1	C106401
PADEL_SubFP295	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_SubFP295	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_SubFP295	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_SubFP295	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_SubFP295	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_SubFP295	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_SubFP295	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_SubFP295	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_SubFP295	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_SubFP295	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_SubFP295	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_SubFP295	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_SubFP295	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_SubFP295	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_SubFP295	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_SubFP295	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_SubFP295	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_SubFP295	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_SubFP295	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_SubFP295	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP295	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_SubFP295	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_SubFP295	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_SubFP295	Nc1ccc(OC)cc1	C104949
PADEL_SubFP295	c12ccccc1ccc1c2cccn1	C85029
PADEL_SubFP295	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_SubFP295	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_SubFP295	O=CC=CC=CCCCCC	C25152845
PADEL_SubFP295	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_SubFP295	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP295	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_SubFP295	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_SubFP295	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_SubFP295	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP295	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_SubFP295	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP295	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP295	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_SubFP295	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_SubFP295	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_SubFP295	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_SubFP295	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_SubFP295	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP295	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_SubFP295	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_SubFP295	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_SubFP295	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_SubFP295	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_SubFP295	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_SubFP295	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_SubFP295	OCC=C(C)C	C556821
PADEL_SubFP295	ClC(=O)C(CC)CCCC	C760678
PADEL_SubFP295	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_SubFP295	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP295	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_SubFP295	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_SubFP295	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP295	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_SubFP295	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_SubFP295	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_SubFP295	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_SubFP295	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_SubFP295	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_SubFP295	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_SubFP295	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_SubFP295	OCc1c[nH]c2c1cccc2	C700061
PADEL_SubFP295	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP295	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_SubFP295	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP295	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_SubFP295	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_SubFP295	O=c1cc(C)o[nH]1	C10004441
PADEL_SubFP295	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_SubFP295	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_SubFP295	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP295	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_SubFP295	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_SubFP295	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_SubFP295	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_SubFP295	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_SubFP295	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_SubFP295	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_SubFP295	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_SubFP295	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_SubFP295	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_SubFP295	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_SubFP295	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP295	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_SubFP295	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP295	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_SubFP295	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_SubFP295	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_SubFP295	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_SubFP295	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_SubFP295	O=CCCCCCCCCC=C	C112458
PADEL_SubFP295	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_SubFP295	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_SubFP295	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_SubFP295	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_SubFP295	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP295	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP295	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP295	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_SubFP295	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_SubFP295	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_SubFP295	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_SubFP295	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP295	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_SubFP295	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_SubFP295	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_SubFP295	O=P(OCCCC)(O)OCCCC	C107664
PADEL_SubFP295	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_SubFP295	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_SubFP295	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_SubFP295	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_SubFP295	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP295	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_SubFP295	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_SubFP295	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_SubFP295	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_SubFP295	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_SubFP295	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_SubFP295	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP295	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP295	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_SubFP295	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_SubFP295	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_SubFP295	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP295	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_SubFP295	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP295	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_SubFP295	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_SubFP295	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_SubFP295	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_SubFP295	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP295	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP295	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_SubFP295	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP295	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP295	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_SubFP295	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_SubFP295	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_SubFP295	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP295	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_SubFP295	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_SubFP295	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_SubFP295	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_SubFP295	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_SubFP295	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_SubFP295	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_SubFP295	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_SubFP295	N#CSCCCCCCCCCCCC	C765151
PADEL_SubFP295	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_SubFP295	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_SubFP295	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_SubFP295	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_SubFP295	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_SubFP295	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP295	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_SubFP295	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_SubFP295	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_SubFP295	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_SubFP295	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_SubFP295	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_SubFP295	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_SubFP295	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP295	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_SubFP295	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_SubFP295	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_SubFP295	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_SubFP295	O=CN1CCCCC1	C2591868
PADEL_SubFP295	O=C(O)CCSCCC(=O)O	C111171
PADEL_SubFP295	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP295	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_SubFP295	CCCCCCCCCCCCN.Cl	C929737
PADEL_SubFP295	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP295	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP295	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_SubFP295	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_SubFP295	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_SubFP295	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_SubFP295	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_SubFP295	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP295	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_SubFP295	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_SubFP295	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_SubFP295	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP295	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_SubFP295	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP295	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP295	O=C(OC)CCCC(=O)O	C1501275
PADEL_SubFP295	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_SubFP295	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_SubFP295	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_SubFP295	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_SubFP295	O=C(OCCCCO)C=C	C2478106
PADEL_SubFP295	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP295	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP295	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_SubFP295	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_SubFP295	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_SubFP295	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_SubFP295	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_SubFP295	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_SubFP295	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_SubFP295	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_SubFP295	NCCCOCCCCCCCC	C15930662
PADEL_SubFP295	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_SubFP295	Nc1cccc(C)n1	C1824813
PADEL_SubFP295	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_SubFP295	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_SubFP295	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_SubFP295	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_SubFP295	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_SubFP295	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_SubFP295	CC1COc2ccccc2N1	C32329207
PADEL_SubFP295	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_SubFP295	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_SubFP295	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP295	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_SubFP295	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_SubFP295	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_SubFP295	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_SubFP295	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_SubFP295	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_SubFP295	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_SubFP295	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_SubFP295	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_SubFP295	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_SubFP295	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_SubFP295	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP295	O=C/C=C/CCCCCCC	C3913813
PADEL_SubFP295	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_SubFP295	SC1CCCC1	C1679078
PADEL_SubFP295	COC(OC)C(C)c1ccccc1	C90879
PADEL_SubFP295	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_SubFP295	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP295	S=C=NCCCSC	C505793
PADEL_SubFP295	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_SubFP295	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_SubFP295	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_SubFP295	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_SubFP295	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_SubFP295	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_SubFP295	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_SubFP295	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_SubFP295	CC/C=C\CCOC(OCC)C	C28069741
PADEL_SubFP295	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_SubFP295	NNC(=O)OCc1ccccc1	C5331431
PADEL_SubFP295	c1(SSc2cccs2)cccs1	C6911519
PADEL_SubFP295	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_SubFP295	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_SubFP295	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_SubFP295	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP295	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_SubFP295	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_SubFP295	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_SubFP295	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_SubFP295	CCCCCCCCCC(C)C=O	C110418
PADEL_SubFP295	O=COCc1ccc(OC)cc1	C122918
PADEL_SubFP295	CCCCCc1ccco1	C3777693
PADEL_SubFP295	CCC(=O)C(=O)CC	C4437518
PADEL_SubFP295	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_SubFP295	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_SubFP296	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP296	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP296	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_SubFP296	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP296	O=[N+](CC)[O-]	C79243
PADEL_SubFP296	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP296	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP296	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP296	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP296	F[B-](F)(F)F.[Na+]	C13755298
PADEL_SubFP296	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP296	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP296	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP296	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_SubFP296	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP296	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP296	[Na+].[O-]C(=O)CF	C62748
PADEL_SubFP296	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP296	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP296	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP296	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP296	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP296	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP296	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP296	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP296	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP296	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP296	[O-]c1ccccc1.[Na+]	C139026
PADEL_SubFP296	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP296	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP296	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP296	O=C(CCl)[O-].[Na+]	C3926623
PADEL_SubFP296	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_SubFP296	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP296	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_SubFP296	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_SubFP296	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP296	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP296	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP296	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP296	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP296	N#C[S-].[NH4+]	C1762954
PADEL_SubFP296	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_SubFP296	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP296	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP296	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP296	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP296	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP296	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP296	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP296	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP296	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP296	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP296	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP296	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_SubFP296	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP296	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP296	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP296	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP296	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP296	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP296	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP296	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP296	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_SubFP296	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP296	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP296	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP296	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP296	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP296	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_SubFP296	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP296	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP296	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP296	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP296	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP296	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP296	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP296	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP296	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP296	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP296	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP296	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP296	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP296	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP296	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP296	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP296	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP296	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP296	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP296	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP296	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP296	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP296	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP296	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP296	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP296	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP296	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP296	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP296	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP296	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP296	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP296	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP296	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP296	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP296	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP296	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP296	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP296	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP296	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP296	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP296	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP296	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP296	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_SubFP296	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP296	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP296	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP296	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP296	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP296	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP296	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP296	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP296	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP296	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP296	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP296	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP296	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP296	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP296	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP296	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP296	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP296	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP296	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP296	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP296	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP296	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP296	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP296	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP296	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP296	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP296	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP296	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP296	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP296	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP296	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP296	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP296	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP296	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP296	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP296	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP296	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP296	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP296	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP296	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_SubFP296	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP296	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP296	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP296	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP296	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP296	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP296	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP296	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP296	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP296	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP296	[Hg+2].[Cl-].[Cl-]	C7487947
PADEL_SubFP296	O=N[O-].[Na+]	C7632000
PADEL_SubFP296	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP296	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP296	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP296	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP296	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP296	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP296	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP296	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP296	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP296	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP296	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP296	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP296	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP296	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP296	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP296	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP296	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP296	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP296	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP296	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP296	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP296	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP296	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP296	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_SubFP296	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP296	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP296	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP296	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP296	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP296	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP296	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP296	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP296	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP296	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_SubFP296	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP296	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP296	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP296	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP296	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP296	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_SubFP296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_SubFP296	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_SubFP296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_SubFP296	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP296	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP296	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP296	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP296	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP296	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP296	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP296	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP296	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP296	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP296	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP296	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP296	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP296	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP296	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP296	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP296	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP296	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_SubFP296	[Na+].[O-][Cl]=O	C7758192
PADEL_SubFP296	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP296	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP296	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP296	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP296	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP296	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP296	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP296	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP296	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP296	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP296	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP296	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP296	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP296	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP296	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP296	[Cl-].[Cd+2].[Cl-]	C10108642
PADEL_SubFP296	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP296	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP296	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP296	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP296	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP296	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP296	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP296	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP296	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP296	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP296	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP296	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP296	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP296	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP296	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP296	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP296	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_SubFP296	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP296	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP296	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP296	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP296	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP296	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP296	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP296	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP296	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP296	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP296	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP296	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP296	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP296	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP296	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP296	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP296	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP296	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_SubFP296	[Hg+2].[I-].[I-]	C7774290
PADEL_SubFP296	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP296	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP296	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP296	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP296	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP296	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_SubFP296	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP296	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP296	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP296	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP296	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP296	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP296	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP296	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP296	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP296	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP297	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP297	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP297	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_SubFP297	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP297	O=[N+](CC)[O-]	C79243
PADEL_SubFP297	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP297	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP297	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP297	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP297	F[B-](F)(F)F.[Na+]	C13755298
PADEL_SubFP297	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP297	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP297	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP297	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_SubFP297	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP297	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP297	[Na+].[O-]C(=O)CF	C62748
PADEL_SubFP297	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP297	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP297	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP297	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP297	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP297	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP297	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP297	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP297	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP297	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP297	[O-]c1ccccc1.[Na+]	C139026
PADEL_SubFP297	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP297	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP297	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP297	O=C(CCl)[O-].[Na+]	C3926623
PADEL_SubFP297	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_SubFP297	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP297	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_SubFP297	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_SubFP297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP297	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP297	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP297	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP297	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP297	N#C[S-].[NH4+]	C1762954
PADEL_SubFP297	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_SubFP297	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP297	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP297	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP297	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP297	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP297	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP297	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP297	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP297	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP297	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP297	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP297	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_SubFP297	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP297	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP297	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP297	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP297	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP297	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP297	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP297	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP297	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_SubFP297	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP297	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP297	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP297	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP297	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP297	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_SubFP297	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP297	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP297	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP297	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP297	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP297	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP297	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP297	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP297	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP297	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP297	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP297	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP297	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP297	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP297	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP297	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP297	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP297	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP297	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP297	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP297	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP297	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP297	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP297	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP297	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP297	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP297	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP297	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP297	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP297	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP297	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP297	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP297	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP297	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP297	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP297	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP297	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP297	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP297	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP297	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP297	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP297	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP297	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_SubFP297	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP297	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP297	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP297	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP297	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP297	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP297	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP297	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP297	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP297	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP297	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP297	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP297	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP297	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP297	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP297	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP297	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP297	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP297	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP297	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP297	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP297	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP297	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP297	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP297	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP297	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP297	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP297	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP297	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP297	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP297	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP297	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP297	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP297	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP297	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP297	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP297	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP297	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_SubFP297	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP297	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP297	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP297	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP297	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP297	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP297	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP297	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP297	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP297	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP297	[Hg+2].[Cl-].[Cl-]	C7487947
PADEL_SubFP297	O=N[O-].[Na+]	C7632000
PADEL_SubFP297	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP297	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP297	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP297	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP297	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP297	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP297	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP297	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP297	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP297	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP297	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP297	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP297	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP297	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP297	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP297	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP297	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP297	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP297	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP297	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP297	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP297	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP297	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_SubFP297	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP297	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP297	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP297	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP297	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP297	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP297	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP297	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP297	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_SubFP297	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP297	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP297	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP297	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP297	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP297	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_SubFP297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_SubFP297	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_SubFP297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_SubFP297	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP297	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP297	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP297	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP297	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP297	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP297	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP297	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP297	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP297	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP297	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP297	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP297	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP297	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP297	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP297	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP297	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP297	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_SubFP297	[Na+].[O-][Cl]=O	C7758192
PADEL_SubFP297	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP297	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP297	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP297	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP297	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP297	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP297	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP297	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP297	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP297	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP297	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP297	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP297	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP297	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP297	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP297	[Cl-].[Cd+2].[Cl-]	C10108642
PADEL_SubFP297	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP297	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP297	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP297	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP297	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP297	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP297	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP297	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP297	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP297	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP297	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP297	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP297	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP297	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP297	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP297	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_SubFP297	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP297	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP297	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP297	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP297	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP297	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP297	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP297	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP297	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP297	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP297	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP297	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP297	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP297	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP297	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP297	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP297	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP297	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_SubFP297	[Hg+2].[I-].[I-]	C7774290
PADEL_SubFP297	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP297	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP297	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP297	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP297	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP297	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_SubFP297	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP297	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP297	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP297	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP297	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP297	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP297	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP297	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP297	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP297	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP298	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP298	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP298	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_SubFP298	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP298	O=[N+](CC)[O-]	C79243
PADEL_SubFP298	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP298	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP298	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP298	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP298	F[B-](F)(F)F.[Na+]	C13755298
PADEL_SubFP298	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP298	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP298	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP298	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_SubFP298	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP298	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP298	[Na+].[O-]C(=O)CF	C62748
PADEL_SubFP298	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP298	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP298	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP298	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP298	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP298	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP298	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP298	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP298	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP298	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP298	[O-]c1ccccc1.[Na+]	C139026
PADEL_SubFP298	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP298	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP298	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP298	O=C(CCl)[O-].[Na+]	C3926623
PADEL_SubFP298	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_SubFP298	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP298	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_SubFP298	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_SubFP298	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP298	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP298	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP298	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP298	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP298	N#C[S-].[NH4+]	C1762954
PADEL_SubFP298	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_SubFP298	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP298	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP298	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP298	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP298	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP298	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP298	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP298	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP298	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP298	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP298	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP298	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_SubFP298	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP298	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP298	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP298	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP298	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP298	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP298	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP298	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP298	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_SubFP298	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP298	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP298	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP298	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP298	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP298	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_SubFP298	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP298	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP298	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP298	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP298	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP298	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP298	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP298	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP298	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP298	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP298	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP298	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP298	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP298	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP298	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP298	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP298	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP298	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP298	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP298	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP298	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP298	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP298	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP298	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP298	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP298	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP298	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP298	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP298	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP298	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP298	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP298	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP298	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP298	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP298	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP298	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP298	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP298	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP298	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP298	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP298	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP298	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP298	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_SubFP298	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP298	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP298	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP298	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP298	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP298	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP298	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP298	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP298	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP298	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP298	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP298	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP298	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP298	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP298	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP298	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP298	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP298	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP298	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP298	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP298	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP298	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP298	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP298	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP298	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP298	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP298	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP298	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP298	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP298	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP298	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP298	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP298	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP298	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP298	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP298	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP298	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP298	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP298	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP298	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_SubFP298	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP298	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP298	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP298	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP298	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP298	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP298	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP298	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP298	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP298	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP298	[Hg+2].[Cl-].[Cl-]	C7487947
PADEL_SubFP298	O=N[O-].[Na+]	C7632000
PADEL_SubFP298	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP298	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP298	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP298	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP298	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP298	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP298	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP298	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP298	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP298	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP298	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP298	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP298	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP298	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP298	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP298	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP298	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP298	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP298	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP298	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP298	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP298	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP298	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP298	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_SubFP298	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP298	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP298	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP298	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP298	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP298	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP298	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP298	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP298	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP298	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_SubFP298	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP298	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP298	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP298	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP298	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP298	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP298	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_SubFP298	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_SubFP298	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_SubFP298	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_SubFP298	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP298	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP298	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP298	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP298	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP298	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP298	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP298	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP298	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP298	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP298	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP298	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP298	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP298	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP298	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP298	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP298	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP298	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_SubFP298	[Na+].[O-][Cl]=O	C7758192
PADEL_SubFP298	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP298	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP298	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP298	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP298	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP298	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP298	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP298	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP298	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP298	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP298	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP298	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP298	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP298	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP298	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP298	[Cl-].[Cd+2].[Cl-]	C10108642
PADEL_SubFP298	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP298	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP298	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP298	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP298	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP298	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP298	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP298	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP298	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP298	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP298	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP298	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP298	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP298	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP298	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP298	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP298	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_SubFP298	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP298	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP298	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP298	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP298	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP298	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP298	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP298	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP298	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP298	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP298	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP298	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP298	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP298	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP298	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP298	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP298	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP298	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_SubFP298	[Hg+2].[I-].[I-]	C7774290
PADEL_SubFP298	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP298	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP298	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP298	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP298	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP298	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_SubFP298	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP298	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP298	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP298	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP298	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP298	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP298	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP298	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP298	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP298	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP299	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_SubFP299	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_SubFP299	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_SubFP299	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_SubFP299	O=[N+](CC)[O-]	C79243
PADEL_SubFP299	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_SubFP299	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_SubFP299	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_SubFP299	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_SubFP299	F[B-](F)(F)F.[Na+]	C13755298
PADEL_SubFP299	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_SubFP299	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_SubFP299	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_SubFP299	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_SubFP299	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_SubFP299	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_SubFP299	[Na+].[O-]C(=O)CF	C62748
PADEL_SubFP299	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_SubFP299	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_SubFP299	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_SubFP299	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_SubFP299	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_SubFP299	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_SubFP299	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_SubFP299	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_SubFP299	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_SubFP299	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_SubFP299	[O-]c1ccccc1.[Na+]	C139026
PADEL_SubFP299	O=C(N)[O-].[NH4+]	C1111780
PADEL_SubFP299	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_SubFP299	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_SubFP299	O=C(CCl)[O-].[Na+]	C3926623
PADEL_SubFP299	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_SubFP299	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_SubFP299	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_SubFP299	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_SubFP299	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_SubFP299	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_SubFP299	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_SubFP299	[S-]C(=S)NC.[Na+]	C137428
PADEL_SubFP299	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_SubFP299	N#C[S-].[NH4+]	C1762954
PADEL_SubFP299	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_SubFP299	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_SubFP299	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_SubFP299	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_SubFP299	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_SubFP299	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_SubFP299	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_SubFP299	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_SubFP299	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_SubFP299	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_SubFP299	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_SubFP299	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_SubFP299	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_SubFP299	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_SubFP299	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_SubFP299	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_SubFP299	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_SubFP299	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_SubFP299	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_SubFP299	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_SubFP299	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_SubFP299	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_SubFP299	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_SubFP299	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_SubFP299	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_SubFP299	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_SubFP299	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_SubFP299	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_SubFP299	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_SubFP299	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_SubFP299	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_SubFP299	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_SubFP299	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_SubFP299	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_SubFP299	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_SubFP299	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_SubFP299	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_SubFP299	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_SubFP299	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_SubFP299	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_SubFP299	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_SubFP299	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_SubFP299	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_SubFP299	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_SubFP299	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_SubFP299	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_SubFP299	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_SubFP299	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_SubFP299	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_SubFP299	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_SubFP299	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_SubFP299	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_SubFP299	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_SubFP299	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_SubFP299	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_SubFP299	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_SubFP299	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_SubFP299	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_SubFP299	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_SubFP299	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_SubFP299	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_SubFP299	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_SubFP299	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_SubFP299	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_SubFP299	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_SubFP299	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_SubFP299	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_SubFP299	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_SubFP299	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_SubFP299	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_SubFP299	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_SubFP299	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_SubFP299	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_SubFP299	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_SubFP299	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_SubFP299	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_SubFP299	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_SubFP299	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_SubFP299	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_SubFP299	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_SubFP299	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_SubFP299	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_SubFP299	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_SubFP299	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_SubFP299	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_SubFP299	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_SubFP299	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_SubFP299	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_SubFP299	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_SubFP299	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_SubFP299	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_SubFP299	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_SubFP299	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_SubFP299	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_SubFP299	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_SubFP299	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_SubFP299	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_SubFP299	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_SubFP299	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_SubFP299	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_SubFP299	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_SubFP299	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_SubFP299	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_SubFP299	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_SubFP299	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_SubFP299	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_SubFP299	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_SubFP299	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_SubFP299	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_SubFP299	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_SubFP299	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_SubFP299	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_SubFP299	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_SubFP299	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_SubFP299	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_SubFP299	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_SubFP299	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_SubFP299	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_SubFP299	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_SubFP299	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_SubFP299	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_SubFP299	[Hg+2].[Cl-].[Cl-]	C7487947
PADEL_SubFP299	O=N[O-].[Na+]	C7632000
PADEL_SubFP299	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_SubFP299	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_SubFP299	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_SubFP299	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_SubFP299	O=[N+](c1ccccc1)[O-]	C98953
PADEL_SubFP299	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_SubFP299	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_SubFP299	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_SubFP299	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_SubFP299	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_SubFP299	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_SubFP299	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_SubFP299	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_SubFP299	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_SubFP299	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_SubFP299	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_SubFP299	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_SubFP299	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_SubFP299	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_SubFP299	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_SubFP299	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_SubFP299	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_SubFP299	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_SubFP299	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_SubFP299	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_SubFP299	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_SubFP299	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_SubFP299	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_SubFP299	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_SubFP299	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_SubFP299	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_SubFP299	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_SubFP299	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_SubFP299	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_SubFP299	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_SubFP299	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_SubFP299	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_SubFP299	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_SubFP299	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_SubFP299	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_SubFP299	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_SubFP299	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_SubFP299	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_SubFP299	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_SubFP299	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_SubFP299	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_SubFP299	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_SubFP299	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_SubFP299	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_SubFP299	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_SubFP299	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_SubFP299	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_SubFP299	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_SubFP299	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_SubFP299	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_SubFP299	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_SubFP299	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_SubFP299	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_SubFP299	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_SubFP299	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_SubFP299	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_SubFP299	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_SubFP299	[Na+].[O-][Cl]=O	C7758192
PADEL_SubFP299	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_SubFP299	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_SubFP299	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_SubFP299	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_SubFP299	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_SubFP299	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_SubFP299	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_SubFP299	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_SubFP299	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_SubFP299	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_SubFP299	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_SubFP299	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_SubFP299	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_SubFP299	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_SubFP299	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_SubFP299	[Cl-].[Cd+2].[Cl-]	C10108642
PADEL_SubFP299	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_SubFP299	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_SubFP299	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_SubFP299	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_SubFP299	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_SubFP299	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_SubFP299	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_SubFP299	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_SubFP299	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_SubFP299	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_SubFP299	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_SubFP299	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_SubFP299	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_SubFP299	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_SubFP299	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_SubFP299	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_SubFP299	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_SubFP299	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_SubFP299	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_SubFP299	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_SubFP299	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_SubFP299	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_SubFP299	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_SubFP299	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_SubFP299	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_SubFP299	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_SubFP299	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_SubFP299	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_SubFP299	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_SubFP299	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_SubFP299	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_SubFP299	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_SubFP299	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_SubFP299	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_SubFP299	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_SubFP299	[Hg+2].[I-].[I-]	C7774290
PADEL_SubFP299	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_SubFP299	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_SubFP299	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_SubFP299	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_SubFP299	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_SubFP299	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_SubFP299	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_SubFP299	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_SubFP299	N#C[Au-]C#N.[K+]	C13967505
PADEL_SubFP299	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_SubFP299	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_SubFP299	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_SubFP299	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_SubFP299	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_SubFP299	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_SubFP299	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_SubFP304	O=C(N)N=NC(=O)N	C123773
PADEL_KR1	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR1	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR1	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR1	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR1	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR1	CC(CNCC(C)O)O	C110974
PADEL_KR1	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR1	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR1	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR1	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR1	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR1	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR1	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR1	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR1	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1	OC(CO)CCl	C96242
PADEL_KR1	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR1	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR1	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR1	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR1	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR1	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR1	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR1	ClCC(Cl)CCl	C96184
PADEL_KR1	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR1	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR1	OC(C)CN	C78966
PADEL_KR1	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR1	CC(O)CC(C)(C)O	C107415
PADEL_KR1	C1CCCCC1O	C108930
PADEL_KR1	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR1	C=CC(Cl)CCl	C760236
PADEL_KR1	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR1	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR1	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR1	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR1	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR1	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR1	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR1	C(=O)(O)C(C)O	C50215
PADEL_KR1	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR1	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR1	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR1	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR1	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR1	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR1	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR1	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR1	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR1	CC(O)COC	C107982
PADEL_KR1	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR1	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR1	C(OCCCC)C1CO1	C2426086
PADEL_KR1	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR1	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR1	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR1	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR1	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR1	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR1	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR1	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1	C(CC)(C=O)CCCC	C123057
PADEL_KR1	OCC(C(O)CCC)CC	C94962
PADEL_KR1	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR1	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR1	CC=C1CC2C=CC1C2	C16219753
PADEL_KR1	O(C(C)C)C(=O)C	C108214
PADEL_KR1	N#CC(CCC#N)C	C4553622
PADEL_KR1	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR1	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR1	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR1	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR1	N#CC(C)C	C78820
PADEL_KR1	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR1	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR1	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR1	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR1	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR1	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR1	O=C1OCC(C)O1	C108327
PADEL_KR1	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR1	OC(CCCCCC)C	C123966
PADEL_KR1	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR1	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR1	O=COC(C)C	C625558
PADEL_KR1	OC(C)COc1ccccc1	C770354
PADEL_KR1	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR1	OC1CCCCCCCCCCC1	C1724396
PADEL_KR1	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR1	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR1	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR1	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR1	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR1	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR1	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR1	CC(CO)O	C25322694
PADEL_KR1	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR1	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR1	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR1	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR1	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR1	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR1	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR1	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR1	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1	OCC1OCCC1	C97994
PADEL_KR1	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR1	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR1	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR1	OC(C)COCCC	C1569013
PADEL_KR1	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR1	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR1	OCC(CCC)CCCCC	C10042598
PADEL_KR1	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR1	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR1	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR1	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR1	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR1	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR1	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR1	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR1	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR1	OC(OCCCC)CC	C29387868
PADEL_KR1	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR1	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR1	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR1	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR1	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR1	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1	OC1CCCC1	C96413
PADEL_KR1	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR1	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR1	O=C1OC(CCCCC)CC1	C104610
PADEL_KR1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR1	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR1	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR1	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR1	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR1	OC(CCCCC)C=C	C3391864
PADEL_KR1	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR1	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR1	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR1	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR1	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR1	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR1	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR1	O=C1OCC(CC)O1	C4437858
PADEL_KR1	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR1	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR1	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR1	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR1	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR1	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR1	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR1	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR1	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR1	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR1	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR1	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR1	CC(O)COCC	C1569024
PADEL_KR1	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR1	O=C1CCC(O1)CC	C695067
PADEL_KR1	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR1	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR1	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR1	OC(CC(C)C)(C)C#C	C107540
PADEL_KR1	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1	CCC(c1ccccc1)CCC	C4468422
PADEL_KR1	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR1	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR1	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR1	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR1	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR1	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR1	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR1	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR1	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR1	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR1	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR1	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR1	OCCOCC(CC)CCCC	C1559359
PADEL_KR1	CCOC(OCC)OCC	C122510
PADEL_KR1	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR1	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR1	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR1	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR1	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR1	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR1	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR1	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR1	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR1	OC(C)C(=O)OCCCC	C138227
PADEL_KR1	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR1	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR1	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR1	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR1	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR1	OC(CO)c1ccccc1	C93561
PADEL_KR1	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR1	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR1	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR1	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR1	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1	Oc1c(C(C)C)cccc1	C88697
PADEL_KR1	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR1	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR1	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR1	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR1	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR1	OCC(CCCC)CCCCCC	C3913028
PADEL_KR1	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR1	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR1	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR1	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR1	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR1	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR1	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR1	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR1	OCCOCC(C)OCCO	C9003116
PADEL_KR1	O=C1OC(CCC)CC1	C105215
PADEL_KR1	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR1	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR1	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR1	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR1	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR1	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR1	O=C1CCC(CCC)CC1	C40649363
PADEL_KR1	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR1	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR1	OC1CCC(CCCC)CC1	C70568604
PADEL_KR1	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR1	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR1	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR1	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR1	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR1	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR1	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR1	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR1	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR1	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR1	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR1	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR1	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR1	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR1	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR1	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR1	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR1	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR1	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR1	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR1	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR1	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR1	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR1	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR1	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR1	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR1	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR1	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR1	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR1	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR1	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR1	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR1	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR1	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR1	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR1	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR1	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR1	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR1	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR1	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR1	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR1	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR1	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR1	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR1	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR1	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR1	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR1	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR1	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR1	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR1	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR1	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR1	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR1	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR1	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR1	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR1	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR1	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR1	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR1	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR1	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR1	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR1	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR1	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR1	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR1	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR1	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR1	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR1	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR1	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR1	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR1	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR1	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR1	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR1	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR1	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR1	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR1	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR1	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR1	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR1	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR1	OC(=O)C(Cl)Cl	C79436
PADEL_KR1	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR1	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR1	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR1	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR1	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR1	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR1	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR1	CCC(CCCC)CO	C104767
PADEL_KR1	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR1	OCC(O)CO	C56815
PADEL_KR1	OCC1CO1	C556525
PADEL_KR1	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR1	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR1	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR1	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1	CC(CO)O	C57556
PADEL_KR1	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR1	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1	C1C(c2ccccc2)O1	C96093
PADEL_KR1	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR1	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR1	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR1	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR1	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR1	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR1	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR1	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR1	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR1	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR1	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR1	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR1	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR1	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR1	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR1	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR1	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR1	NC1CCCCC1	C108918
PADEL_KR1	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR1	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR1	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR1	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR1	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR1	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR1	OC(CCl)CCl	C96231
PADEL_KR1	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR1	O=C(O)C(CCCC)CC	C149575
PADEL_KR1	C(CC(C)C)OC(=O)C	C123922
PADEL_KR1	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR1	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR1	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR1	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR1	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR1	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR1	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR1	CC(C)c1ccc(C)cc1	C99876
PADEL_KR1	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR1	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR1	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR1	OCCC(C)CCC=C(C)C	C106229
PADEL_KR1	OCCC(O)C	C107880
PADEL_KR1	OC(CC(C)C)C	C108112
PADEL_KR1	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR1	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR1	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR1	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR1	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR1	OC(OC(O)CC)CC	C25265718
PADEL_KR1	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR1	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR1	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR1	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR1	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR1	OC(OCCCOC)CC	C34590948
PADEL_KR1	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR1	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR1	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR1	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR1	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR1	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR1	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR1	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR1	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR1	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1	O=C(CCC)OCCC(C)C	C106274
PADEL_KR1	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR1	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR1	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR1	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR1	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR1	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR1	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR1	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR1	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR1	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR1	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR1	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR1	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR1	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR1	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR1	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR1	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR1	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR1	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR1	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR1	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR1	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR1	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR1	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR1	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR1	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR1	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR1	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR1	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR1	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR1	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR1	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR1	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR1	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR1	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR1	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR1	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR1	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR1	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR1	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR1	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR1	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR1	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR1	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR1	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR1	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR1	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR1	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR1	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR1	N#CC(Br)Br	C3252435
PADEL_KR1	C(CO)C(C)C	C123513
PADEL_KR1	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR1	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR1	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR1	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR1	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR1	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR1	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR1	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR1	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR1	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR1	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR1	OCCC(OC)C	C2517433
PADEL_KR1	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR1	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR1	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR1	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR1	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR1	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR1	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1	CC(=O)CCC(C)C	C110123
PADEL_KR1	CC(=O)CC(C)C	C108101
PADEL_KR1	CC(C)C=O	C78842
PADEL_KR1	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR1	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR1	CCC1CO1	C106887
PADEL_KR1	CC1CC(=O)O1	C3068880
PADEL_KR1	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR1	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR1	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR1	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR1	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR1	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR1	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR1	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR1	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR1	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR1	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR1	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR1	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR1	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR1	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR1	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR1	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR1	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR1	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR1	ClC(=O)C(CC)CCCC	C760678
PADEL_KR1	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR1	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR1	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR1	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR1	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR1	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR1	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR1	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR1	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR1	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR1	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR1	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR1	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR1	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR1	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR1	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR1	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR1	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR1	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR1	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR1	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR1	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR1	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR1	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR1	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR1	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR1	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR1	CC1COc2ccccc2N1	C32329207
PADEL_KR1	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR1	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR1	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR1	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1	SC1CCCC1	C1679078
PADEL_KR1	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR1	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR1	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR1	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR1	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR1	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR1	CCCCCCCCCC(C)C=O	C110418
PADEL_KR1	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR2	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR2	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR2	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR2	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR2	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR2	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR2	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR2	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR2	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR2	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR2	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR2	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR2	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR2	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR2	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR2	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR2	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR2	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR2	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR2	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR2	OCC(C(O)CCC)CC	C94962
PADEL_KR2	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR2	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR2	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR2	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR2	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR2	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR2	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR2	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR2	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR2	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR2	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR2	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR2	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR2	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR2	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR2	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR2	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR2	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR2	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR2	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR2	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR2	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR2	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR2	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR2	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR2	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR2	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR2	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR2	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR2	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR2	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR2	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR2	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR2	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR2	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR2	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR2	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR2	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR2	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR2	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR2	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR2	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR2	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR2	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR2	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR2	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR2	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR2	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR2	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR2	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR2	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR2	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR2	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR2	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR2	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR2	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR2	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR2	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR2	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR2	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR2	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR2	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR2	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR2	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR2	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR2	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR2	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR7	OCC(C(O)CCC)CC	C94962
PADEL_KR7	OCC(CCC)CCCCC	C10042598
PADEL_KR7	CCC(c1ccccc1)CCC	C4468422
PADEL_KR7	O=C1OC(CCC)CC1	C105215
PADEL_KR7	O=C1CCC(CCC)CC1	C40649363
PADEL_KR7	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR7	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR7	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR8	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR8	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR8	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR8	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR8	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR8	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR8	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR8	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR8	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR8	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR8	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR8	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR8	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR8	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR8	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR8	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR8	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR8	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR8	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR8	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR8	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR8	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR8	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR8	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR8	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR8	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR8	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR8	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR8	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR8	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR8	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR8	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR8	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR8	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR8	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR8	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR8	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR10	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR10	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR10	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR10	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR10	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR10	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR10	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR10	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR10	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR10	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR10	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR10	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR10	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR10	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR10	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR10	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR10	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR10	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR10	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR10	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR10	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR10	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR10	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR10	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR10	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR10	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR10	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR10	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR10	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR10	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR10	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR10	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR10	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR10	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR10	CC(=O)CC(C)C	C108101
PADEL_KR10	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR10	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR10	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR10	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR10	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR12	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR12	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR12	CC(=O)CC(C)C	C108101
PADEL_KR13	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR13	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR13	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR13	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR13	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR13	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR14	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR14	CC(CNCC(C)O)O	C110974
PADEL_KR14	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR14	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR14	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR14	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR14	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR14	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR14	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR14	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR14	OC(C)CN	C78966
PADEL_KR14	CC(O)CC(C)(C)O	C107415
PADEL_KR14	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR14	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR14	C(=O)(O)C(C)O	C50215
PADEL_KR14	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR14	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR14	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR14	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR14	CC(O)COC	C107982
PADEL_KR14	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR14	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR14	O(C(C)C)C(=O)C	C108214
PADEL_KR14	N#CC(CCC#N)C	C4553622
PADEL_KR14	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR14	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR14	N#CC(C)C	C78820
PADEL_KR14	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR14	O=C1OCC(C)O1	C108327
PADEL_KR14	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR14	OC(CCCCCC)C	C123966
PADEL_KR14	O=COC(C)C	C625558
PADEL_KR14	OC(C)COc1ccccc1	C770354
PADEL_KR14	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR14	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR14	CC(CO)O	C25322694
PADEL_KR14	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR14	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR14	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR14	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR14	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR14	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR14	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR14	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR14	OC(C)COCCC	C1569013
PADEL_KR14	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR14	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR14	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR14	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR14	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR14	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR14	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR14	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR14	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR14	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR14	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR14	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR14	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR14	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR14	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR14	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR14	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR14	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR14	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR14	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR14	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR14	CC(O)COCC	C1569024
PADEL_KR14	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR14	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR14	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR14	OC(CC(C)C)(C)C#C	C107540
PADEL_KR14	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR14	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR14	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR14	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR14	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR14	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR14	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR14	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR14	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR14	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR14	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR14	OC(C)C(=O)OCCCC	C138227
PADEL_KR14	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR14	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR14	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR14	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR14	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR14	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR14	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR14	Oc1c(C(C)C)cccc1	C88697
PADEL_KR14	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR14	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR14	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR14	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR14	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR14	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR14	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR14	OCCOCC(C)OCCO	C9003116
PADEL_KR14	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR14	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR14	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR14	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR14	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR14	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR14	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR14	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR14	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR14	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR14	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR14	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR14	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR14	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR14	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR14	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR14	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR14	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR14	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR14	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR14	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR14	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR14	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR14	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR14	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR14	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR14	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR14	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR14	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR14	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR14	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR14	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR14	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR14	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR14	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR14	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR14	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR14	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR14	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR14	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR14	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR14	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR14	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR14	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR14	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR14	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR14	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR14	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR14	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR14	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR14	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR14	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR14	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR14	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR14	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR14	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR14	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR14	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR14	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR14	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR14	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR14	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR14	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR14	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR14	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR14	CC(CO)O	C57556
PADEL_KR14	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR14	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR14	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR14	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR14	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR14	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR14	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR14	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR14	C(CC(C)C)OC(=O)C	C123922
PADEL_KR14	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR14	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR14	CC(C)c1ccc(C)cc1	C99876
PADEL_KR14	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR14	OCCC(C)CCC=C(C)C	C106229
PADEL_KR14	OCCC(O)C	C107880
PADEL_KR14	OC(CC(C)C)C	C108112
PADEL_KR14	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR14	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR14	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR14	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR14	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR14	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR14	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR14	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR14	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR14	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR14	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR14	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR14	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR14	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR14	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR14	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR14	O=C(CCC)OCCC(C)C	C106274
PADEL_KR14	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR14	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR14	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR14	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR14	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR14	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR14	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR14	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR14	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR14	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR14	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR14	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR14	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR14	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR14	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR14	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR14	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR14	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR14	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR14	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR14	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR14	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR14	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR14	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR14	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR14	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR14	C(CO)C(C)C	C123513
PADEL_KR14	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR14	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR14	OCCC(OC)C	C2517433
PADEL_KR14	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR14	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR14	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR14	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR14	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR14	CC(=O)CCC(C)C	C110123
PADEL_KR14	CC(=O)CC(C)C	C108101
PADEL_KR14	CC(C)C=O	C78842
PADEL_KR14	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR14	CC1CC(=O)O1	C3068880
PADEL_KR14	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR14	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR14	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR14	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR14	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR14	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR14	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR14	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR14	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR14	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR14	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR14	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR14	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR14	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR14	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR14	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR14	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR14	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR14	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR14	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR14	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR14	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR14	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR14	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR14	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR14	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR14	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR14	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR14	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR14	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR14	CC1COc2ccccc2N1	C32329207
PADEL_KR14	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR14	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR14	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR14	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR14	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR14	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR14	CCCCCCCCCC(C)C=O	C110418
PADEL_KR15	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR16	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR16	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR16	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR16	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR16	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR16	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR16	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR16	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR16	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR16	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR16	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR16	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR16	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR16	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR16	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR16	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR16	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR16	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR16	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR16	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR16	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR16	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR16	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR16	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR16	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR16	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR16	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR16	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR16	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR16	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR16	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR16	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR16	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR16	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR17	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR17	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR17	CC(CNCC(C)O)O	C110974
PADEL_KR17	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR17	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR17	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR17	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR17	OC(CO)CCl	C96242
PADEL_KR17	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR17	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR17	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR17	OC(C)CN	C78966
PADEL_KR17	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR17	CC(O)CC(C)(C)O	C107415
PADEL_KR17	C1CCCCC1O	C108930
PADEL_KR17	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR17	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR17	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR17	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR17	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR17	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR17	C(=O)(O)C(C)O	C50215
PADEL_KR17	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR17	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR17	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR17	CC(O)COC	C107982
PADEL_KR17	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR17	OCC(C(O)CCC)CC	C94962
PADEL_KR17	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR17	OC(CCCCCC)C	C123966
PADEL_KR17	OC(C)COc1ccccc1	C770354
PADEL_KR17	OC1CCCCCCCCCCC1	C1724396
PADEL_KR17	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR17	CC(CO)O	C25322694
PADEL_KR17	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR17	OC(C)COCCC	C1569013
PADEL_KR17	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR17	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR17	OC(OCCCC)CC	C29387868
PADEL_KR17	OC1CCCC1	C96413
PADEL_KR17	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR17	OC(CCCCC)C=C	C3391864
PADEL_KR17	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR17	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR17	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR17	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR17	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR17	CC(O)COCC	C1569024
PADEL_KR17	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR17	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR17	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR17	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR17	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR17	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR17	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR17	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR17	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR17	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR17	OC(C)C(=O)OCCCC	C138227
PADEL_KR17	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR17	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR17	OC(CO)c1ccccc1	C93561
PADEL_KR17	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR17	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR17	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR17	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR17	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR17	OC1CCC(CCCC)CC1	C70568604
PADEL_KR17	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR17	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR17	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR17	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR17	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR17	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR17	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR17	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR17	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR17	OCC(O)CO	C56815
PADEL_KR17	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR17	CC(CO)O	C57556
PADEL_KR17	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR17	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR17	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR17	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR17	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR17	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR17	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR17	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR17	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR17	OC(CCl)CCl	C96231
PADEL_KR17	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR17	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR17	OCCC(O)C	C107880
PADEL_KR17	OC(CC(C)C)C	C108112
PADEL_KR17	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR17	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR17	OC(OC(O)CC)CC	C25265718
PADEL_KR17	OC(OCCCOC)CC	C34590948
PADEL_KR17	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR17	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR17	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR17	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR17	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR17	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR17	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR17	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR17	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR17	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR17	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR17	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR17	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR17	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR17	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR17	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR17	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR17	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR17	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR17	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR17	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR17	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR17	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR17	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR17	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR17	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR17	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR17	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR17	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR17	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR17	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR17	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR17	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR17	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR17	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR17	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR18	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR18	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR18	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR18	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR18	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR18	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR18	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR18	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR18	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR18	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR18	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR18	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR18	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR18	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR18	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR18	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR18	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR18	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR18	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR18	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR18	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR18	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR18	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR18	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR18	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR18	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR18	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR18	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR18	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR18	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR18	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR18	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR18	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR18	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR18	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR18	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR18	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR18	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR18	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR18	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR18	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR18	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR18	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR18	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR18	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR18	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR18	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR18	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR18	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR18	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR18	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR18	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR18	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR18	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR18	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR18	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR18	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR18	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR18	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR18	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR18	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR18	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR18	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR18	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR18	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR18	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR18	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR18	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR18	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR18	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR18	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR18	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR18	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR18	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR18	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR18	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR18	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR18	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR18	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR18	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR18	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR18	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR18	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR18	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR18	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR18	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR18	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR18	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR18	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR18	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR18	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR18	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR18	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR18	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR18	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR18	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR18	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR18	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR18	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR18	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR18	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR18	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR18	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR18	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR18	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR18	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR18	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR18	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR18	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR18	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR18	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR18	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR18	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR18	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR18	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR18	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR18	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR18	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR18	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR18	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR18	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR18	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR18	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR18	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR18	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR18	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR18	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR18	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR18	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR18	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR18	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR18	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR18	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR18	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR19	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR19	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR19	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR19	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR19	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR19	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR19	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR19	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR19	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR19	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR19	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR19	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR19	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR19	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR19	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR19	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR19	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR19	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR19	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR19	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR19	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR19	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR19	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR19	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR19	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR19	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR19	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR19	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR19	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR19	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR19	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR19	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR19	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR19	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR19	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR19	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR19	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR19	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR20	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR20	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR20	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR20	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR20	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR20	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR20	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR20	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR20	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR20	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR20	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR20	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR20	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR20	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR20	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR20	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR20	C(=O)(O)C(C)O	C50215
PADEL_KR20	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR20	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR20	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR20	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR20	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR20	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR20	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR20	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR20	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR20	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR20	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR20	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR20	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR20	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR20	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR20	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR20	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR20	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR20	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR20	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR20	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR20	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR20	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR20	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR20	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR20	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR20	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR20	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR20	OC(C)C(=O)OCCCC	C138227
PADEL_KR20	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR20	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR20	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR20	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR20	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR20	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR20	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR20	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR20	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR20	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR20	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR20	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR20	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR20	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR20	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR20	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR20	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR20	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR20	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR20	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR20	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR20	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR20	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR20	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR20	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR20	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR20	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR20	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR20	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR20	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR20	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR20	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR20	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR20	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR20	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR20	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR20	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR20	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR20	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR20	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR20	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR20	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR20	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR20	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR20	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR20	OC(=O)C(Cl)Cl	C79436
PADEL_KR20	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR20	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR20	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR20	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR20	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR20	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR20	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR20	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR20	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR20	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR20	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR20	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR20	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR20	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR20	O=C(O)C(CCCC)CC	C149575
PADEL_KR20	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR20	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR20	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR20	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR20	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR20	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR20	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR20	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR20	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR20	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR20	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR20	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR20	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR20	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR20	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR20	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR20	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR20	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR20	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR20	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR20	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR20	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR20	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR20	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR20	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR20	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR20	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR20	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR20	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR20	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR20	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR20	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR20	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR20	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR20	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR20	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR20	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR20	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR20	ClC(=O)C(CC)CCCC	C760678
PADEL_KR20	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR20	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR20	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR20	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR20	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR20	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR20	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR20	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR20	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR20	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR20	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR20	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR20	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR21	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR21	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR21	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR23	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR23	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR23	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR23	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR25	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR25	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR25	C(=O)(O)C(C)O	C50215
PADEL_KR25	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR25	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR25	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR25	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR25	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR25	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR25	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR25	OC(=O)C(Cl)Cl	C79436
PADEL_KR25	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR25	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR25	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR25	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR25	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR25	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR25	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR25	O=C(O)C(CCCC)CC	C149575
PADEL_KR25	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR25	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR25	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR25	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR25	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR25	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR25	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR25	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR25	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR25	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR25	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR25	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR25	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR25	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR26	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR26	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR26	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR26	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR33	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR33	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR33	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR33	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR33	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR33	CCC(c1ccccc1)CCC	C4468422
PADEL_KR33	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR33	OC(CO)c1ccccc1	C93561
PADEL_KR33	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR33	C1C(c2ccccc2)O1	C96093
PADEL_KR33	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR33	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR33	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR33	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR33	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR33	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR33	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR33	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR33	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR33	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR33	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR33	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR33	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR33	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR34	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR34	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR34	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR34	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR34	Oc1c(C(C)C)cccc1	C88697
PADEL_KR34	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR34	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR34	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR34	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR34	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR34	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR34	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR36	Oc1c(C(C)C)cccc1	C88697
PADEL_KR36	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR37	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR37	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR37	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR38	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR40	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR42	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR42	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR45	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR45	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR45	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR45	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR45	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR45	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR45	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR45	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR45	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR45	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR45	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR45	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR45	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR45	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR45	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR45	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR45	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR45	CC(C)c1ccc(C)cc1	C99876
PADEL_KR45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR45	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR45	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR45	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR45	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR45	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR45	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR45	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR45	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR45	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR49	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR52	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR52	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR52	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR52	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR52	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR54	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR54	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR54	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR54	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR54	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR54	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR54	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR54	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR54	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR54	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR55	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR55	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR55	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR55	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR56	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR56	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR57	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR57	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR60	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR67	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR67	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR67	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR67	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR67	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR67	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR67	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR67	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR67	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR67	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR67	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR67	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR67	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR67	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR67	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR67	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR67	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR67	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR67	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR68	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR68	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR68	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR69	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR69	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR69	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR69	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR69	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR69	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR69	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR69	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR71	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR72	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR72	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR72	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR72	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR72	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR72	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR72	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR72	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR72	O(C(C)C)C(=O)C	C108214
PADEL_KR72	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR72	O=C1OCC(C)O1	C108327
PADEL_KR72	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR72	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR72	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR72	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR72	O=C1OC(CCCCC)CC1	C104610
PADEL_KR72	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR72	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR72	O=C1OCC(CC)O1	C4437858
PADEL_KR72	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR72	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR72	O=C1CCC(O1)CC	C695067
PADEL_KR72	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR72	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR72	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR72	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR72	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR72	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR72	O=C1OC(CCC)CC1	C105215
PADEL_KR72	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR72	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR72	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR72	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR72	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR72	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR72	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR72	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR72	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR72	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR72	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR72	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR72	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR72	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR72	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR72	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR72	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR72	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR72	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR72	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR72	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR72	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR72	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR72	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR72	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR72	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR72	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR72	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR72	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR72	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR72	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR72	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR72	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR72	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR72	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR72	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR72	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR72	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR72	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR72	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR72	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR72	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR72	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR72	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR72	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR72	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR72	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR72	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR72	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR72	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR72	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR73	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR73	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR73	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR73	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR74	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR76	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR76	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR76	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR90	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR90	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR91	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR91	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR91	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR91	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR91	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR91	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR91	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR91	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR91	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR91	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR91	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR91	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR91	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR91	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR91	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR91	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR91	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR91	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR92	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR92	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR92	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR92	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR92	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR92	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR92	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR92	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR92	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR92	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR92	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR92	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR92	O(C(C)C)C(=O)C	C108214
PADEL_KR92	N#CC(C)C	C78820
PADEL_KR92	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR92	O=COC(C)C	C625558
PADEL_KR92	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR92	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR92	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR92	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR92	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR92	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR92	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR92	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR92	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR92	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR92	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR92	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR92	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR92	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR92	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR92	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR92	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR92	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR92	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR92	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR92	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR92	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR92	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR92	OC(CC(C)C)(C)C#C	C107540
PADEL_KR92	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR92	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR92	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR92	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR92	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR92	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR92	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR92	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR92	Oc1c(C(C)C)cccc1	C88697
PADEL_KR92	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR92	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR92	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR92	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR92	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR92	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR92	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR92	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR92	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR92	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR92	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR92	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR92	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR92	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR92	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR92	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR92	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR92	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR92	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR92	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR92	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR92	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR92	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR92	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR92	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR92	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR92	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR92	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR92	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR92	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR92	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR92	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR92	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR92	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR92	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR92	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR92	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR92	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR92	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR92	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR92	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR92	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR92	C(CC(C)C)OC(=O)C	C123922
PADEL_KR92	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR92	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR92	CC(C)c1ccc(C)cc1	C99876
PADEL_KR92	OC(CC(C)C)C	C108112
PADEL_KR92	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR92	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR92	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR92	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR92	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR92	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR92	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR92	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR92	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR92	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR92	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR92	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR92	O=C(CCC)OCCC(C)C	C106274
PADEL_KR92	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR92	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR92	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR92	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR92	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR92	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR92	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR92	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR92	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR92	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR92	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR92	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR92	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR92	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR92	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR92	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR92	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR92	C(CO)C(C)C	C123513
PADEL_KR92	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR92	CC(=O)CCC(C)C	C110123
PADEL_KR92	CC(=O)CC(C)C	C108101
PADEL_KR92	CC(C)C=O	C78842
PADEL_KR92	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR92	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR92	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR92	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR92	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR92	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR92	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR92	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR92	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR92	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR92	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR92	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR92	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR92	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR92	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR92	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR92	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR92	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR92	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR93	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR93	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR98	C(=O)(O)C(C)O	C50215
PADEL_KR98	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR98	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR98	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR98	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR98	OC(C)C(=O)OCCCC	C138227
PADEL_KR98	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR98	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR98	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR98	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR98	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR98	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR98	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR98	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR98	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR98	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR98	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR98	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR98	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR98	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR98	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR98	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR98	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR98	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR98	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR98	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR98	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR98	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR98	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR98	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR98	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR98	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR98	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR99	C(=O)(O)C(C)O	C50215
PADEL_KR99	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR99	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR99	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR99	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR99	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR101	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR101	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR102	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR102	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR102	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR102	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR102	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR102	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR102	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR102	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR102	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR102	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR102	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR102	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR102	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR102	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR102	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR102	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR102	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR103	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR103	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR104	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR104	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR104	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR104	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR110	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR111	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR111	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR111	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR114	OC(C)CN	C78966
PADEL_KR115	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR115	OC(CO)CCl	C96242
PADEL_KR115	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR115	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR115	CC(CO)O	C25322694
PADEL_KR115	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR115	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR115	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR115	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR115	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR115	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR115	OC(CO)c1ccccc1	C93561
PADEL_KR115	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR115	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR115	OCC(O)CO	C56815
PADEL_KR115	CC(CO)O	C57556
PADEL_KR115	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR117	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR119	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR119	OC(CO)c1ccccc1	C93561
PADEL_KR123	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR124	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR126	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR126	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR126	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR126	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR126	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR126	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR126	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR126	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR126	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR126	CC/C=C\CCO	C928961
PADEL_KR126	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR126	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR126	Cl/C=C/Cl	C156605
PADEL_KR126	O=C/C=C/c1ccccc1	C14371109
PADEL_KR126	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR126	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR126	CC=C1CC2C=CC1C2	C16219753
PADEL_KR126	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR126	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR126	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR126	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR126	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR126	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR126	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR126	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR126	C1=CC=CC1	C542927
PADEL_KR126	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR126	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR126	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR126	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR126	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR126	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR126	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR126	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR126	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR126	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR126	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR126	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR126	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR126	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR126	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR126	O=C/C=C/CCC	C6728263
PADEL_KR126	O1C=CCCC1	C110872
PADEL_KR126	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR126	OCC=Cc1ccccc1	C104541
PADEL_KR126	O=CCC/C=C\CCCCC	C21662099
PADEL_KR126	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR126	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR126	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR126	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR126	c12ccccc1CC=C2	C95136
PADEL_KR126	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR126	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR126	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR126	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR126	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR126	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR126	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR126	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR126	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR126	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR126	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR126	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR126	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR126	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR126	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR126	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR126	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR126	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR126	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR126	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR126	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR126	OC(=O)C=CC=CC	C110441
PADEL_KR126	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR126	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR126	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR126	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR126	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR126	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR126	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR126	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR126	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR126	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR126	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR126	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR126	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR126	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR126	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR126	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR126	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR126	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR126	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR126	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR126	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR126	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR126	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR126	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR126	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR126	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR126	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR126	O=CC=CC=CCCCCC	C25152845
PADEL_KR126	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR126	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR126	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR126	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR126	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR126	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR126	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR126	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR126	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR126	O=C/C=C/CCCCCCC	C3913813
PADEL_KR126	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR126	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR133	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR133	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR133	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR133	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR133	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR133	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR133	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR133	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR133	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR133	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR133	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR133	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR133	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR133	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR133	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR133	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR133	OC(=O)C=CC=CC	C110441
PADEL_KR133	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR133	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR133	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR133	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR133	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR133	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR133	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR133	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR133	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR136	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR136	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR136	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR136	OC(=O)C=CC=CC	C110441
PADEL_KR136	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR136	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR136	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR136	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR138	C=CC#N	C107131
PADEL_KR138	C=CCO	C107186
PADEL_KR138	C=CCN=C=S	C57067
PADEL_KR138	C=CCc1ccc(cc1)OC	C140670
PADEL_KR138	C=Cc1ccc(cc1)C	C622979
PADEL_KR138	C=CC(Cl)CCl	C760236
PADEL_KR138	C=CC(=O)OCCO	C818611
PADEL_KR138	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR138	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR138	O=C(OCCCC)C=C	C141322
PADEL_KR138	C=Cc1ccccc1C=C	C1321740
PADEL_KR138	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR138	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR138	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR138	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR138	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR138	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR138	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR138	OC(CCCCC)C=C	C3391864
PADEL_KR138	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR138	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_KR138	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_KR138	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR138	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR138	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR138	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR138	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR138	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR138	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR138	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR138	NC(=O)C=C	C79061
PADEL_KR138	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR138	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR138	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR138	O=C1N(C=C)CCC1	C88120
PADEL_KR138	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR138	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR138	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR138	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR138	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR138	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR138	C=CCCCCCCCCCCCC	C1120361
PADEL_KR138	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR138	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR138	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR138	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR138	O=CCCCCCCCCC=C	C112458
PADEL_KR138	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR138	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR138	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR138	O=C(OCCCCO)C=C	C2478106
PADEL_KR138	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR138	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR138	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR138	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR138	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR138	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR144	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR144	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR144	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR144	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR161	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR161	ON=CCCC	C110690
PADEL_KR161	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR161	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR161	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR161	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR161	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR161	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR161	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR161	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR161	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR161	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR161	ON=CC(C)(C)SC	C1646759
PADEL_KR161	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR161	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR162	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR168	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR178	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR184	ON=CCCC	C110690
PADEL_KR184	ON=CC(C)(C)SC	C1646759
PADEL_KR188	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR188	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR188	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR189	O=CCCl	C107200
PADEL_KR189	O=CCc1ccccc1	C122781
PADEL_KR189	CCCCCCCCCC=O	C112312
PADEL_KR189	O=CCCCCCC	C111717
PADEL_KR189	CCCCCCCCC=O	C124196
PADEL_KR189	O=Cc1ccccc1O	C90028
PADEL_KR189	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR189	O=C/C=C/c1ccccc1	C14371109
PADEL_KR189	C(CC)(C=O)CCCC	C123057
PADEL_KR189	CCC(=CCCC)C=O	C645625
PADEL_KR189	O=CCCCC=O	C111308
PADEL_KR189	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR189	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR189	O=Cc1ccc(OC)cc1	C123115
PADEL_KR189	O=COC(C)C	C625558
PADEL_KR189	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR189	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR189	O=C/C=C/CCC	C6728263
PADEL_KR189	O=CCC/C=C\CCCCC	C21662099
PADEL_KR189	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR189	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR189	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR189	CN(C=O)C	C68122
PADEL_KR189	O=Cc1ccco1	C98011
PADEL_KR189	CCCCCCCC=O	C124130
PADEL_KR189	CCCCC=O	C110623
PADEL_KR189	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR189	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR189	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR189	O=Cc1ccccc1C=O	C643798
PADEL_KR189	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR189	C(=O)N	C75127
PADEL_KR189	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR189	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR189	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR189	O=COCC	C109944
PADEL_KR189	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR189	O=CCCSC	C3268493
PADEL_KR189	CC(C)C=O	C78842
PADEL_KR189	CCCCCC=O	C66251
PADEL_KR189	CCCC=O	C123728
PADEL_KR189	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR189	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR189	O=CC=CC=CCCCCC	C25152845
PADEL_KR189	O=CCCCCCCCCC=C	C112458
PADEL_KR189	O=CN1CCCCC1	C2591868
PADEL_KR189	O=C/C=C/CCCCCCC	C3913813
PADEL_KR189	CCCCCCCCCC(C)C=O	C110418
PADEL_KR189	O=COCc1ccc(OC)cc1	C122918
PADEL_KR190	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR190	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR190	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR190	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR190	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR198	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR198	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR198	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR199	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR199	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR199	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR201	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR201	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR203	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR203	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR207	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR207	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR207	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR208	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR208	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR208	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR208	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR208	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR208	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR208	OC1CCC(CCCC)CC1	C70568604
PADEL_KR208	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR208	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR208	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR208	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR208	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR209	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR211	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR211	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR212	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR212	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR212	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR214	C1CCCCC1O	C108930
PADEL_KR214	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR214	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR214	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR214	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR214	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR214	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR214	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR214	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR214	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR214	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR214	NC1CCCCC1	C108918
PADEL_KR214	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR214	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR214	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR214	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR214	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR214	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR214	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR214	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR214	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR214	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR216	OC1CCCC1	C96413
PADEL_KR216	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR216	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR216	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR216	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR216	SC1CCCC1	C1679078
PADEL_KR217	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR218	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR223	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR224	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR224	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR225	OCC1OCCC1	C97994
PADEL_KR226	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR228	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR228	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR228	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR228	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR228	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR228	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR228	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR232	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR232	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR232	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR232	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR232	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR232	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR232	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR232	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR232	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR232	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR232	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR232	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR232	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR232	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR232	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR232	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR232	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR232	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR232	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR232	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR261	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR261	C(OCCCC)C1CO1	C2426086
PADEL_KR261	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR261	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR261	OCC1CO1	C556525
PADEL_KR261	C1C(c2ccccc2)O1	C96093
PADEL_KR261	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR261	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR261	CCC1CO1	C106887
PADEL_KR261	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR261	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR261	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR279	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR279	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR279	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR279	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR280	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR287	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR287	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR287	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR287	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR287	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR287	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR287	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR287	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR287	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR287	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR289	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR290	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR290	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR290	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR290	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR290	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR291	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR297	C=CCO	C107186
PADEL_KR297	C=CCN=C=S	C57067
PADEL_KR297	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR297	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR297	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR297	CC(=O)OCc1ccccc1	C140114
PADEL_KR297	CC(CNCC(C)O)O	C110974
PADEL_KR297	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR297	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR297	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR297	O=CCCl	C107200
PADEL_KR297	ClCOC	C107302
PADEL_KR297	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR297	O=C1CCCCC1	C108941
PADEL_KR297	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR297	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR297	BrCCBr	C106934
PADEL_KR297	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR297	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR297	S=C(NCC)NCC	C105555
PADEL_KR297	CN(CCO)C	C108010
PADEL_KR297	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR297	C=CCc1ccc(cc1)OC	C140670
PADEL_KR297	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR297	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR297	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR297	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR297	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR297	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR297	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR297	OC(CO)CCl	C96242
PADEL_KR297	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR297	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR297	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR297	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR297	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR297	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR297	O=[N+](CC)[O-]	C79243
PADEL_KR297	O=NN1CCCC1	C930552
PADEL_KR297	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR297	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR297	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR297	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR297	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR297	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR297	ClCC(Cl)CCl	C96184
PADEL_KR297	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR297	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR297	O=CCc1ccccc1	C122781
PADEL_KR297	OCCOCCOCCOCCCC	C143226
PADEL_KR297	CCCCCCCCCC=O	C112312
PADEL_KR297	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR297	O=CCCCCCC	C111717
PADEL_KR297	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR297	CCCCCCCCC=O	C124196
PADEL_KR297	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR297	OC(=O)CCCC	C109524
PADEL_KR297	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR297	OCCC	C71238
PADEL_KR297	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR297	OC(C)CN	C78966
PADEL_KR297	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR297	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR297	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR297	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR297	ON=C1CCCCC1	C100641
PADEL_KR297	OCCN1CCNCC1	C103764
PADEL_KR297	Nc1ccc(CCCC)cc1	C104132
PADEL_KR297	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR297	CC(O)CC(C)(C)O	C107415
PADEL_KR297	CCCC(=O)C	C107879
PADEL_KR297	C1CCCCC1O	C108930
PADEL_KR297	N#CCC#N	C109773
PADEL_KR297	CCCCCC(=O)C	C110430
PADEL_KR297	C(O)C#CCO	C110656
PADEL_KR297	CCNCCO	C110736
PADEL_KR297	CCCCCCO	C111273
PADEL_KR297	CCCCCCCO	C111706
PADEL_KR297	CCCCCCCCCC(=O)C	C112129
PADEL_KR297	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR297	Oc1ccc(CC)cc1	C123079
PADEL_KR297	CCCCCC(=O)OCC	C123660
PADEL_KR297	CCCCCCCCCCCCN	C124221
PADEL_KR297	NCCN1CCNCC1	C140318
PADEL_KR297	CCCCCCCCCO	C143088
PADEL_KR297	Oc1ccc(CCC)cc1	C645567
PADEL_KR297	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR297	C=CC(Cl)CCl	C760236
PADEL_KR297	C=CC(=O)OCCO	C818611
PADEL_KR297	CC/C=C\CCO	C928961
PADEL_KR297	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR297	CCCCCCCCCCN	C2016571
PADEL_KR297	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR297	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR297	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR297	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR297	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR297	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR297	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR297	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR297	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR297	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR297	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR297	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR297	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR297	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR297	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR297	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR297	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR297	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR297	c1(c(CC)cccc1)O	C90006
PADEL_KR297	c1c(O)cccc1CC	C620177
PADEL_KR297	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR297	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR297	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR297	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR297	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR297	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR297	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR297	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR297	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR297	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR297	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR297	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR297	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR297	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR297	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR297	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR297	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR297	C(=O)(O)CCC(=O)O	C110156
PADEL_KR297	NC(CO)(CO)CO	C77861
PADEL_KR297	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR297	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR297	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR297	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR297	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR297	CC(O)COC	C107982
PADEL_KR297	[Na+].[O-]C(=O)CF	C62748
PADEL_KR297	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR297	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR297	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR297	ON=CCCC	C110690
PADEL_KR297	OCCCCO	C110634
PADEL_KR297	O=C(OCCCC)C=C	C141322
PADEL_KR297	C(OCCCC)C1CO1	C2426086
PADEL_KR297	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR297	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR297	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR297	C(CCN)CCCN	C124094
PADEL_KR297	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR297	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR297	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR297	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR297	N(CCN)CCN	C111400
PADEL_KR297	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR297	N(CCCN)(C)C	C109557
PADEL_KR297	OCNC(=O)NCO	C140954
PADEL_KR297	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR297	C(CCCCCC)CCCCCS	C112550
PADEL_KR297	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR297	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR297	C(CC)(C=O)CCCC	C123057
PADEL_KR297	OCC(C(O)CCC)CC	C94962
PADEL_KR297	CCC(=CCCC)C=O	C645625
PADEL_KR297	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR297	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR297	CC=C1CC2C=CC1C2	C16219753
PADEL_KR297	c1c(CO)occ1	C98000
PADEL_KR297	O=CCCCC=O	C111308
PADEL_KR297	C(=O)(O)CO	C79141
PADEL_KR297	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR297	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR297	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR297	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR297	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR297	N#CC(CCC#N)C	C4553622
PADEL_KR297	C1COCCN1	C110918
PADEL_KR297	C(CCCCCCC)C	C111842
PADEL_KR297	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR297	O(c1ccc(N)cc1)CC	C156434
PADEL_KR297	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR297	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR297	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR297	c12ccccc1CCCC2	C119642
PADEL_KR297	O=C(O)CS	C68111
PADEL_KR297	O=P(OCC)(OCC)OCC	C78400
PADEL_KR297	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR297	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR297	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR297	OCCc1ccccc1	C60128
PADEL_KR297	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR297	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR297	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR297	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR297	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR297	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR297	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR297	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR297	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR297	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR297	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR297	O=C1OCC(C)O1	C108327
PADEL_KR297	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR297	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR297	O=C(OC)CCCCCCCCC	C110429
PADEL_KR297	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR297	N1CCCCCC1	C111499
PADEL_KR297	O=C(C)OCCOC(=O)C	C111557
PADEL_KR297	O=C(C)OCCOCCCC	C112072
PADEL_KR297	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR297	OCCOCCOCCOC	C112356
PADEL_KR297	OCCOCCOCCOCCO	C112607
PADEL_KR297	OCC(CO)(CO)CO	C115775
PADEL_KR297	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR297	OC(CCCCCC)C	C123966
PADEL_KR297	OCC(N)(C)C	C124685
PADEL_KR297	OCC(C)(C)CO	C126307
PADEL_KR297	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR297	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR297	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR297	C1=CC=CC1	C542927
PADEL_KR297	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR297	O=C1NCCC1	C616455
PADEL_KR297	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR297	OC(C)COc1ccccc1	C770354
PADEL_KR297	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR297	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR297	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR297	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR297	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR297	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR297	OC1CCCCCCCCCCC1	C1724396
PADEL_KR297	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR297	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR297	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR297	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR297	OCCOCCC	C2807309
PADEL_KR297	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR297	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR297	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR297	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR297	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR297	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR297	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR297	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR297	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR297	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR297	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR297	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR297	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR297	Nc1c(C)cccc1CC	C24549062
PADEL_KR297	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR297	CC(CO)O	C25322694
PADEL_KR297	SC(C)(C)CCCCCC	C25360105
PADEL_KR297	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR297	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR297	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR297	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR297	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR297	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR297	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR297	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR297	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR297	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR297	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR297	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR297	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR297	OCC1OCCC1	C97994
PADEL_KR297	CN1CCOCC1	C109024
PADEL_KR297	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR297	O=C1CCCC1	C120923
PADEL_KR297	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR297	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR297	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR297	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR297	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR297	OC(C)COCCC	C1569013
PADEL_KR297	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR297	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR297	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR297	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR297	OCC(CCC)CCCCC	C10042598
PADEL_KR297	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR297	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR297	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR297	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR297	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR297	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR297	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR297	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR297	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR297	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR297	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR297	OC(OCCCC)CC	C29387868
PADEL_KR297	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR297	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR297	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR297	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR297	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR297	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR297	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR297	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR297	OCn1nc(C)cc1C	C85264331
PADEL_KR297	OCCSCCCCCCCC	C3547339
PADEL_KR297	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR297	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR297	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR297	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR297	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR297	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR297	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR297	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR297	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR297	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR297	OC1CCCC1	C96413
PADEL_KR297	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR297	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR297	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR297	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR297	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR297	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR297	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR297	O=C1OC(CCCCC)CC1	C104610
PADEL_KR297	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR297	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR297	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR297	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR297	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR297	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR297	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR297	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR297	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR297	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR297	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR297	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR297	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR297	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR297	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR297	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR297	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR297	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR297	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR297	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR297	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR297	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR297	OC(CCCCC)C=C	C3391864
PADEL_KR297	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR297	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR297	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR297	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR297	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR297	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR297	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR297	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR297	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR297	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR297	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR297	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR297	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR297	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR297	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR297	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR297	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR297	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR297	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR297	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR297	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR297	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR297	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR297	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR297	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR297	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR297	O=C(CC)OCC	C105373
PADEL_KR297	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR297	O=C1OCC(CC)O1	C4437858
PADEL_KR297	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR297	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR297	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR297	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR297	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR297	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR297	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR297	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR297	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR297	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR297	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR297	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR297	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR297	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR297	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR297	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR297	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR297	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR297	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR297	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR297	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR297	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR297	CC(O)COCC	C1569024
PADEL_KR297	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR297	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR297	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR297	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR297	Oc1ccccc1CN(C)C	C120650
PADEL_KR297	O=C1CCC(O1)CC	C695067
PADEL_KR297	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR297	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR297	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR297	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR297	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR297	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR297	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR297	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR297	O=C/C=C/CCC	C6728263
PADEL_KR297	O1C=CCCC1	C110872
PADEL_KR297	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR297	OC(CC(C)C)(C)C#C	C107540
PADEL_KR297	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR297	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR297	OCC=Cc1ccccc1	C104541
PADEL_KR297	CCC(c1ccccc1)CCC	C4468422
PADEL_KR297	O=CCC/C=C\CCCCC	C21662099
PADEL_KR297	O=c1ccoc(CC)c1O	C4940118
PADEL_KR297	NCCCN1CCOCC1	C123002
PADEL_KR297	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR297	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR297	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR297	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR297	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR297	O=C(CCC)OCCCCC	C540181
PADEL_KR297	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR297	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR297	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR297	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR297	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR297	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR297	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR297	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR297	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR297	OP(OCC)OCC	C762049
PADEL_KR297	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR297	c1(Cc2ccccc2)ccccc1	C101815
PADEL_KR297	OCCOCC(CC)CCCC	C1559359
PADEL_KR297	O=C(CC)CCCCC	C106683
PADEL_KR297	OCCN(CC)CCO	C139877
PADEL_KR297	CCOC(OCC)OCC	C122510
PADEL_KR297	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR297	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR297	O=C(CF)O	C144490
PADEL_KR297	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR297	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR297	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR297	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR297	c12ccccc1CC=C2	C95136
PADEL_KR297	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR297	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR297	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR297	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR297	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR297	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR297	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR297	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR297	OC(C)C(=O)OCCCC	C138227
PADEL_KR297	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR297	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR297	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR297	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR297	Oc1c(OCC)cccc1	C94713
PADEL_KR297	COc1ccc(CCC)cc1	C104450
PADEL_KR297	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR297	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR297	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR297	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR297	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR297	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR297	OC(CO)c1ccccc1	C93561
PADEL_KR297	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR297	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR297	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR297	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR297	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR297	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR297	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR297	O=C(C)OCCCCCCCC	C112141
PADEL_KR297	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR297	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR297	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR297	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR297	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR297	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR297	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR297	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR297	NCCN.I.I	C5700492
PADEL_KR297	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR297	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR297	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR297	OCC(CCCC)CCCCCC	C3913028
PADEL_KR297	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR297	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR297	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR297	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR297	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR297	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR297	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR297	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR297	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR297	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR297	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR297	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR297	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR297	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR297	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR297	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR297	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR297	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR297	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR297	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR297	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR297	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR297	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR297	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR297	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR297	OCCOCC(C)OCCO	C9003116
PADEL_KR297	O=C1OC(CCC)CC1	C105215
PADEL_KR297	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR297	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR297	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR297	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR297	Nc1ccc(CCC)cc1	C2696846
PADEL_KR297	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR297	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR297	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR297	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR297	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR297	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR297	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR297	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR297	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR297	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR297	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR297	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR297	O=C1CCC(CCC)CC1	C40649363
PADEL_KR297	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR297	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR297	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR297	OC1CCC(CCCC)CC1	C70568604
PADEL_KR297	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR297	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR297	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR297	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR297	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR297	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR297	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR297	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR297	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR297	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR297	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR297	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR297	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR297	S=C1NCCN1	C96457
PADEL_KR297	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR297	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR297	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR297	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR297	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR297	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR297	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR297	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR297	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR297	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR297	c1ccccc1OCCO	C122996
PADEL_KR297	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR297	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR297	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR297	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR297	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR297	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR297	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR297	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR297	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR297	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR297	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR297	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR297	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR297	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR297	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR297	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR297	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR297	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR297	ClCCP(=O)(O)O	C16672870
PADEL_KR297	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR297	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR297	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR297	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR297	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR297	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR297	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR297	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR297	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR297	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR297	OCCOC	C109864
PADEL_KR297	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR297	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR297	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR297	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR297	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR297	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR297	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR297	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR297	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR297	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR297	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR297	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR297	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR297	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR297	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR297	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR297	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR297	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR297	CN1CN(C)CSC1=S	C533744
PADEL_KR297	C(SC#N)SC#N	C6317186
PADEL_KR297	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR297	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR297	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR297	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR297	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR297	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR297	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR297	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR297	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR297	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR297	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR297	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR297	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR297	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR297	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR297	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR297	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR297	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR297	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR297	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR297	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR297	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR297	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR297	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR297	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR297	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR297	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR297	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR297	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR297	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR297	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR297	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR297	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR297	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR297	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR297	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR297	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR297	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR297	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR297	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR297	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR297	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR297	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR297	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR297	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR297	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR297	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR297	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR297	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR297	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR297	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR297	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR297	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR297	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR297	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR297	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR297	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR297	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR297	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR297	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR297	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR297	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR297	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR297	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR297	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR297	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR297	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR297	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR297	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR297	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR297	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR297	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR297	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR297	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR297	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR297	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR297	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR297	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR297	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR297	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR297	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR297	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR297	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR297	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR297	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR297	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR297	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR297	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR297	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR297	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR297	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR297	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR297	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR297	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR297	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR297	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR297	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR297	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR297	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR297	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR297	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR297	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR297	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR297	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR297	OCc1ccccc1	C100516
PADEL_KR297	OCC(CO)(CBr)CBr	C3296900
PADEL_KR297	ClCCOCCCl	C111444
PADEL_KR297	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR297	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR297	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR297	O=C1CCCO1	C96480
PADEL_KR297	O=C1CCCCCN1	C105602
PADEL_KR297	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR297	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR297	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR297	O=C(c1ccccc1)CCl	C532274
PADEL_KR297	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR297	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR297	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR297	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR297	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR297	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR297	OCCOCCO	C111466
PADEL_KR297	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR297	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR297	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR297	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR297	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR297	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR297	C(CO)O	C107211
PADEL_KR297	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR297	CCC(CCCC)CO	C104767
PADEL_KR297	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR297	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR297	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR297	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR297	OCC(O)CO	C56815
PADEL_KR297	OCC1CO1	C556525
PADEL_KR297	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR297	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR297	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR297	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR297	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR297	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR297	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR297	O=C1N(CCC1)C	C872504
PADEL_KR297	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR297	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR297	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR297	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR297	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR297	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR297	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR297	O=NN(CCCC)CCCC	C924163
PADEL_KR297	CCN(CC)N=O	C55185
PADEL_KR297	O=NN(CCC)CCC	C621647
PADEL_KR297	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR297	C1CNCCN1	C110850
PADEL_KR297	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR297	O=S1(=O)CCCO1	C1120714
PADEL_KR297	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR297	CC(CO)O	C57556
PADEL_KR297	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR297	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR297	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR297	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR297	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR297	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR297	C1C(c2ccccc2)O1	C96093
PADEL_KR297	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR297	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR297	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR297	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR297	OCCN(CCO)CCO	C102716
PADEL_KR297	OCCOCCOCCO	C112276
PADEL_KR297	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR297	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR297	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR297	NC(=O)OCC	C51796
PADEL_KR297	O=C1N(C=C)CCC1	C88120
PADEL_KR297	OC(=O)CCC	C107926
PADEL_KR297	CCCCOCCOCCO	C112345
PADEL_KR297	CCCCCCCCCC(=O)O	C334485
PADEL_KR297	O=C(O)CCCCCC	C111148
PADEL_KR297	OC(=O)CCCCC(=O)O	C124049
PADEL_KR297	CCCCCC(=O)O	C142621
PADEL_KR297	CCCCCCCCC(=O)O	C112050
PADEL_KR297	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR297	CCCCCCCC=O	C124130
PADEL_KR297	CCCCCCCC(=O)O	C124072
PADEL_KR297	CCCCC=O	C110623
PADEL_KR297	CCCCCCCCCCC	C1120214
PADEL_KR297	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR297	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR297	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR297	CCN(CC)c1ccccc1	C91667
PADEL_KR297	CCC(=NO)C	C96297
PADEL_KR297	CCN(CCO)CC	C100378
PADEL_KR297	CCNc1cc(C)ccc1	C102272
PADEL_KR297	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR297	ClCCO	C107073
PADEL_KR297	CC(=O)OCCOCC	C111159
PADEL_KR297	OCCNCCO	C111422
PADEL_KR297	N#CCCCCC#N	C111693
PADEL_KR297	CCCCCCCCO	C111875
PADEL_KR297	CCOCCOCCO	C111900
PADEL_KR297	CCCCCCCCCCO	C112301
PADEL_KR297	CCCCCCCCCCCCCO	C112709
PADEL_KR297	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR297	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR297	OCCN	C141435
PADEL_KR297	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR297	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR297	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR297	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR297	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR297	c1(CCCC)ccccc1	C104518
PADEL_KR297	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR297	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR297	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR297	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR297	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR297	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR297	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR297	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR297	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR297	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR297	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR297	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR297	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR297	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR297	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR297	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR297	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR297	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR297	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR297	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR297	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR297	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR297	NC1CCCCC1	C108918
PADEL_KR297	O=S(=O)(OCC)OCC	C64675
PADEL_KR297	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR297	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR297	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR297	CCOCCO	C110805
PADEL_KR297	CCCCOCCO	C111762
PADEL_KR297	c1cccc2Cc3ccccc3c12	C86737
PADEL_KR297	O=C=NCCCCCCN=C=O	C822060
PADEL_KR297	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR297	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR297	OCCOCCOCCOCC	C112505
PADEL_KR297	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR297	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR297	O(CCOC)CCOC	C111966
PADEL_KR297	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR297	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR297	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR297	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR297	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR297	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR297	C(CCCCCCCC)C	C124185
PADEL_KR297	OC(CCl)CCl	C96231
PADEL_KR297	O(CCOC)CCO	C111773
PADEL_KR297	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR297	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR297	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR297	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR297	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR297	N(c1ccccc1)CC	C103695
PADEL_KR297	O=C(O)C(CCCC)CC	C149575
PADEL_KR297	C(CC(C)C)OC(=O)C	C123922
PADEL_KR297	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR297	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR297	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR297	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR297	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR297	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR297	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR297	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR297	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR297	C(OCCOC)COCCOC	C112492
PADEL_KR297	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR297	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR297	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR297	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR297	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR297	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR297	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR297	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR297	OCCC(C)CCC=C(C)C	C106229
PADEL_KR297	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR297	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR297	OCCC(O)C	C107880
PADEL_KR297	OC(CC(C)C)C	C108112
PADEL_KR297	O=C(OC)CCCCCCC	C111115
PADEL_KR297	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR297	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR297	OCCOCCCCCC	C112254
PADEL_KR297	OCCCCCCCCCCC	C112425
PADEL_KR297	OCCCCCCCCCCCC	C112538
PADEL_KR297	OCCCCCCCCCCCCCC	C112721
PADEL_KR297	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR297	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR297	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR297	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR297	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR297	CCCCCCCCCCCCCCCC	C544763
PADEL_KR297	Nc1c(CC)cccc1CC	C579668
PADEL_KR297	O=C(C)OCCCCC	C628637
PADEL_KR297	CCCCCCCCCCCCCCC	C629629
PADEL_KR297	OCCCCCCCCCCCCCCC	C629765
PADEL_KR297	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR297	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR297	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR297	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR297	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR297	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR297	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR297	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR297	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR297	OC(OC(O)CC)CC	C25265718
PADEL_KR297	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR297	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR297	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR297	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR297	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR297	OC(OCCCOC)CC	C34590948
PADEL_KR297	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR297	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR297	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR297	O=C(OC)CC(=O)OC	C108598
PADEL_KR297	CCC12N(COC1)COC2	C7747355
PADEL_KR297	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR297	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR297	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR297	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR297	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR297	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR297	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR297	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR297	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR297	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR297	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR297	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR297	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR297	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR297	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR297	CCCCCCCCN(C)C	C7378996
PADEL_KR297	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR297	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR297	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR297	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR297	O=C(CCC)OCC	C105544
PADEL_KR297	O=C(OCC)CCCCCC	C106309
PADEL_KR297	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR297	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR297	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR297	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR297	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR297	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR297	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR297	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR297	O=C(CCC)OCCC(C)C	C106274
PADEL_KR297	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR297	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR297	CCCc1ccccc1	C103651
PADEL_KR297	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR297	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR297	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR297	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR297	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR297	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR297	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR297	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR297	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR297	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR297	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR297	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR297	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR297	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR297	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR297	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR297	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR297	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR297	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR297	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR297	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR297	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR297	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR297	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR297	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR297	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR297	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR297	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR297	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR297	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR297	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR297	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR297	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR297	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR297	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR297	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR297	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR297	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR297	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR297	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR297	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR297	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR297	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR297	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR297	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR297	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR297	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR297	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR297	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR297	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR297	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR297	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR297	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR297	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR297	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR297	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR297	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR297	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR297	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR297	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR297	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR297	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR297	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR297	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR297	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR297	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR297	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR297	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR297	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR297	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR297	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR297	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR297	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR297	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR297	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR297	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR297	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR297	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR297	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR297	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR297	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR297	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR297	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR297	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR297	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR297	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR297	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR297	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR297	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR297	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR297	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR297	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR297	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR297	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR297	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR297	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR297	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR297	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR297	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR297	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR297	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR297	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR297	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR297	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR297	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR297	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR297	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR297	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR297	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR297	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR297	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR297	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR297	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR297	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR297	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR297	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR297	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR297	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR297	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR297	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR297	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR297	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR297	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR297	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR297	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR297	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR297	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR297	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR297	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR297	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR297	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR297	C=CCCCCCCCCCCCC	C1120361
PADEL_KR297	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR297	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR297	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR297	OCCCBr	C627189
PADEL_KR297	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR297	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR297	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR297	C(CO)C(C)C	C123513
PADEL_KR297	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR297	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR297	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR297	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR297	NCCOCCOCCN	C929599
PADEL_KR297	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR297	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR297	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR297	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR297	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR297	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR297	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR297	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR297	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR297	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR297	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR297	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR297	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR297	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR297	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR297	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR297	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR297	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR297	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR297	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR297	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR297	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR297	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR297	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR297	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR297	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR297	OCCC(OC)C	C2517433
PADEL_KR297	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR297	S=C(NCCCC)NCCCC	C109466
PADEL_KR297	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR297	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR297	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR297	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR297	O=COCC	C109944
PADEL_KR297	O=C(OCC)c1ccccc1	C93890
PADEL_KR297	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR297	NCc1cccc(CN)c1	C1477550
PADEL_KR297	O=CCCSC	C3268493
PADEL_KR297	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR297	N(CCN(C)C)(C)C	C110189
PADEL_KR297	CCN(CC)CC	C121448
PADEL_KR297	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR297	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR297	CC(=O)OCC	C141786
PADEL_KR297	CC(=O)OCCCC	C123864
PADEL_KR297	CC(=O)CCC(C)C	C110123
PADEL_KR297	CC(=O)CC(C)C	C108101
PADEL_KR297	NCCN	C107153
PADEL_KR297	CCCCCC=O	C66251
PADEL_KR297	CCCC=O	C123728
PADEL_KR297	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR297	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR297	CCC1CO1	C106887
PADEL_KR297	CC1CC(=O)O1	C3068880
PADEL_KR297	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR297	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR297	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR297	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR297	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR297	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR297	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR297	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR297	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR297	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR297	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR297	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR297	O=C(CCl)CCl	C534076
PADEL_KR297	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR297	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR297	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR297	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR297	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR297	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR297	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR297	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR297	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR297	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR297	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR297	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR297	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR297	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR297	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR297	O=CC=CC=CCCCCC	C25152845
PADEL_KR297	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR297	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR297	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR297	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR297	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR297	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR297	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR297	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR297	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR297	OCC=C(C)C	C556821
PADEL_KR297	ClC(=O)C(CC)CCCC	C760678
PADEL_KR297	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR297	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR297	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR297	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR297	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR297	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR297	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR297	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR297	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR297	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR297	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR297	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR297	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR297	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR297	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR297	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR297	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR297	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR297	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR297	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR297	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR297	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR297	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR297	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR297	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR297	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR297	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR297	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR297	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR297	O=CCCCCCCCCC=C	C112458
PADEL_KR297	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR297	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR297	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR297	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR297	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR297	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR297	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR297	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR297	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR297	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR297	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR297	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR297	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR297	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR297	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR297	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR297	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR297	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR297	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR297	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR297	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR297	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR297	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR297	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR297	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR297	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR297	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR297	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR297	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR297	N#CSCCCCCCCCCCCC	C765151
PADEL_KR297	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR297	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR297	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR297	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR297	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR297	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR297	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR297	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR297	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR297	O=CN1CCCCC1	C2591868
PADEL_KR297	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR297	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR297	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR297	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR297	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR297	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR297	BrCCCCCCCCCCCC	C143157
PADEL_KR297	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR297	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR297	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR297	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR297	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR297	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR297	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR297	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR297	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR297	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR297	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR297	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR297	O=C(OCCCCO)C=C	C2478106
PADEL_KR297	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR297	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR297	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR297	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR297	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR297	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR297	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR297	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR297	NCCCOCCCCCCCC	C15930662
PADEL_KR297	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR297	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR297	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR297	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR297	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR297	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR297	CC1COc2ccccc2N1	C32329207
PADEL_KR297	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR297	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR297	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR297	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR297	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR297	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR297	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR297	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR297	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR297	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR297	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR297	O=C/C=C/CCCCCCC	C3913813
PADEL_KR297	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR297	SC1CCCC1	C1679078
PADEL_KR297	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR297	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR297	S=C=NCCCSC	C505793
PADEL_KR297	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR297	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR297	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR297	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR297	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR297	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR297	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR297	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR297	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR297	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR297	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR297	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR297	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR297	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR297	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR297	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR297	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR297	CCCCCCCCCC(C)C=O	C110418
PADEL_KR297	O=COCc1ccc(OC)cc1	C122918
PADEL_KR297	CCCCCc1ccco1	C3777693
PADEL_KR297	CCC(=O)C(=O)CC	C4437518
PADEL_KR297	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR297	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR298	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR298	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR298	CC(CNCC(C)O)O	C110974
PADEL_KR298	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR298	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR298	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR298	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR298	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR298	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR298	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR298	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR298	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR298	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR298	OC(CO)CCl	C96242
PADEL_KR298	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR298	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR298	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR298	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR298	ClCC(Cl)CCl	C96184
PADEL_KR298	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR298	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR298	OC(C)CN	C78966
PADEL_KR298	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR298	CC(O)CC(C)(C)O	C107415
PADEL_KR298	C1CCCCC1O	C108930
PADEL_KR298	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR298	C=CC(Cl)CCl	C760236
PADEL_KR298	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR298	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR298	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR298	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR298	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR298	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR298	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR298	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR298	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR298	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR298	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR298	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR298	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR298	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR298	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR298	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR298	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR298	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR298	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR298	CC(O)COC	C107982
PADEL_KR298	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR298	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR298	C(OCCCC)C1CO1	C2426086
PADEL_KR298	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR298	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR298	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR298	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR298	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR298	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR298	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR298	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR298	C(CC)(C=O)CCCC	C123057
PADEL_KR298	OCC(C(O)CCC)CC	C94962
PADEL_KR298	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR298	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR298	CC=C1CC2C=CC1C2	C16219753
PADEL_KR298	N#CC(CCC#N)C	C4553622
PADEL_KR298	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR298	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR298	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR298	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR298	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR298	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR298	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR298	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR298	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR298	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR298	O=C1OCC(C)O1	C108327
PADEL_KR298	OC(CCCCCC)C	C123966
PADEL_KR298	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR298	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR298	OC(C)COc1ccccc1	C770354
PADEL_KR298	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR298	OC1CCCCCCCCCCC1	C1724396
PADEL_KR298	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR298	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR298	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR298	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR298	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR298	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR298	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR298	CC(CO)O	C25322694
PADEL_KR298	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR298	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR298	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR298	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR298	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR298	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR298	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR298	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR298	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR298	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR298	OCC1OCCC1	C97994
PADEL_KR298	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR298	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR298	OC(C)COCCC	C1569013
PADEL_KR298	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR298	OCC(CCC)CCCCC	C10042598
PADEL_KR298	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR298	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR298	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR298	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR298	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR298	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR298	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR298	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR298	OC(OCCCC)CC	C29387868
PADEL_KR298	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR298	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR298	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR298	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR298	OC1CCCC1	C96413
PADEL_KR298	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR298	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR298	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR298	O=C1OC(CCCCC)CC1	C104610
PADEL_KR298	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR298	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR298	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR298	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR298	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR298	OC(CCCCC)C=C	C3391864
PADEL_KR298	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR298	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR298	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR298	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR298	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR298	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR298	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR298	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR298	O=C1OCC(CC)O1	C4437858
PADEL_KR298	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR298	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR298	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR298	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR298	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR298	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR298	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR298	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR298	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR298	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR298	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR298	CC(O)COCC	C1569024
PADEL_KR298	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR298	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR298	O=C1CCC(O1)CC	C695067
PADEL_KR298	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR298	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR298	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR298	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR298	OC(CC(C)C)(C)C#C	C107540
PADEL_KR298	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR298	CCC(c1ccccc1)CCC	C4468422
PADEL_KR298	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR298	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR298	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR298	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR298	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR298	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR298	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR298	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR298	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR298	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR298	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR298	OCCOCC(CC)CCCC	C1559359
PADEL_KR298	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR298	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR298	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR298	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR298	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR298	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR298	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR298	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR298	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR298	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR298	OC(CO)c1ccccc1	C93561
PADEL_KR298	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR298	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR298	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR298	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR298	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR298	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR298	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR298	OCC(CCCC)CCCCCC	C3913028
PADEL_KR298	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR298	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR298	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR298	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR298	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR298	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR298	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR298	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR298	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR298	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR298	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR298	OCCOCC(C)OCCO	C9003116
PADEL_KR298	O=C1OC(CCC)CC1	C105215
PADEL_KR298	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR298	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR298	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR298	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR298	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR298	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR298	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR298	O=C1CCC(CCC)CC1	C40649363
PADEL_KR298	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR298	OC1CCC(CCCC)CC1	C70568604
PADEL_KR298	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR298	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR298	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR298	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR298	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR298	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR298	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR298	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR298	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR298	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR298	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR298	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR298	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR298	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR298	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR298	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR298	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR298	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR298	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR298	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR298	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR298	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR298	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR298	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR298	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR298	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR298	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR298	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR298	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR298	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR298	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR298	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR298	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR298	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR298	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR298	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR298	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR298	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR298	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR298	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR298	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR298	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR298	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR298	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR298	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR298	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR298	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR298	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR298	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR298	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR298	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR298	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR298	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR298	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR298	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR298	CCC(CCCC)CO	C104767
PADEL_KR298	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR298	OCC(O)CO	C56815
PADEL_KR298	OCC1CO1	C556525
PADEL_KR298	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR298	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR298	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR298	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR298	CC(CO)O	C57556
PADEL_KR298	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR298	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR298	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR298	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR298	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR298	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR298	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR298	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR298	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR298	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR298	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR298	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR298	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR298	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR298	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR298	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR298	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR298	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR298	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR298	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR298	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR298	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR298	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR298	NC1CCCCC1	C108918
PADEL_KR298	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR298	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR298	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR298	OC(CCl)CCl	C96231
PADEL_KR298	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR298	O=C(O)C(CCCC)CC	C149575
PADEL_KR298	C(CC(C)C)OC(=O)C	C123922
PADEL_KR298	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR298	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR298	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR298	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR298	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR298	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR298	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR298	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR298	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR298	OCCC(C)CCC=C(C)C	C106229
PADEL_KR298	OCCC(O)C	C107880
PADEL_KR298	OC(CC(C)C)C	C108112
PADEL_KR298	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR298	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR298	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR298	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR298	OC(OC(O)CC)CC	C25265718
PADEL_KR298	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR298	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR298	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR298	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR298	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR298	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR298	OC(OCCCOC)CC	C34590948
PADEL_KR298	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR298	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR298	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR298	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR298	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR298	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR298	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR298	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR298	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR298	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR298	O=C(CCC)OCCC(C)C	C106274
PADEL_KR298	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR298	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR298	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR298	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR298	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR298	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR298	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR298	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR298	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR298	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR298	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR298	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR298	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR298	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR298	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR298	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR298	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR298	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR298	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR298	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR298	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR298	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR298	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR298	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR298	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR298	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR298	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR298	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR298	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR298	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR298	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR298	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR298	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR298	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR298	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR298	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR298	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR298	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR298	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR298	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR298	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR298	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR298	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR298	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR298	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR298	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR298	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR298	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR298	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR298	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR298	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR298	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR298	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR298	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR298	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR298	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR298	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR298	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR298	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR298	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR298	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR298	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR298	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR298	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR298	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR298	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR298	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR298	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR298	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR298	C(CO)C(C)C	C123513
PADEL_KR298	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR298	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR298	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR298	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR298	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR298	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR298	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR298	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR298	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR298	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR298	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR298	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR298	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR298	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR298	OCCC(OC)C	C2517433
PADEL_KR298	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR298	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR298	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR298	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR298	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR298	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR298	CC(=O)CCC(C)C	C110123
PADEL_KR298	CC(=O)CC(C)C	C108101
PADEL_KR298	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR298	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR298	CCC1CO1	C106887
PADEL_KR298	CC1CC(=O)O1	C3068880
PADEL_KR298	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR298	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR298	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR298	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR298	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR298	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR298	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR298	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR298	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR298	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR298	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR298	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR298	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR298	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR298	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR298	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR298	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR298	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR298	ClC(=O)C(CC)CCCC	C760678
PADEL_KR298	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR298	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR298	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR298	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR298	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR298	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR298	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR298	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR298	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR298	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR298	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR298	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR298	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR298	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR298	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR298	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR298	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR298	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR298	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR298	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR298	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR298	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR298	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR298	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR298	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR298	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR298	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR298	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR298	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR298	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR298	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR298	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR298	CC1COc2ccccc2N1	C32329207
PADEL_KR298	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR298	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR298	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR298	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR298	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR298	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR298	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR298	SC1CCCC1	C1679078
PADEL_KR298	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR298	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR298	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR298	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR298	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR298	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR298	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR298	CCCCCCCCCC(C)C=O	C110418
PADEL_KR298	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR299	CC(CNCC(C)O)O	C110974
PADEL_KR299	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR299	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR299	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR299	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR299	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR299	OC(C)CN	C78966
PADEL_KR299	CC(O)CC(C)(C)O	C107415
PADEL_KR299	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR299	CC(O)COC	C107982
PADEL_KR299	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR299	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR299	N#CC(CCC#N)C	C4553622
PADEL_KR299	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR299	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR299	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR299	O=C1OCC(C)O1	C108327
PADEL_KR299	OC(CCCCCC)C	C123966
PADEL_KR299	OC(C)COc1ccccc1	C770354
PADEL_KR299	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR299	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR299	CC(CO)O	C25322694
PADEL_KR299	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR299	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR299	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR299	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR299	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR299	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR299	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR299	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR299	OC(C)COCCC	C1569013
PADEL_KR299	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR299	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR299	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR299	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR299	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR299	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR299	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR299	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR299	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR299	CC(O)COCC	C1569024
PADEL_KR299	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR299	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR299	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR299	OC(CC(C)C)(C)C#C	C107540
PADEL_KR299	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR299	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR299	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR299	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR299	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR299	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR299	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR299	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR299	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR299	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR299	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR299	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR299	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR299	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR299	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR299	OCCOCC(C)OCCO	C9003116
PADEL_KR299	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR299	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR299	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR299	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR299	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR299	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR299	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR299	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR299	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR299	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR299	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR299	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR299	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR299	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR299	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR299	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR299	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR299	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR299	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR299	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR299	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR299	CC(CO)O	C57556
PADEL_KR299	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR299	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR299	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR299	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR299	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR299	C(CC(C)C)OC(=O)C	C123922
PADEL_KR299	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR299	OCCC(C)CCC=C(C)C	C106229
PADEL_KR299	OCCC(O)C	C107880
PADEL_KR299	OC(CC(C)C)C	C108112
PADEL_KR299	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR299	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR299	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR299	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR299	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR299	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR299	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR299	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR299	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR299	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR299	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR299	O=C(CCC)OCCC(C)C	C106274
PADEL_KR299	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR299	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR299	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR299	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR299	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR299	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR299	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR299	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR299	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR299	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR299	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR299	C(CO)C(C)C	C123513
PADEL_KR299	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR299	OCCC(OC)C	C2517433
PADEL_KR299	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR299	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR299	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR299	CC(=O)CCC(C)C	C110123
PADEL_KR299	CC(=O)CC(C)C	C108101
PADEL_KR299	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR299	CC1CC(=O)O1	C3068880
PADEL_KR299	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR299	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR299	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR299	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR299	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR299	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR299	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR299	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR299	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR299	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR299	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR299	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR299	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR299	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR299	CC1COc2ccccc2N1	C32329207
PADEL_KR299	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR299	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR299	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR299	CCCCCCCCCC(C)C=O	C110418
PADEL_KR300	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR300	CC(CNCC(C)O)O	C110974
PADEL_KR300	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR300	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR300	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR300	OC(CO)CCl	C96242
PADEL_KR300	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR300	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR300	OC(C)CN	C78966
PADEL_KR300	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR300	CC(O)CC(C)(C)O	C107415
PADEL_KR300	C1CCCCC1O	C108930
PADEL_KR300	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR300	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR300	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR300	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR300	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR300	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR300	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR300	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR300	CC(O)COC	C107982
PADEL_KR300	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR300	OCC(C(O)CCC)CC	C94962
PADEL_KR300	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR300	OC(CCCCCC)C	C123966
PADEL_KR300	OC(C)COc1ccccc1	C770354
PADEL_KR300	OC1CCCCCCCCCCC1	C1724396
PADEL_KR300	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR300	CC(CO)O	C25322694
PADEL_KR300	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR300	OC(C)COCCC	C1569013
PADEL_KR300	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR300	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR300	OC(OCCCC)CC	C29387868
PADEL_KR300	OC1CCCC1	C96413
PADEL_KR300	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR300	OC(CCCCC)C=C	C3391864
PADEL_KR300	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR300	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR300	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR300	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR300	CC(O)COCC	C1569024
PADEL_KR300	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR300	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR300	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR300	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR300	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR300	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR300	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR300	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR300	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR300	OC(CO)c1ccccc1	C93561
PADEL_KR300	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR300	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR300	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR300	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR300	OC1CCC(CCCC)CC1	C70568604
PADEL_KR300	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR300	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR300	OCC(O)CO	C56815
PADEL_KR300	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR300	CC(CO)O	C57556
PADEL_KR300	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR300	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR300	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR300	OC(CCl)CCl	C96231
PADEL_KR300	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR300	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR300	OCCC(O)C	C107880
PADEL_KR300	OC(CC(C)C)C	C108112
PADEL_KR300	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR300	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR300	OC(OC(O)CC)CC	C25265718
PADEL_KR300	OC(OCCCOC)CC	C34590948
PADEL_KR300	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR300	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR300	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR300	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR300	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR300	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR300	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR300	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR300	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR300	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR300	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR300	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR300	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR300	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR300	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR300	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR300	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR300	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR300	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR300	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR300	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR300	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR302	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR302	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR302	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR302	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR302	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR302	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR302	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR302	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR302	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR302	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR302	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR302	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR302	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR302	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR302	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR302	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR302	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR302	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR302	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR302	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR302	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR302	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR302	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR302	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR302	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR302	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR302	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR302	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR302	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR302	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR302	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR302	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR302	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR302	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR302	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR302	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR302	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR302	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR302	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR302	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR302	O=C(O)C(CCCC)CC	C149575
PADEL_KR302	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR302	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR302	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR302	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR302	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR302	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR302	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR302	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR302	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR302	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR302	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR302	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR302	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR302	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR302	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR302	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR302	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR302	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR302	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR302	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR302	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR302	ClC(=O)C(CC)CCCC	C760678
PADEL_KR302	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR302	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR302	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR302	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR302	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR302	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR302	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR303	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR303	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR303	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR303	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR303	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR303	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR303	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR303	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR303	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR303	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR303	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR304	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR304	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR304	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR304	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR304	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR304	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR304	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR304	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR304	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR304	O=C(O)C(CCCC)CC	C149575
PADEL_KR304	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR304	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR304	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR304	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR304	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR304	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR304	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR304	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR304	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR304	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR305	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR305	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR305	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR305	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR307	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR307	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR307	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR307	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR307	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR307	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR307	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR307	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR307	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR307	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR307	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR307	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR307	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR307	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR307	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR307	OC(CC(C)C)(C)C#C	C107540
PADEL_KR307	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR307	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR307	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR307	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR307	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR307	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR307	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR307	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR307	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR307	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR307	C(CC(C)C)OC(=O)C	C123922
PADEL_KR307	OC(CC(C)C)C	C108112
PADEL_KR307	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR307	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR307	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR307	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR307	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR307	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR307	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR307	O=C(CCC)OCCC(C)C	C106274
PADEL_KR307	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR307	C(CO)C(C)C	C123513
PADEL_KR307	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR307	CC(=O)CCC(C)C	C110123
PADEL_KR307	CC(=O)CC(C)C	C108101
PADEL_KR307	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR307	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR307	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR307	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR307	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR307	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR307	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR311	CC(CNCC(C)O)O	C110974
PADEL_KR311	OC(C)CN	C78966
PADEL_KR311	CC(O)CC(C)(C)O	C107415
PADEL_KR311	CC(O)COC	C107982
PADEL_KR311	OC(CCCCCC)C	C123966
PADEL_KR311	OC(C)COc1ccccc1	C770354
PADEL_KR311	CC(CO)O	C25322694
PADEL_KR311	OC(C)COCCC	C1569013
PADEL_KR311	CC(O)COCC	C1569024
PADEL_KR311	CC(CO)O	C57556
PADEL_KR311	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR311	OCCC(O)C	C107880
PADEL_KR311	OC(CC(C)C)C	C108112
PADEL_KR311	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR312	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR312	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR312	O=C1OCC(C)O1	C108327
PADEL_KR312	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR312	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR312	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR312	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR312	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR312	OCCOCC(C)OCCO	C9003116
PADEL_KR312	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR312	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR312	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR312	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR312	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR312	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR312	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR312	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR312	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR312	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR312	OCCC(OC)C	C2517433
PADEL_KR312	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR312	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR313	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR315	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR315	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR315	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR315	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR317	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR325	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR325	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR325	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR326	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR326	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR326	OC(CO)CCl	C96242
PADEL_KR326	C1CCCCC1O	C108930
PADEL_KR326	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR326	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR326	OC1CCCCCCCCCCC1	C1724396
PADEL_KR326	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR326	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR326	OC1CCCC1	C96413
PADEL_KR326	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR326	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR326	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR326	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR326	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR326	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR326	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR326	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR326	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR326	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR326	OC1CCC(CCCC)CC1	C70568604
PADEL_KR326	OCC(O)CO	C56815
PADEL_KR326	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR326	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR326	OC(CCl)CCl	C96231
PADEL_KR326	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR326	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR326	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR326	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR326	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR326	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR326	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR326	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR326	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR326	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR326	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR326	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR326	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR327	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR327	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR327	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR328	OC(CO)CCl	C96242
PADEL_KR328	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR328	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR328	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR328	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR328	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR328	OCC(O)CO	C56815
PADEL_KR330	OC(CO)CCl	C96242
PADEL_KR330	OC(CCl)CCl	C96231
PADEL_KR336	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR336	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR336	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR336	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR336	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR336	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR336	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR336	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR336	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR336	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR338	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR338	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR338	CC/C=C\CCO	C928961
PADEL_KR338	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR338	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR338	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR338	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR338	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR338	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR338	C1=CC=CC1	C542927
PADEL_KR338	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR338	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR338	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR338	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR338	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR338	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR338	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR338	O=C/C=C/CCC	C6728263
PADEL_KR338	O1C=CCCC1	C110872
PADEL_KR338	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR338	OCC=Cc1ccccc1	C104541
PADEL_KR338	O=CCC/C=C\CCCCC	C21662099
PADEL_KR338	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR338	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR338	c12ccccc1CC=C2	C95136
PADEL_KR338	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR338	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR338	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR338	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR338	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR338	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR338	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR338	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR338	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR338	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR338	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR338	O=CC=CC=CCCCCC	C25152845
PADEL_KR338	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR338	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR338	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR338	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR338	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR338	O=C/C=C/CCCCCCC	C3913813
PADEL_KR338	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR339	C=CCO	C107186
PADEL_KR339	C=CCN=C=S	C57067
PADEL_KR339	C=CCc1ccc(cc1)OC	C140670
PADEL_KR339	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR339	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR339	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR339	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR339	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR339	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR339	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR339	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR339	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR339	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR339	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR339	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR339	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR339	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR339	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR339	C=CCCCCCCCCCCCC	C1120361
PADEL_KR339	O=CCCCCCCCCC=C	C112458
PADEL_KR341	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR341	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR341	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR341	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR341	O=C1CCCCC1	C108941
PADEL_KR341	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR341	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR341	BrCCBr	C106934
PADEL_KR341	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR341	CN(CCO)C	C108010
PADEL_KR341	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR341	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR341	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR341	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR341	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR341	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR341	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR341	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR341	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR341	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR341	O=NN1CCCC1	C930552
PADEL_KR341	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR341	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR341	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR341	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR341	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR341	OCCOCCOCCOCCCC	C143226
PADEL_KR341	CCCCCCCCCC=O	C112312
PADEL_KR341	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR341	O=CCCCCCC	C111717
PADEL_KR341	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR341	CCCCCCCCC=O	C124196
PADEL_KR341	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR341	OC(=O)CCCC	C109524
PADEL_KR341	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR341	OCCC	C71238
PADEL_KR341	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR341	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR341	ON=C1CCCCC1	C100641
PADEL_KR341	OCCN1CCNCC1	C103764
PADEL_KR341	Nc1ccc(CCCC)cc1	C104132
PADEL_KR341	CCCC(=O)C	C107879
PADEL_KR341	C1CCCCC1O	C108930
PADEL_KR341	CCCCCC(=O)C	C110430
PADEL_KR341	CCNCCO	C110736
PADEL_KR341	CCCCCCO	C111273
PADEL_KR341	CCCCCCCO	C111706
PADEL_KR341	CCCCCCCCCC(=O)C	C112129
PADEL_KR341	CCCCCC(=O)OCC	C123660
PADEL_KR341	CCCCCCCCCCCCN	C124221
PADEL_KR341	NCCN1CCNCC1	C140318
PADEL_KR341	CCCCCCCCCO	C143088
PADEL_KR341	Oc1ccc(CCC)cc1	C645567
PADEL_KR341	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR341	C=CC(=O)OCCO	C818611
PADEL_KR341	CC/C=C\CCO	C928961
PADEL_KR341	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR341	CCCCCCCCCCN	C2016571
PADEL_KR341	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR341	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR341	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR341	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR341	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR341	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR341	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR341	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR341	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR341	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR341	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR341	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR341	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR341	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR341	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR341	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR341	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR341	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR341	C(=O)(O)CCC(=O)O	C110156
PADEL_KR341	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR341	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR341	ON=CCCC	C110690
PADEL_KR341	OCCCCO	C110634
PADEL_KR341	O=C(OCCCC)C=C	C141322
PADEL_KR341	C(OCCCC)C1CO1	C2426086
PADEL_KR341	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR341	C(CCN)CCCN	C124094
PADEL_KR341	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR341	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR341	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR341	N(CCN)CCN	C111400
PADEL_KR341	N(CCCN)(C)C	C109557
PADEL_KR341	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR341	C(CCCCCC)CCCCCS	C112550
PADEL_KR341	C(CC)(C=O)CCCC	C123057
PADEL_KR341	OCC(C(O)CCC)CC	C94962
PADEL_KR341	CCC(=CCCC)C=O	C645625
PADEL_KR341	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR341	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR341	O=CCCCC=O	C111308
PADEL_KR341	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR341	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR341	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR341	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR341	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR341	N#CC(CCC#N)C	C4553622
PADEL_KR341	C1COCCN1	C110918
PADEL_KR341	C(CCCCCCC)C	C111842
PADEL_KR341	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR341	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR341	c12ccccc1CCCC2	C119642
PADEL_KR341	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR341	OCCc1ccccc1	C60128
PADEL_KR341	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR341	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR341	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR341	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR341	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR341	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR341	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR341	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR341	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR341	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR341	O=C(OC)CCCCCCCCC	C110429
PADEL_KR341	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR341	N1CCCCCC1	C111499
PADEL_KR341	O=C(C)OCCOC(=O)C	C111557
PADEL_KR341	O=C(C)OCCOCCCC	C112072
PADEL_KR341	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR341	OCCOCCOCCOC	C112356
PADEL_KR341	OCCOCCOCCOCCO	C112607
PADEL_KR341	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR341	OC(CCCCCC)C	C123966
PADEL_KR341	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR341	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR341	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR341	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR341	O=C1NCCC1	C616455
PADEL_KR341	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR341	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR341	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR341	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR341	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR341	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR341	OC1CCCCCCCCCCC1	C1724396
PADEL_KR341	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR341	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR341	OCCOCCC	C2807309
PADEL_KR341	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR341	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR341	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR341	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR341	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR341	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR341	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR341	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR341	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR341	SC(C)(C)CCCCCC	C25360105
PADEL_KR341	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR341	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR341	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR341	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR341	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR341	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR341	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR341	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR341	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR341	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR341	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR341	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR341	OCC1OCCC1	C97994
PADEL_KR341	CN1CCOCC1	C109024
PADEL_KR341	O=C1CCCC1	C120923
PADEL_KR341	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR341	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR341	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR341	OC(C)COCCC	C1569013
PADEL_KR341	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR341	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR341	OCC(CCC)CCCCC	C10042598
PADEL_KR341	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR341	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR341	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR341	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR341	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR341	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR341	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR341	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR341	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR341	OC(OCCCC)CC	C29387868
PADEL_KR341	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR341	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR341	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR341	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR341	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR341	OCCSCCCCCCCC	C3547339
PADEL_KR341	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR341	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR341	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR341	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR341	OC1CCCC1	C96413
PADEL_KR341	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR341	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR341	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR341	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR341	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR341	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR341	O=C1OC(CCCCC)CC1	C104610
PADEL_KR341	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR341	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR341	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR341	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR341	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR341	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR341	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR341	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR341	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR341	OC(CCCCC)C=C	C3391864
PADEL_KR341	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR341	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR341	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR341	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR341	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR341	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR341	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR341	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR341	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR341	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR341	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR341	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR341	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR341	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR341	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR341	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR341	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR341	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR341	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR341	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR341	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR341	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR341	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR341	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR341	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR341	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR341	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR341	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR341	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR341	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR341	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR341	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR341	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR341	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR341	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR341	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR341	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR341	O=C1CCC(O1)CC	C695067
PADEL_KR341	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR341	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR341	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR341	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR341	O=C/C=C/CCC	C6728263
PADEL_KR341	O1C=CCCC1	C110872
PADEL_KR341	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR341	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR341	CCC(c1ccccc1)CCC	C4468422
PADEL_KR341	O=CCC/C=C\CCCCC	C21662099
PADEL_KR341	NCCCN1CCOCC1	C123002
PADEL_KR341	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR341	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR341	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR341	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR341	O=C(CCC)OCCCCC	C540181
PADEL_KR341	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR341	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR341	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR341	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR341	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR341	OCCOCC(CC)CCCC	C1559359
PADEL_KR341	O=C(CC)CCCCC	C106683
PADEL_KR341	OCCN(CC)CCO	C139877
PADEL_KR341	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR341	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR341	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR341	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR341	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR341	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR341	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR341	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR341	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR341	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR341	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR341	OC(C)C(=O)OCCCC	C138227
PADEL_KR341	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR341	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR341	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR341	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR341	COc1ccc(CCC)cc1	C104450
PADEL_KR341	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR341	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR341	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR341	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR341	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR341	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR341	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR341	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR341	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR341	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR341	O=C(C)OCCCCCCCC	C112141
PADEL_KR341	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR341	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR341	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR341	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR341	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR341	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR341	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR341	NCCN.I.I	C5700492
PADEL_KR341	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR341	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR341	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR341	OCC(CCCC)CCCCCC	C3913028
PADEL_KR341	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR341	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR341	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR341	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR341	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR341	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR341	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR341	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR341	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR341	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR341	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR341	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR341	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR341	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR341	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR341	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR341	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR341	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR341	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR341	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR341	OCCOCC(C)OCCO	C9003116
PADEL_KR341	O=C1OC(CCC)CC1	C105215
PADEL_KR341	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR341	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR341	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR341	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR341	Nc1ccc(CCC)cc1	C2696846
PADEL_KR341	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR341	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR341	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR341	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR341	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR341	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR341	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR341	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR341	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR341	O=C1CCC(CCC)CC1	C40649363
PADEL_KR341	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR341	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR341	OC1CCC(CCCC)CC1	C70568604
PADEL_KR341	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR341	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR341	S=C1NCCN1	C96457
PADEL_KR341	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR341	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR341	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR341	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR341	c1ccccc1OCCO	C122996
PADEL_KR341	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR341	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR341	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR341	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR341	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR341	ClCCP(=O)(O)O	C16672870
PADEL_KR341	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR341	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR341	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR341	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR341	OCCOC	C109864
PADEL_KR341	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR341	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR341	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR341	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR341	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR341	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR341	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR341	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR341	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR341	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR341	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR341	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR341	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR341	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR341	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR341	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR341	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR341	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR341	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR341	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR341	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR341	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR341	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR341	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR341	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR341	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR341	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR341	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR341	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR341	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR341	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR341	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR341	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR341	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR341	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR341	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR341	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR341	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR341	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR341	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR341	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR341	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR341	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR341	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR341	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR341	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR341	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR341	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR341	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR341	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR341	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR341	ClCCOCCCl	C111444
PADEL_KR341	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR341	O=C1CCCO1	C96480
PADEL_KR341	O=C1CCCCCN1	C105602
PADEL_KR341	OCCOCCO	C111466
PADEL_KR341	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR341	C(CO)O	C107211
PADEL_KR341	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR341	CCC(CCCC)CO	C104767
PADEL_KR341	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR341	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR341	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR341	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR341	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR341	O=C1N(CCC1)C	C872504
PADEL_KR341	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR341	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR341	O=NN(CCCC)CCCC	C924163
PADEL_KR341	O=NN(CCC)CCC	C621647
PADEL_KR341	C1CNCCN1	C110850
PADEL_KR341	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR341	O=S1(=O)CCCO1	C1120714
PADEL_KR341	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR341	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR341	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR341	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR341	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR341	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR341	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR341	OCCN(CCO)CCO	C102716
PADEL_KR341	OCCOCCOCCO	C112276
PADEL_KR341	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR341	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR341	O=C1N(C=C)CCC1	C88120
PADEL_KR341	OC(=O)CCC	C107926
PADEL_KR341	CCCCOCCOCCO	C112345
PADEL_KR341	CCCCCCCCCC(=O)O	C334485
PADEL_KR341	O=C(O)CCCCCC	C111148
PADEL_KR341	OC(=O)CCCCC(=O)O	C124049
PADEL_KR341	CCCCCC(=O)O	C142621
PADEL_KR341	CCCCCCCCC(=O)O	C112050
PADEL_KR341	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR341	CCCCCCCC=O	C124130
PADEL_KR341	CCCCCCCC(=O)O	C124072
PADEL_KR341	CCCCC=O	C110623
PADEL_KR341	CCCCCCCCCCC	C1120214
PADEL_KR341	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR341	CCN(CCO)CC	C100378
PADEL_KR341	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR341	ClCCO	C107073
PADEL_KR341	CC(=O)OCCOCC	C111159
PADEL_KR341	OCCNCCO	C111422
PADEL_KR341	N#CCCCCC#N	C111693
PADEL_KR341	CCCCCCCCO	C111875
PADEL_KR341	CCOCCOCCO	C111900
PADEL_KR341	CCCCCCCCCCO	C112301
PADEL_KR341	CCCCCCCCCCCCCO	C112709
PADEL_KR341	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR341	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR341	OCCN	C141435
PADEL_KR341	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR341	c1(CCCC)ccccc1	C104518
PADEL_KR341	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR341	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR341	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR341	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR341	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR341	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR341	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR341	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR341	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR341	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR341	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR341	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR341	NC1CCCCC1	C108918
PADEL_KR341	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR341	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR341	CCOCCO	C110805
PADEL_KR341	CCCCOCCO	C111762
PADEL_KR341	O=C=NCCCCCCN=C=O	C822060
PADEL_KR341	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR341	OCCOCCOCCOCC	C112505
PADEL_KR341	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR341	O(CCOC)CCOC	C111966
PADEL_KR341	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR341	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR341	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR341	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR341	C(CCCCCCCC)C	C124185
PADEL_KR341	O(CCOC)CCO	C111773
PADEL_KR341	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR341	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR341	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR341	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR341	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR341	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR341	O=C(O)C(CCCC)CC	C149575
PADEL_KR341	C(CC(C)C)OC(=O)C	C123922
PADEL_KR341	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR341	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR341	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR341	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR341	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR341	C(OCCOC)COCCOC	C112492
PADEL_KR341	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR341	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR341	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR341	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR341	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR341	OCCC(C)CCC=C(C)C	C106229
PADEL_KR341	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR341	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR341	OCCC(O)C	C107880
PADEL_KR341	O=C(OC)CCCCCCC	C111115
PADEL_KR341	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR341	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR341	OCCOCCCCCC	C112254
PADEL_KR341	OCCCCCCCCCCC	C112425
PADEL_KR341	OCCCCCCCCCCCC	C112538
PADEL_KR341	OCCCCCCCCCCCCCC	C112721
PADEL_KR341	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR341	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR341	CCCCCCCCCCCCCCCC	C544763
PADEL_KR341	O=C(C)OCCCCC	C628637
PADEL_KR341	CCCCCCCCCCCCCCC	C629629
PADEL_KR341	OCCCCCCCCCCCCCCC	C629765
PADEL_KR341	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR341	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR341	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR341	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR341	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR341	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR341	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR341	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR341	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR341	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR341	OC(OCCCOC)CC	C34590948
PADEL_KR341	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR341	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR341	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR341	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR341	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR341	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR341	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR341	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR341	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR341	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR341	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR341	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR341	CCCCCCCCN(C)C	C7378996
PADEL_KR341	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR341	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR341	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR341	O=C(CCC)OCC	C105544
PADEL_KR341	O=C(OCC)CCCCCC	C106309
PADEL_KR341	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR341	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR341	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR341	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR341	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR341	O=C(CCC)OCCC(C)C	C106274
PADEL_KR341	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR341	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR341	CCCc1ccccc1	C103651
PADEL_KR341	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR341	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR341	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR341	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR341	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR341	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR341	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR341	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR341	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR341	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR341	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR341	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR341	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR341	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR341	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR341	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR341	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR341	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR341	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR341	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR341	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR341	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR341	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR341	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR341	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR341	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR341	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR341	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR341	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR341	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR341	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR341	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR341	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR341	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR341	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR341	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR341	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR341	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR341	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR341	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR341	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR341	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR341	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR341	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR341	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR341	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR341	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR341	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR341	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR341	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR341	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR341	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR341	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR341	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR341	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR341	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR341	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR341	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR341	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR341	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR341	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR341	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR341	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR341	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR341	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR341	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR341	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR341	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR341	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR341	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR341	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR341	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR341	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR341	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR341	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR341	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR341	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR341	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR341	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR341	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR341	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR341	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR341	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR341	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR341	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR341	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR341	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR341	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR341	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR341	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR341	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR341	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR341	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR341	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR341	C=CCCCCCCCCCCCC	C1120361
PADEL_KR341	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR341	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR341	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR341	OCCCBr	C627189
PADEL_KR341	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR341	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR341	C(CO)C(C)C	C123513
PADEL_KR341	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR341	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR341	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR341	NCCOCCOCCN	C929599
PADEL_KR341	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR341	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR341	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR341	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR341	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR341	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR341	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR341	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR341	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR341	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR341	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR341	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR341	OCCC(OC)C	C2517433
PADEL_KR341	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR341	S=C(NCCCC)NCCCC	C109466
PADEL_KR341	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR341	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR341	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR341	O=CCCSC	C3268493
PADEL_KR341	N(CCN(C)C)(C)C	C110189
PADEL_KR341	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR341	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR341	CC(=O)OCCCC	C123864
PADEL_KR341	CC(=O)CCC(C)C	C110123
PADEL_KR341	NCCN	C107153
PADEL_KR341	CCCCCC=O	C66251
PADEL_KR341	CCCC=O	C123728
PADEL_KR341	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR341	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR341	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR341	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR341	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR341	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR341	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR341	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR341	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR341	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR341	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR341	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR341	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR341	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR341	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR341	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR341	O=CC=CC=CCCCCC	C25152845
PADEL_KR341	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR341	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR341	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR341	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR341	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR341	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR341	ClC(=O)C(CC)CCCC	C760678
PADEL_KR341	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR341	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR341	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR341	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR341	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR341	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR341	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR341	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR341	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR341	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR341	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR341	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR341	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR341	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR341	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR341	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR341	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR341	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR341	O=CCCCCCCCCC=C	C112458
PADEL_KR341	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR341	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR341	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR341	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR341	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR341	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR341	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR341	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR341	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR341	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR341	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR341	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR341	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR341	N#CSCCCCCCCCCCCC	C765151
PADEL_KR341	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR341	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR341	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR341	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR341	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR341	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR341	O=CN1CCCCC1	C2591868
PADEL_KR341	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR341	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR341	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR341	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR341	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR341	BrCCCCCCCCCCCC	C143157
PADEL_KR341	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR341	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR341	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR341	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR341	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR341	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR341	O=C(OCCCCO)C=C	C2478106
PADEL_KR341	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR341	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR341	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR341	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR341	NCCCOCCCCCCCC	C15930662
PADEL_KR341	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR341	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR341	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR341	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR341	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR341	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR341	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR341	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR341	O=C/C=C/CCCCCCC	C3913813
PADEL_KR341	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR341	SC1CCCC1	C1679078
PADEL_KR341	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR341	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR341	S=C=NCCCSC	C505793
PADEL_KR341	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR341	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR341	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR341	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR341	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR341	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR341	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR341	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR341	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR341	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR341	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR341	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR341	CCCCCCCCCC(C)C=O	C110418
PADEL_KR341	CCCCCc1ccco1	C3777693
PADEL_KR341	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR342	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR342	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR342	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR342	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR342	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR342	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR342	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR342	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR342	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR342	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR342	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR342	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR342	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR342	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR342	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR342	C(CC(C)C)OC(=O)C	C123922
PADEL_KR342	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR342	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR342	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR342	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR342	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR342	O=C(CCC)OCCC(C)C	C106274
PADEL_KR342	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR342	C(CO)C(C)C	C123513
PADEL_KR342	CC(=O)CCC(C)C	C110123
PADEL_KR342	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR343	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR343	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR343	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR343	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR343	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR343	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR343	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR343	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR343	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR343	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR343	OCCC(C)CCC=C(C)C	C106229
PADEL_KR343	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR343	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR343	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR343	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR343	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR343	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR344	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR344	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR344	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR344	O=C1CCCCC1	C108941
PADEL_KR344	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR344	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR344	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR344	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR344	O=NN1CCCC1	C930552
PADEL_KR344	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR344	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR344	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR344	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR344	OCCOCCOCCOCCCC	C143226
PADEL_KR344	CCCCCCCCCC=O	C112312
PADEL_KR344	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR344	O=CCCCCCC	C111717
PADEL_KR344	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR344	CCCCCCCCC=O	C124196
PADEL_KR344	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR344	OC(=O)CCCC	C109524
PADEL_KR344	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR344	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR344	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR344	ON=C1CCCCC1	C100641
PADEL_KR344	Nc1ccc(CCCC)cc1	C104132
PADEL_KR344	C1CCCCC1O	C108930
PADEL_KR344	CCCCCC(=O)C	C110430
PADEL_KR344	CCCCCCO	C111273
PADEL_KR344	CCCCCCCO	C111706
PADEL_KR344	CCCCCCCCCC(=O)C	C112129
PADEL_KR344	CCCCCC(=O)OCC	C123660
PADEL_KR344	CCCCCCCCCCCCN	C124221
PADEL_KR344	CCCCCCCCCO	C143088
PADEL_KR344	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR344	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR344	CCCCCCCCCCN	C2016571
PADEL_KR344	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR344	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR344	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR344	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR344	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR344	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR344	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR344	OCCCCO	C110634
PADEL_KR344	O=C(OCCCC)C=C	C141322
PADEL_KR344	C(OCCCC)C1CO1	C2426086
PADEL_KR344	C(CCN)CCCN	C124094
PADEL_KR344	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR344	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR344	N(CCCN)(C)C	C109557
PADEL_KR344	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR344	C(CCCCCC)CCCCCS	C112550
PADEL_KR344	C(CC)(C=O)CCCC	C123057
PADEL_KR344	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR344	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR344	O=CCCCC=O	C111308
PADEL_KR344	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR344	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR344	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR344	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR344	C(CCCCCCC)C	C111842
PADEL_KR344	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR344	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR344	c12ccccc1CCCC2	C119642
PADEL_KR344	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR344	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR344	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR344	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR344	O=C(OC)CCCCCCCCC	C110429
PADEL_KR344	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR344	N1CCCCCC1	C111499
PADEL_KR344	O=C(C)OCCOCCCC	C112072
PADEL_KR344	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR344	OC(CCCCCC)C	C123966
PADEL_KR344	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR344	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR344	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR344	O=C1NCCC1	C616455
PADEL_KR344	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR344	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR344	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR344	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR344	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR344	OC1CCCCCCCCCCC1	C1724396
PADEL_KR344	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR344	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR344	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR344	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR344	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR344	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR344	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR344	SC(C)(C)CCCCCC	C25360105
PADEL_KR344	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR344	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR344	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR344	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR344	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR344	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR344	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR344	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR344	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR344	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR344	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR344	OCC1OCCC1	C97994
PADEL_KR344	O=C1CCCC1	C120923
PADEL_KR344	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR344	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR344	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR344	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR344	OCC(CCC)CCCCC	C10042598
PADEL_KR344	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR344	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR344	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR344	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR344	OC(OCCCC)CC	C29387868
PADEL_KR344	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR344	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR344	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR344	OCCSCCCCCCCC	C3547339
PADEL_KR344	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR344	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR344	OC1CCCC1	C96413
PADEL_KR344	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR344	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR344	O=C1OC(CCCCC)CC1	C104610
PADEL_KR344	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR344	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR344	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR344	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR344	OC(CCCCC)C=C	C3391864
PADEL_KR344	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR344	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR344	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR344	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR344	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR344	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR344	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR344	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR344	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR344	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR344	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR344	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR344	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR344	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR344	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR344	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR344	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR344	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR344	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR344	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR344	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR344	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR344	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR344	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR344	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR344	O1C=CCCC1	C110872
PADEL_KR344	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR344	O=CCC/C=C\CCCCC	C21662099
PADEL_KR344	NCCCN1CCOCC1	C123002
PADEL_KR344	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR344	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR344	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR344	O=C(CCC)OCCCCC	C540181
PADEL_KR344	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR344	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR344	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR344	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR344	OCCOCC(CC)CCCC	C1559359
PADEL_KR344	O=C(CC)CCCCC	C106683
PADEL_KR344	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR344	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR344	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR344	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR344	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR344	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR344	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR344	OC(C)C(=O)OCCCC	C138227
PADEL_KR344	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR344	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR344	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR344	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR344	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR344	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR344	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR344	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR344	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR344	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR344	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR344	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR344	O=C(C)OCCCCCCCC	C112141
PADEL_KR344	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR344	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR344	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR344	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR344	OCC(CCCC)CCCCCC	C3913028
PADEL_KR344	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR344	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR344	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR344	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR344	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR344	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR344	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR344	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR344	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR344	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR344	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR344	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR344	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR344	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR344	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR344	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR344	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR344	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR344	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR344	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR344	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR344	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR344	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR344	OC1CCC(CCCC)CC1	C70568604
PADEL_KR344	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR344	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR344	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR344	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR344	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR344	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR344	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR344	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR344	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR344	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR344	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR344	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR344	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR344	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR344	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR344	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR344	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR344	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR344	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR344	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR344	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR344	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR344	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR344	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR344	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR344	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR344	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR344	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR344	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR344	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR344	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR344	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR344	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR344	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR344	O=C1CCCO1	C96480
PADEL_KR344	O=C1CCCCCN1	C105602
PADEL_KR344	CCC(CCCC)CO	C104767
PADEL_KR344	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR344	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR344	O=C1N(CCC1)C	C872504
PADEL_KR344	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR344	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR344	O=NN(CCCC)CCCC	C924163
PADEL_KR344	O=S1(=O)CCCO1	C1120714
PADEL_KR344	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR344	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR344	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR344	O=C1N(C=C)CCC1	C88120
PADEL_KR344	CCCCOCCOCCO	C112345
PADEL_KR344	CCCCCCCCCC(=O)O	C334485
PADEL_KR344	O=C(O)CCCCCC	C111148
PADEL_KR344	OC(=O)CCCCC(=O)O	C124049
PADEL_KR344	CCCCCC(=O)O	C142621
PADEL_KR344	CCCCCCCCC(=O)O	C112050
PADEL_KR344	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR344	CCCCCCCC=O	C124130
PADEL_KR344	CCCCCCCC(=O)O	C124072
PADEL_KR344	CCCCC=O	C110623
PADEL_KR344	CCCCCCCCCCC	C1120214
PADEL_KR344	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR344	N#CCCCCC#N	C111693
PADEL_KR344	CCCCCCCCO	C111875
PADEL_KR344	CCCCCCCCCCO	C112301
PADEL_KR344	CCCCCCCCCCCCCO	C112709
PADEL_KR344	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR344	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR344	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR344	c1(CCCC)ccccc1	C104518
PADEL_KR344	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR344	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR344	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR344	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR344	NC1CCCCC1	C108918
PADEL_KR344	CCCCOCCO	C111762
PADEL_KR344	O=C=NCCCCCCN=C=O	C822060
PADEL_KR344	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR344	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR344	C(CCCCCCCC)C	C124185
PADEL_KR344	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR344	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR344	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR344	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR344	O=C(O)C(CCCC)CC	C149575
PADEL_KR344	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR344	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR344	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR344	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR344	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR344	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR344	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR344	O=C(OC)CCCCCCC	C111115
PADEL_KR344	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR344	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR344	OCCOCCCCCC	C112254
PADEL_KR344	OCCCCCCCCCCC	C112425
PADEL_KR344	OCCCCCCCCCCCC	C112538
PADEL_KR344	OCCCCCCCCCCCCCC	C112721
PADEL_KR344	CCCCCCCCCCCCCCCC	C544763
PADEL_KR344	O=C(C)OCCCCC	C628637
PADEL_KR344	CCCCCCCCCCCCCCC	C629629
PADEL_KR344	OCCCCCCCCCCCCCCC	C629765
PADEL_KR344	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR344	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR344	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR344	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR344	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR344	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR344	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR344	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR344	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR344	OC(OCCCOC)CC	C34590948
PADEL_KR344	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR344	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR344	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR344	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR344	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR344	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR344	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR344	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR344	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR344	CCCCCCCCN(C)C	C7378996
PADEL_KR344	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR344	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR344	O=C(OCC)CCCCCC	C106309
PADEL_KR344	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR344	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR344	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR344	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR344	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR344	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR344	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR344	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR344	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR344	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR344	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR344	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR344	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR344	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR344	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR344	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR344	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR344	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR344	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR344	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR344	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR344	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR344	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR344	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR344	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR344	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR344	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR344	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR344	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR344	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR344	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR344	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR344	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR344	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR344	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR344	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR344	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR344	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR344	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR344	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR344	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR344	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR344	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR344	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR344	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR344	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR344	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR344	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR344	C=CCCCCCCCCCCCC	C1120361
PADEL_KR344	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR344	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR344	OCCCBr	C627189
PADEL_KR344	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR344	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR344	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR344	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR344	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR344	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR344	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR344	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR344	S=C(NCCCC)NCCCC	C109466
PADEL_KR344	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR344	CC(=O)OCCCC	C123864
PADEL_KR344	CCCCCC=O	C66251
PADEL_KR344	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR344	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR344	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR344	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR344	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR344	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR344	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR344	O=CC=CC=CCCCCC	C25152845
PADEL_KR344	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR344	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR344	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR344	ClC(=O)C(CC)CCCC	C760678
PADEL_KR344	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR344	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR344	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR344	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR344	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR344	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR344	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR344	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR344	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR344	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR344	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR344	O=CCCCCCCCCC=C	C112458
PADEL_KR344	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR344	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR344	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR344	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR344	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR344	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR344	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR344	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR344	N#CSCCCCCCCCCCCC	C765151
PADEL_KR344	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR344	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR344	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR344	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR344	O=CN1CCCCC1	C2591868
PADEL_KR344	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR344	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR344	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR344	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR344	BrCCCCCCCCCCCC	C143157
PADEL_KR344	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR344	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR344	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR344	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR344	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR344	O=C(OCCCCO)C=C	C2478106
PADEL_KR344	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR344	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR344	NCCCOCCCCCCCC	C15930662
PADEL_KR344	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR344	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR344	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR344	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR344	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR344	O=C/C=C/CCCCCCC	C3913813
PADEL_KR344	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR344	SC1CCCC1	C1679078
PADEL_KR344	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR344	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR344	S=C=NCCCSC	C505793
PADEL_KR344	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR344	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR344	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR344	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR344	CCCCCCCCCC(C)C=O	C110418
PADEL_KR344	CCCCCc1ccco1	C3777693
PADEL_KR346	O=C1CCCCC1	C108941
PADEL_KR346	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR346	CCCCCCCCCC=O	C112312
PADEL_KR346	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR346	O=CCCCCCC	C111717
PADEL_KR346	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR346	CCCCCCCCC=O	C124196
PADEL_KR346	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR346	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR346	ON=C1CCCCC1	C100641
PADEL_KR346	C1CCCCC1O	C108930
PADEL_KR346	CCCCCC(=O)C	C110430
PADEL_KR346	CCCCCCO	C111273
PADEL_KR346	CCCCCCCO	C111706
PADEL_KR346	CCCCCCCCCC(=O)C	C112129
PADEL_KR346	CCCCCC(=O)OCC	C123660
PADEL_KR346	CCCCCCCCCCCCN	C124221
PADEL_KR346	CCCCCCCCCO	C143088
PADEL_KR346	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR346	CCCCCCCCCCN	C2016571
PADEL_KR346	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR346	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR346	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR346	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR346	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR346	OCCCCO	C110634
PADEL_KR346	C(CCN)CCCN	C124094
PADEL_KR346	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR346	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR346	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR346	C(CCCCCC)CCCCCS	C112550
PADEL_KR346	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR346	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR346	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR346	C(CCCCCCC)C	C111842
PADEL_KR346	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR346	c12ccccc1CCCC2	C119642
PADEL_KR346	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR346	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR346	O=C(OC)CCCCCCCCC	C110429
PADEL_KR346	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR346	N1CCCCCC1	C111499
PADEL_KR346	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR346	OC(CCCCCC)C	C123966
PADEL_KR346	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR346	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR346	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR346	OC1CCCCCCCCCCC1	C1724396
PADEL_KR346	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR346	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR346	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR346	SC(C)(C)CCCCCC	C25360105
PADEL_KR346	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR346	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR346	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR346	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR346	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR346	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR346	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR346	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR346	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR346	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR346	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR346	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR346	OCC(CCC)CCCCC	C10042598
PADEL_KR346	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR346	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR346	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR346	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR346	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR346	OCCSCCCCCCCC	C3547339
PADEL_KR346	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR346	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR346	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR346	O=C1OC(CCCCC)CC1	C104610
PADEL_KR346	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR346	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR346	OC(CCCCC)C=C	C3391864
PADEL_KR346	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR346	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR346	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR346	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR346	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR346	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR346	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR346	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR346	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR346	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR346	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR346	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR346	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR346	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR346	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR346	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR346	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR346	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR346	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR346	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR346	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR346	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR346	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR346	O=CCC/C=C\CCCCC	C21662099
PADEL_KR346	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR346	O=C(CCC)OCCCCC	C540181
PADEL_KR346	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR346	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR346	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR346	O=C(CC)CCCCC	C106683
PADEL_KR346	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR346	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR346	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR346	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR346	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR346	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR346	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR346	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR346	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR346	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR346	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR346	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR346	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR346	O=C(C)OCCCCCCCC	C112141
PADEL_KR346	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR346	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR346	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR346	OCC(CCCC)CCCCCC	C3913028
PADEL_KR346	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR346	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR346	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR346	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR346	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR346	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR346	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR346	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR346	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR346	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR346	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR346	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR346	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR346	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR346	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR346	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR346	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR346	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR346	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR346	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR346	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR346	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR346	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR346	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR346	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR346	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR346	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR346	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR346	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR346	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR346	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR346	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR346	O=C1CCCCCN1	C105602
PADEL_KR346	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR346	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR346	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR346	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR346	CCCCCCCCCC(=O)O	C334485
PADEL_KR346	O=C(O)CCCCCC	C111148
PADEL_KR346	OC(=O)CCCCC(=O)O	C124049
PADEL_KR346	CCCCCC(=O)O	C142621
PADEL_KR346	CCCCCCCCC(=O)O	C112050
PADEL_KR346	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR346	CCCCCCCC=O	C124130
PADEL_KR346	CCCCCCCC(=O)O	C124072
PADEL_KR346	CCCCCCCCCCC	C1120214
PADEL_KR346	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR346	N#CCCCCC#N	C111693
PADEL_KR346	CCCCCCCCO	C111875
PADEL_KR346	CCCCCCCCCCO	C112301
PADEL_KR346	CCCCCCCCCCCCCO	C112709
PADEL_KR346	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR346	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR346	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR346	NC1CCCCC1	C108918
PADEL_KR346	O=C=NCCCCCCN=C=O	C822060
PADEL_KR346	C(CCCCCCCC)C	C124185
PADEL_KR346	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR346	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR346	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR346	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR346	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR346	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR346	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR346	O=C(OC)CCCCCCC	C111115
PADEL_KR346	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR346	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR346	OCCOCCCCCC	C112254
PADEL_KR346	OCCCCCCCCCCC	C112425
PADEL_KR346	OCCCCCCCCCCCC	C112538
PADEL_KR346	OCCCCCCCCCCCCCC	C112721
PADEL_KR346	CCCCCCCCCCCCCCCC	C544763
PADEL_KR346	O=C(C)OCCCCC	C628637
PADEL_KR346	CCCCCCCCCCCCCCC	C629629
PADEL_KR346	OCCCCCCCCCCCCCCC	C629765
PADEL_KR346	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR346	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR346	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR346	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR346	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR346	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR346	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR346	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR346	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR346	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR346	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR346	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR346	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR346	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR346	CCCCCCCCN(C)C	C7378996
PADEL_KR346	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR346	O=C(OCC)CCCCCC	C106309
PADEL_KR346	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR346	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR346	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR346	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR346	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR346	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR346	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR346	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR346	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR346	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR346	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR346	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR346	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR346	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR346	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR346	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR346	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR346	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR346	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR346	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR346	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR346	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR346	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR346	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR346	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR346	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR346	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR346	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR346	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR346	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR346	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR346	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR346	C=CCCCCCCCCCCCC	C1120361
PADEL_KR346	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR346	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR346	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR346	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR346	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR346	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR346	CCCCCC=O	C66251
PADEL_KR346	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR346	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR346	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR346	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR346	O=CC=CC=CCCCCC	C25152845
PADEL_KR346	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR346	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR346	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR346	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR346	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR346	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR346	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR346	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR346	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR346	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR346	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR346	O=CCCCCCCCCC=C	C112458
PADEL_KR346	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR346	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR346	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR346	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR346	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR346	N#CSCCCCCCCCCCCC	C765151
PADEL_KR346	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR346	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR346	O=CN1CCCCC1	C2591868
PADEL_KR346	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR346	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR346	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR346	BrCCCCCCCCCCCC	C143157
PADEL_KR346	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR346	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR346	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR346	O=C(OCCCCO)C=C	C2478106
PADEL_KR346	NCCCOCCCCCCCC	C15930662
PADEL_KR346	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR346	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR346	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR346	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR346	O=C/C=C/CCCCCCC	C3913813
PADEL_KR346	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR346	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR346	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR346	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR346	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR346	CCCCCCCCCC(C)C=O	C110418
PADEL_KR346	CCCCCc1ccco1	C3777693
PADEL_KR347	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR347	CCCCCCCCCC=O	C112312
PADEL_KR347	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR347	O=CCCCCCC	C111717
PADEL_KR347	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR347	CCCCCCCCC=O	C124196
PADEL_KR347	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR347	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR347	CCCCCCO	C111273
PADEL_KR347	CCCCCCCO	C111706
PADEL_KR347	CCCCCCCCCC(=O)C	C112129
PADEL_KR347	CCCCCCCCCCCCN	C124221
PADEL_KR347	CCCCCCCCCO	C143088
PADEL_KR347	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR347	CCCCCCCCCCN	C2016571
PADEL_KR347	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR347	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR347	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR347	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR347	C(CCN)CCCN	C124094
PADEL_KR347	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR347	C(CCCCCC)CCCCCS	C112550
PADEL_KR347	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR347	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR347	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR347	C(CCCCCCC)C	C111842
PADEL_KR347	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR347	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR347	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR347	O=C(OC)CCCCCCCCC	C110429
PADEL_KR347	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR347	N1CCCCCC1	C111499
PADEL_KR347	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR347	OC(CCCCCC)C	C123966
PADEL_KR347	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR347	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR347	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR347	OC1CCCCCCCCCCC1	C1724396
PADEL_KR347	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR347	SC(C)(C)CCCCCC	C25360105
PADEL_KR347	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR347	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR347	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR347	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR347	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR347	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR347	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR347	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR347	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR347	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR347	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR347	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR347	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR347	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR347	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR347	OCCSCCCCCCCC	C3547339
PADEL_KR347	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR347	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR347	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR347	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR347	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR347	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR347	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR347	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR347	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR347	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR347	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR347	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR347	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR347	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR347	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR347	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR347	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR347	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR347	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR347	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR347	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR347	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR347	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR347	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR347	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR347	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR347	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR347	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR347	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR347	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR347	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR347	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR347	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR347	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR347	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR347	O=C(C)OCCCCCCCC	C112141
PADEL_KR347	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR347	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR347	OCC(CCCC)CCCCCC	C3913028
PADEL_KR347	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR347	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR347	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR347	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR347	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR347	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR347	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR347	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR347	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR347	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR347	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR347	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR347	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR347	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR347	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR347	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR347	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR347	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR347	O=C1CCCCCN1	C105602
PADEL_KR347	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR347	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR347	CCCCCCCCCC(=O)O	C334485
PADEL_KR347	O=C(O)CCCCCC	C111148
PADEL_KR347	CCCCCCCCC(=O)O	C112050
PADEL_KR347	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR347	CCCCCCCC=O	C124130
PADEL_KR347	CCCCCCCC(=O)O	C124072
PADEL_KR347	CCCCCCCCCCC	C1120214
PADEL_KR347	CCCCCCCCO	C111875
PADEL_KR347	CCCCCCCCCCO	C112301
PADEL_KR347	CCCCCCCCCCCCCO	C112709
PADEL_KR347	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR347	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR347	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR347	O=C=NCCCCCCN=C=O	C822060
PADEL_KR347	C(CCCCCCCC)C	C124185
PADEL_KR347	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR347	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR347	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR347	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR347	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR347	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR347	O=C(OC)CCCCCCC	C111115
PADEL_KR347	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR347	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR347	OCCOCCCCCC	C112254
PADEL_KR347	OCCCCCCCCCCC	C112425
PADEL_KR347	OCCCCCCCCCCCC	C112538
PADEL_KR347	OCCCCCCCCCCCCCC	C112721
PADEL_KR347	CCCCCCCCCCCCCCCC	C544763
PADEL_KR347	CCCCCCCCCCCCCCC	C629629
PADEL_KR347	OCCCCCCCCCCCCCCC	C629765
PADEL_KR347	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR347	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR347	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR347	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR347	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR347	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR347	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR347	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR347	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR347	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR347	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR347	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR347	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR347	CCCCCCCCN(C)C	C7378996
PADEL_KR347	O=C(OCC)CCCCCC	C106309
PADEL_KR347	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR347	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR347	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR347	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR347	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR347	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR347	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR347	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR347	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR347	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR347	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR347	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR347	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR347	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR347	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR347	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR347	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR347	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR347	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR347	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR347	C=CCCCCCCCCCCCC	C1120361
PADEL_KR347	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR347	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR347	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR347	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR347	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR347	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR347	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR347	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR347	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR347	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR347	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR347	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR347	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR347	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR347	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR347	O=CCCCCCCCCC=C	C112458
PADEL_KR347	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR347	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR347	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR347	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR347	N#CSCCCCCCCCCCCC	C765151
PADEL_KR347	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR347	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR347	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR347	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR347	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR347	BrCCCCCCCCCCCC	C143157
PADEL_KR347	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR347	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR347	NCCCOCCCCCCCC	C15930662
PADEL_KR347	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR347	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR347	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR347	O=C/C=C/CCCCCCC	C3913813
PADEL_KR347	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR347	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR347	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR347	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR347	CCCCCCCCCC(C)C=O	C110418
PADEL_KR348	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR348	CCCCCCCCCC=O	C112312
PADEL_KR348	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR348	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR348	CCCCCCCCC=O	C124196
PADEL_KR348	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR348	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR348	CCCCCCCO	C111706
PADEL_KR348	CCCCCCCCCC(=O)C	C112129
PADEL_KR348	CCCCCCCCCCCCN	C124221
PADEL_KR348	CCCCCCCCCO	C143088
PADEL_KR348	CCCCCCCCCCN	C2016571
PADEL_KR348	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR348	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR348	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR348	C(CCN)CCCN	C124094
PADEL_KR348	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR348	C(CCCCCC)CCCCCS	C112550
PADEL_KR348	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR348	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR348	C(CCCCCCC)C	C111842
PADEL_KR348	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR348	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR348	O=C(OC)CCCCCCCCC	C110429
PADEL_KR348	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR348	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR348	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR348	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR348	OC1CCCCCCCCCCC1	C1724396
PADEL_KR348	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR348	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR348	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR348	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR348	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR348	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR348	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR348	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR348	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR348	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR348	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR348	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR348	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR348	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR348	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR348	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR348	OCCSCCCCCCCC	C3547339
PADEL_KR348	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR348	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR348	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR348	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR348	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR348	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR348	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR348	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR348	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR348	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR348	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR348	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR348	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR348	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR348	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR348	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR348	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR348	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR348	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR348	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR348	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR348	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR348	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR348	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR348	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR348	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR348	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR348	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR348	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR348	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR348	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR348	O=C(C)OCCCCCCCC	C112141
PADEL_KR348	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR348	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR348	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR348	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR348	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR348	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR348	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR348	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR348	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR348	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR348	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR348	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR348	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR348	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR348	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR348	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR348	CCCCCCCCCC(=O)O	C334485
PADEL_KR348	CCCCCCCCC(=O)O	C112050
PADEL_KR348	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR348	CCCCCCCC=O	C124130
PADEL_KR348	CCCCCCCC(=O)O	C124072
PADEL_KR348	CCCCCCCCCCC	C1120214
PADEL_KR348	CCCCCCCCO	C111875
PADEL_KR348	CCCCCCCCCCO	C112301
PADEL_KR348	CCCCCCCCCCCCCO	C112709
PADEL_KR348	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR348	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR348	O=C=NCCCCCCN=C=O	C822060
PADEL_KR348	C(CCCCCCCC)C	C124185
PADEL_KR348	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR348	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR348	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR348	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR348	O=C(OC)CCCCCCC	C111115
PADEL_KR348	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR348	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR348	OCCCCCCCCCCC	C112425
PADEL_KR348	OCCCCCCCCCCCC	C112538
PADEL_KR348	OCCCCCCCCCCCCCC	C112721
PADEL_KR348	CCCCCCCCCCCCCCCC	C544763
PADEL_KR348	CCCCCCCCCCCCCCC	C629629
PADEL_KR348	OCCCCCCCCCCCCCCC	C629765
PADEL_KR348	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR348	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR348	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR348	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR348	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR348	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR348	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR348	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR348	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR348	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR348	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR348	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR348	CCCCCCCCN(C)C	C7378996
PADEL_KR348	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR348	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR348	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR348	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR348	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR348	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR348	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR348	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR348	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR348	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR348	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR348	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR348	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR348	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR348	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR348	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR348	C=CCCCCCCCCCCCC	C1120361
PADEL_KR348	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR348	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR348	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR348	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR348	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR348	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR348	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR348	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR348	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR348	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR348	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR348	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR348	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR348	O=CCCCCCCCCC=C	C112458
PADEL_KR348	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR348	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR348	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR348	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR348	N#CSCCCCCCCCCCCC	C765151
PADEL_KR348	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR348	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR348	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR348	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR348	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR348	BrCCCCCCCCCCCC	C143157
PADEL_KR348	NCCCOCCCCCCCC	C15930662
PADEL_KR348	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR348	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR348	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR348	O=C/C=C/CCCCCCC	C3913813
PADEL_KR348	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR348	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR348	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR348	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR348	CCCCCCCCCC(C)C=O	C110418
PADEL_KR349	CCCCCCCCCC=O	C112312
PADEL_KR349	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR349	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR349	CCCCCCCCC=O	C124196
PADEL_KR349	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR349	CCCCCCCCCC(=O)C	C112129
PADEL_KR349	CCCCCCCCCCCCN	C124221
PADEL_KR349	CCCCCCCCCO	C143088
PADEL_KR349	CCCCCCCCCCN	C2016571
PADEL_KR349	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR349	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR349	C(CCCCCC)CCCCCS	C112550
PADEL_KR349	C(CCCCCCC)C	C111842
PADEL_KR349	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR349	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR349	O=C(OC)CCCCCCCCC	C110429
PADEL_KR349	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR349	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR349	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR349	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR349	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR349	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR349	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR349	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR349	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR349	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR349	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR349	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR349	OCCSCCCCCCCC	C3547339
PADEL_KR349	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR349	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR349	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR349	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR349	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR349	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR349	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR349	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR349	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR349	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR349	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR349	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR349	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR349	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR349	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR349	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR349	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR349	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR349	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR349	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR349	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR349	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR349	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR349	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR349	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR349	O=C(C)OCCCCCCCC	C112141
PADEL_KR349	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR349	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR349	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR349	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR349	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR349	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR349	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR349	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR349	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR349	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR349	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR349	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR349	CCCCCCCCCC(=O)O	C334485
PADEL_KR349	CCCCCCCCC(=O)O	C112050
PADEL_KR349	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR349	CCCCCCCCCCC	C1120214
PADEL_KR349	CCCCCCCCO	C111875
PADEL_KR349	CCCCCCCCCCO	C112301
PADEL_KR349	CCCCCCCCCCCCCO	C112709
PADEL_KR349	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR349	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR349	C(CCCCCCCC)C	C124185
PADEL_KR349	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR349	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR349	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR349	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR349	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR349	OCCCCCCCCCCC	C112425
PADEL_KR349	OCCCCCCCCCCCC	C112538
PADEL_KR349	OCCCCCCCCCCCCCC	C112721
PADEL_KR349	CCCCCCCCCCCCCCCC	C544763
PADEL_KR349	CCCCCCCCCCCCCCC	C629629
PADEL_KR349	OCCCCCCCCCCCCCCC	C629765
PADEL_KR349	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR349	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR349	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR349	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR349	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR349	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR349	CCCCCCCCN(C)C	C7378996
PADEL_KR349	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR349	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR349	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR349	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR349	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR349	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR349	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR349	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR349	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR349	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR349	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR349	C=CCCCCCCCCCCCC	C1120361
PADEL_KR349	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR349	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR349	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR349	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR349	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR349	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR349	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR349	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR349	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR349	N#CSCCCCCCCCCCCC	C765151
PADEL_KR349	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR349	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR349	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR349	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR349	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR349	BrCCCCCCCCCCCC	C143157
PADEL_KR349	NCCCOCCCCCCCC	C15930662
PADEL_KR349	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR349	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR349	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR349	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR349	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR349	CCCCCCCCCC(C)C=O	C110418
PADEL_KR350	CCCCCCCCCC=O	C112312
PADEL_KR350	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR350	O=CCCCCCC	C111717
PADEL_KR350	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR350	CCCCCCCCC=O	C124196
PADEL_KR350	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR350	CCCCCCO	C111273
PADEL_KR350	CCCCCCCO	C111706
PADEL_KR350	CCCCCCCCCC(=O)C	C112129
PADEL_KR350	CCCCCCCCCCCCN	C124221
PADEL_KR350	CCCCCCCCCO	C143088
PADEL_KR350	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR350	CCCCCCCCCCN	C2016571
PADEL_KR350	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR350	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR350	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR350	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR350	C(CCCCCC)CCCCCS	C112550
PADEL_KR350	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR350	C(CCCCCCC)C	C111842
PADEL_KR350	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR350	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR350	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR350	O=C(OC)CCCCCCCCC	C110429
PADEL_KR350	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR350	OC(CCCCCC)C	C123966
PADEL_KR350	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR350	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR350	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR350	SC(C)(C)CCCCCC	C25360105
PADEL_KR350	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR350	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR350	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR350	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR350	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR350	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR350	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR350	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR350	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR350	OCCSCCCCCCCC	C3547339
PADEL_KR350	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR350	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR350	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR350	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR350	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR350	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR350	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR350	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR350	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR350	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR350	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR350	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR350	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR350	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR350	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR350	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR350	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR350	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR350	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR350	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR350	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR350	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR350	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR350	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR350	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR350	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR350	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR350	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR350	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR350	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR350	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR350	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR350	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR350	O=C(C)OCCCCCCCC	C112141
PADEL_KR350	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR350	OCC(CCCC)CCCCCC	C3913028
PADEL_KR350	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR350	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR350	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR350	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR350	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR350	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR350	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR350	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR350	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR350	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR350	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR350	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR350	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR350	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR350	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR350	CCCCCCCCCC(=O)O	C334485
PADEL_KR350	O=C(O)CCCCCC	C111148
PADEL_KR350	CCCCCCCCC(=O)O	C112050
PADEL_KR350	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR350	CCCCCCCC=O	C124130
PADEL_KR350	CCCCCCCC(=O)O	C124072
PADEL_KR350	CCCCCCCCCCC	C1120214
PADEL_KR350	CCCCCCCCO	C111875
PADEL_KR350	CCCCCCCCCCO	C112301
PADEL_KR350	CCCCCCCCCCCCCO	C112709
PADEL_KR350	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR350	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR350	C(CCCCCCCC)C	C124185
PADEL_KR350	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR350	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR350	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR350	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR350	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR350	O=C(OC)CCCCCCC	C111115
PADEL_KR350	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR350	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR350	OCCOCCCCCC	C112254
PADEL_KR350	OCCCCCCCCCCC	C112425
PADEL_KR350	OCCCCCCCCCCCC	C112538
PADEL_KR350	OCCCCCCCCCCCCCC	C112721
PADEL_KR350	CCCCCCCCCCCCCCCC	C544763
PADEL_KR350	CCCCCCCCCCCCCCC	C629629
PADEL_KR350	OCCCCCCCCCCCCCCC	C629765
PADEL_KR350	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR350	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR350	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR350	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR350	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR350	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR350	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR350	CCCCCCCCN(C)C	C7378996
PADEL_KR350	O=C(OCC)CCCCCC	C106309
PADEL_KR350	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR350	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR350	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR350	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR350	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR350	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR350	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR350	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR350	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR350	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR350	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR350	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR350	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR350	C=CCCCCCCCCCCCC	C1120361
PADEL_KR350	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR350	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR350	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR350	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR350	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR350	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR350	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR350	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR350	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR350	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR350	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR350	N#CSCCCCCCCCCCCC	C765151
PADEL_KR350	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR350	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR350	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR350	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR350	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR350	BrCCCCCCCCCCCC	C143157
PADEL_KR350	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR350	NCCCOCCCCCCCC	C15930662
PADEL_KR350	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR350	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR350	O=C/C=C/CCCCCCC	C3913813
PADEL_KR350	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR350	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR350	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR350	CCCCCCCCCC(C)C=O	C110418
PADEL_KR351	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR352	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR352	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR352	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR352	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR352	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR352	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR352	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR352	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR352	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR352	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR352	CCCCCCCCCC(=O)O	C334485
PADEL_KR352	O=C(O)CCCCCC	C111148
PADEL_KR352	CCCCCCCCC(=O)O	C112050
PADEL_KR352	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR352	CCCCCCCC(=O)O	C124072
PADEL_KR352	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR352	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR352	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR352	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR353	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR353	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR353	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR354	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR354	CCCCCCCCCC=O	C112312
PADEL_KR354	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR354	O=CCCCCCC	C111717
PADEL_KR354	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR354	CCCCCCCCC=O	C124196
PADEL_KR354	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR354	CCCCCC(=O)C	C110430
PADEL_KR354	CCCCCCO	C111273
PADEL_KR354	CCCCCCCO	C111706
PADEL_KR354	CCCCCCCCCC(=O)C	C112129
PADEL_KR354	CCCCCC(=O)OCC	C123660
PADEL_KR354	CCCCCCCCCCCCN	C124221
PADEL_KR354	CCCCCCCCCO	C143088
PADEL_KR354	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR354	CCCCCCCCCCN	C2016571
PADEL_KR354	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR354	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR354	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR354	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR354	C(CCCCCC)CCCCCS	C112550
PADEL_KR354	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR354	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR354	C(CCCCCCC)C	C111842
PADEL_KR354	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR354	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR354	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR354	O=C(OC)CCCCCCCCC	C110429
PADEL_KR354	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR354	OC(CCCCCC)C	C123966
PADEL_KR354	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR354	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR354	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR354	SC(C)(C)CCCCCC	C25360105
PADEL_KR354	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR354	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR354	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR354	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR354	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR354	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR354	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR354	OCC(CCC)CCCCC	C10042598
PADEL_KR354	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR354	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR354	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR354	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR354	OCCSCCCCCCCC	C3547339
PADEL_KR354	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR354	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR354	O=C1OC(CCCCC)CC1	C104610
PADEL_KR354	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR354	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR354	OC(CCCCC)C=C	C3391864
PADEL_KR354	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR354	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR354	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR354	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR354	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR354	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR354	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR354	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR354	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR354	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR354	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR354	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR354	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR354	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR354	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR354	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR354	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR354	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR354	O=CCC/C=C\CCCCC	C21662099
PADEL_KR354	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR354	O=C(CCC)OCCCCC	C540181
PADEL_KR354	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR354	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR354	O=C(CC)CCCCC	C106683
PADEL_KR354	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR354	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR354	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR354	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR354	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR354	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR354	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR354	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR354	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR354	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR354	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR354	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR354	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR354	O=C(C)OCCCCCCCC	C112141
PADEL_KR354	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR354	OCC(CCCC)CCCCCC	C3913028
PADEL_KR354	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR354	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR354	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR354	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR354	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR354	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR354	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR354	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR354	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR354	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR354	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR354	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR354	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR354	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR354	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR354	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR354	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR354	CCCCCCCCCC(=O)O	C334485
PADEL_KR354	O=C(O)CCCCCC	C111148
PADEL_KR354	CCCCCC(=O)O	C142621
PADEL_KR354	CCCCCCCCC(=O)O	C112050
PADEL_KR354	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR354	CCCCCCCC=O	C124130
PADEL_KR354	CCCCCCCC(=O)O	C124072
PADEL_KR354	CCCCCCCCCCC	C1120214
PADEL_KR354	CCCCCCCCO	C111875
PADEL_KR354	CCCCCCCCCCO	C112301
PADEL_KR354	CCCCCCCCCCCCCO	C112709
PADEL_KR354	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR354	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR354	C(CCCCCCCC)C	C124185
PADEL_KR354	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR354	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR354	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR354	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR354	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR354	O=C(OC)CCCCCCC	C111115
PADEL_KR354	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR354	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR354	OCCOCCCCCC	C112254
PADEL_KR354	OCCCCCCCCCCC	C112425
PADEL_KR354	OCCCCCCCCCCCC	C112538
PADEL_KR354	OCCCCCCCCCCCCCC	C112721
PADEL_KR354	CCCCCCCCCCCCCCCC	C544763
PADEL_KR354	O=C(C)OCCCCC	C628637
PADEL_KR354	CCCCCCCCCCCCCCC	C629629
PADEL_KR354	OCCCCCCCCCCCCCCC	C629765
PADEL_KR354	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR354	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR354	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR354	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR354	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR354	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR354	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR354	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR354	CCCCCCCCN(C)C	C7378996
PADEL_KR354	O=C(OCC)CCCCCC	C106309
PADEL_KR354	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR354	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR354	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR354	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR354	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR354	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR354	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR354	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR354	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR354	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR354	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR354	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR354	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR354	C=CCCCCCCCCCCCC	C1120361
PADEL_KR354	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR354	CCCCCC=O	C66251
PADEL_KR354	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR354	O=CC=CC=CCCCCC	C25152845
PADEL_KR354	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR354	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR354	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR354	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR354	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR354	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR354	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR354	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR354	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR354	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR354	N#CSCCCCCCCCCCCC	C765151
PADEL_KR354	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR354	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR354	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR354	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR354	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR354	BrCCCCCCCCCCCC	C143157
PADEL_KR354	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR354	NCCCOCCCCCCCC	C15930662
PADEL_KR354	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR354	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR354	O=C/C=C/CCCCCCC	C3913813
PADEL_KR354	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR354	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR354	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR354	CCCCCCCCCC(C)C=O	C110418
PADEL_KR354	CCCCCc1ccco1	C3777693
PADEL_KR357	CCCCCCO	C111273
PADEL_KR357	CCCCCCCO	C111706
PADEL_KR357	CCCCCCCCCO	C143088
PADEL_KR357	OCCCCO	C110634
PADEL_KR357	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR357	CCCCCCCCO	C111875
PADEL_KR357	CCCCCCCCCCO	C112301
PADEL_KR357	CCCCCCCCCCCCCO	C112709
PADEL_KR357	OCCCCCCCCCCC	C112425
PADEL_KR357	OCCCCCCCCCCCC	C112538
PADEL_KR357	OCCCCCCCCCCCCCC	C112721
PADEL_KR357	OCCCCCCCCCCCCCCC	C629765
PADEL_KR357	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR357	O=C(OCCCCO)C=C	C2478106
PADEL_KR358	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR358	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR358	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR358	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR358	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR358	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR358	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR358	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR358	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR358	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR358	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR358	CCCCCCCCCC(=O)O	C334485
PADEL_KR358	O=C(O)CCCCCC	C111148
PADEL_KR358	OC(=O)CCCCC(=O)O	C124049
PADEL_KR358	CCCCCC(=O)O	C142621
PADEL_KR358	CCCCCCCCC(=O)O	C112050
PADEL_KR358	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR358	CCCCCCCC(=O)O	C124072
PADEL_KR358	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR358	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR358	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR358	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR358	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR358	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR359	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR359	O=C(OC)CCCCCCCCC	C110429
PADEL_KR359	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR359	O=C(OC)CCCCCCC	C111115
PADEL_KR359	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR360	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR360	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR360	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR360	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR361	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR361	OCCSCCCCCCCC	C3547339
PADEL_KR361	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR361	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR361	N#CSCCCCCCCCCCCC	C765151
PADEL_KR361	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR362	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR362	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR362	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR362	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR362	OCCOCCOCCOCCCC	C143226
PADEL_KR362	CCCCCCCCCC=O	C112312
PADEL_KR362	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR362	O=CCCCCCC	C111717
PADEL_KR362	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR362	CCCCCCCCC=O	C124196
PADEL_KR362	OC(=O)CCCC	C109524
PADEL_KR362	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR362	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR362	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR362	Nc1ccc(CCCC)cc1	C104132
PADEL_KR362	CCCCCC(=O)C	C110430
PADEL_KR362	CCCCCCO	C111273
PADEL_KR362	CCCCCCCO	C111706
PADEL_KR362	CCCCCCCCCC(=O)C	C112129
PADEL_KR362	CCCCCC(=O)OCC	C123660
PADEL_KR362	CCCCCCCCCCCCN	C124221
PADEL_KR362	CCCCCCCCCO	C143088
PADEL_KR362	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR362	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR362	CCCCCCCCCCN	C2016571
PADEL_KR362	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR362	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR362	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR362	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR362	O=C(OCCCC)C=C	C141322
PADEL_KR362	C(OCCCC)C1CO1	C2426086
PADEL_KR362	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR362	C(CCCCCC)CCCCCS	C112550
PADEL_KR362	C(CC)(C=O)CCCC	C123057
PADEL_KR362	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR362	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR362	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR362	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR362	C(CCCCCCC)C	C111842
PADEL_KR362	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR362	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR362	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR362	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR362	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR362	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR362	O=C(OC)CCCCCCCCC	C110429
PADEL_KR362	O=C(C)OCCOCCCC	C112072
PADEL_KR362	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR362	OC(CCCCCC)C	C123966
PADEL_KR362	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR362	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR362	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR362	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR362	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR362	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR362	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR362	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR362	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR362	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR362	SC(C)(C)CCCCCC	C25360105
PADEL_KR362	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR362	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR362	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR362	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR362	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR362	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR362	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR362	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR362	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR362	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR362	OCC(CCC)CCCCC	C10042598
PADEL_KR362	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR362	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR362	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR362	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR362	OC(OCCCC)CC	C29387868
PADEL_KR362	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR362	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR362	OCCSCCCCCCCC	C3547339
PADEL_KR362	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR362	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR362	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR362	O=C1OC(CCCCC)CC1	C104610
PADEL_KR362	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR362	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR362	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR362	OC(CCCCC)C=C	C3391864
PADEL_KR362	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR362	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR362	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR362	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR362	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR362	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR362	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR362	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR362	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR362	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR362	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR362	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR362	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR362	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR362	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR362	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR362	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR362	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR362	O=CCC/C=C\CCCCC	C21662099
PADEL_KR362	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR362	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR362	O=C(CCC)OCCCCC	C540181
PADEL_KR362	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR362	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR362	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR362	OCCOCC(CC)CCCC	C1559359
PADEL_KR362	O=C(CC)CCCCC	C106683
PADEL_KR362	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR362	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR362	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR362	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR362	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR362	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR362	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR362	OC(C)C(=O)OCCCC	C138227
PADEL_KR362	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR362	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR362	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR362	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR362	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR362	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR362	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR362	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR362	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR362	O=C(C)OCCCCCCCC	C112141
PADEL_KR362	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR362	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR362	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR362	OCC(CCCC)CCCCCC	C3913028
PADEL_KR362	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR362	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR362	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR362	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR362	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR362	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR362	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR362	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR362	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR362	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR362	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR362	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR362	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR362	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR362	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR362	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR362	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR362	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR362	OC1CCC(CCCC)CC1	C70568604
PADEL_KR362	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR362	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR362	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR362	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR362	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR362	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR362	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR362	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR362	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR362	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR362	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR362	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR362	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR362	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR362	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR362	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR362	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR362	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR362	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR362	CCC(CCCC)CO	C104767
PADEL_KR362	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR362	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR362	O=NN(CCCC)CCCC	C924163
PADEL_KR362	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR362	CCCCOCCOCCO	C112345
PADEL_KR362	CCCCCCCCCC(=O)O	C334485
PADEL_KR362	O=C(O)CCCCCC	C111148
PADEL_KR362	CCCCCC(=O)O	C142621
PADEL_KR362	CCCCCCCCC(=O)O	C112050
PADEL_KR362	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR362	CCCCCCCC=O	C124130
PADEL_KR362	CCCCCCCC(=O)O	C124072
PADEL_KR362	CCCCC=O	C110623
PADEL_KR362	CCCCCCCCCCC	C1120214
PADEL_KR362	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR362	CCCCCCCCO	C111875
PADEL_KR362	CCCCCCCCCCO	C112301
PADEL_KR362	CCCCCCCCCCCCCO	C112709
PADEL_KR362	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR362	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR362	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR362	c1(CCCC)ccccc1	C104518
PADEL_KR362	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR362	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR362	CCCCOCCO	C111762
PADEL_KR362	C(CCCCCCCC)C	C124185
PADEL_KR362	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR362	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR362	O=C(O)C(CCCC)CC	C149575
PADEL_KR362	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR362	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR362	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR362	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR362	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR362	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR362	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR362	O=C(OC)CCCCCCC	C111115
PADEL_KR362	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR362	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR362	OCCOCCCCCC	C112254
PADEL_KR362	OCCCCCCCCCCC	C112425
PADEL_KR362	OCCCCCCCCCCCC	C112538
PADEL_KR362	OCCCCCCCCCCCCCC	C112721
PADEL_KR362	CCCCCCCCCCCCCCCC	C544763
PADEL_KR362	O=C(C)OCCCCC	C628637
PADEL_KR362	CCCCCCCCCCCCCCC	C629629
PADEL_KR362	OCCCCCCCCCCCCCCC	C629765
PADEL_KR362	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR362	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR362	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR362	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR362	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR362	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR362	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR362	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR362	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR362	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR362	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR362	CCCCCCCCN(C)C	C7378996
PADEL_KR362	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR362	O=C(OCC)CCCCCC	C106309
PADEL_KR362	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR362	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR362	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR362	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR362	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR362	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR362	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR362	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR362	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR362	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR362	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR362	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR362	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR362	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR362	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR362	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR362	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR362	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR362	C=CCCCCCCCCCCCC	C1120361
PADEL_KR362	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR362	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR362	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR362	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR362	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR362	S=C(NCCCC)NCCCC	C109466
PADEL_KR362	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR362	CC(=O)OCCCC	C123864
PADEL_KR362	CCCCCC=O	C66251
PADEL_KR362	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR362	O=CC=CC=CCCCCC	C25152845
PADEL_KR362	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR362	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR362	ClC(=O)C(CC)CCCC	C760678
PADEL_KR362	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR362	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR362	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR362	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR362	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR362	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR362	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR362	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR362	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR362	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR362	N#CSCCCCCCCCCCCC	C765151
PADEL_KR362	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR362	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR362	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR362	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR362	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR362	BrCCCCCCCCCCCC	C143157
PADEL_KR362	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR362	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR362	NCCCOCCCCCCCC	C15930662
PADEL_KR362	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR362	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR362	O=C/C=C/CCCCCCC	C3913813
PADEL_KR362	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR362	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR362	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR362	CCCCCCCCCC(C)C=O	C110418
PADEL_KR362	CCCCCc1ccco1	C3777693
PADEL_KR363	N1CCCCCC1	C111499
PADEL_KR363	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR363	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR363	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR363	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR363	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR363	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR363	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR363	O=C1CCCCCN1	C105602
PADEL_KR363	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR363	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR363	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR363	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR363	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR363	S=C(NCCCC)NCCCC	C109466
PADEL_KR363	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR363	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR363	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR363	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR364	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR364	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR364	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR364	O=C1CCCCCN1	C105602
PADEL_KR364	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR364	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR365	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR365	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR366	CCCCCCCCCCCCN	C124221
PADEL_KR366	CCCCCCCCCCN	C2016571
PADEL_KR366	C(CCN)CCCN	C124094
PADEL_KR366	N(CCCN)(C)C	C109557
PADEL_KR366	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR366	NCCCN1CCOCC1	C123002
PADEL_KR366	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR366	NCCCOCCCCCCCC	C15930662
PADEL_KR367	CCCCCCO	C111273
PADEL_KR367	CCCCCCCO	C111706
PADEL_KR367	CCCCCCCCCO	C143088
PADEL_KR367	OCCCCO	C110634
PADEL_KR367	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR367	CCCCCCCCO	C111875
PADEL_KR367	CCCCCCCCCCO	C112301
PADEL_KR367	CCCCCCCCCCCCCO	C112709
PADEL_KR367	OCCCCCCCCCCC	C112425
PADEL_KR367	OCCCCCCCCCCCC	C112538
PADEL_KR367	OCCCCCCCCCCCCCC	C112721
PADEL_KR367	OCCCCCCCCCCCCCCC	C629765
PADEL_KR367	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR367	OCCCBr	C627189
PADEL_KR367	O=C(OCCCCO)C=C	C2478106
PADEL_KR368	O=C1CCCCC1	C108941
PADEL_KR368	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR368	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR368	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR368	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR368	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR368	OC(=O)CCCC	C109524
PADEL_KR368	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR368	CCCCCC(=O)C	C110430
PADEL_KR368	CCCCCCCCCC(=O)C	C112129
PADEL_KR368	CCCCCC(=O)OCC	C123660
PADEL_KR368	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR368	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR368	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR368	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR368	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR368	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR368	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR368	O=C(OC)CCCCCCCCC	C110429
PADEL_KR368	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR368	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR368	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR368	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR368	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR368	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR368	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR368	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR368	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR368	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR368	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR368	O=C(CC)CCCCC	C106683
PADEL_KR368	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR368	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR368	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR368	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR368	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR368	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR368	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR368	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR368	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR368	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR368	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR368	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR368	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR368	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR368	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR368	O=C1CCCCCN1	C105602
PADEL_KR368	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR368	CCCCCCCCCC(=O)O	C334485
PADEL_KR368	O=C(O)CCCCCC	C111148
PADEL_KR368	OC(=O)CCCCC(=O)O	C124049
PADEL_KR368	CCCCCC(=O)O	C142621
PADEL_KR368	CCCCCCCCC(=O)O	C112050
PADEL_KR368	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR368	CCCCCCCC(=O)O	C124072
PADEL_KR368	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR368	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR368	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR368	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR368	O=C(OC)CCCCCCC	C111115
PADEL_KR368	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR368	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR368	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR368	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR368	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR368	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR368	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR368	O=C(OCC)CCCCCC	C106309
PADEL_KR368	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR368	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR368	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR368	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR368	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR368	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR368	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR368	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR368	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR368	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR368	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR368	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR368	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR368	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR368	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR368	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR368	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR369	O=C1CCCCCN1	C105602
PADEL_KR369	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR370	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR370	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR370	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR370	OC(=O)CCCC	C109524
PADEL_KR370	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR370	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR370	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR370	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR370	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR370	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR370	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR370	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR370	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR370	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR370	CCCCCCCCCC(=O)O	C334485
PADEL_KR370	O=C(O)CCCCCC	C111148
PADEL_KR370	OC(=O)CCCCC(=O)O	C124049
PADEL_KR370	CCCCCC(=O)O	C142621
PADEL_KR370	CCCCCCCCC(=O)O	C112050
PADEL_KR370	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR370	CCCCCCCC(=O)O	C124072
PADEL_KR370	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR370	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR370	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR370	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR370	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR370	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR370	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR371	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR371	O=C(OC)CCCCCCCCC	C110429
PADEL_KR371	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR371	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR371	O=C(OC)CCCCCCC	C111115
PADEL_KR371	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR371	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR374	N(CCCN)(C)C	C109557
PADEL_KR374	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR374	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR374	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR374	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR374	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR374	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR374	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR374	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR374	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR374	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR374	CCCCCCCCN(C)C	C7378996
PADEL_KR374	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR374	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR374	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR374	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR374	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR374	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR374	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR374	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR374	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR374	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR374	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR375	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR375	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR375	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR375	OCCOCCOCCOCCCC	C143226
PADEL_KR375	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR375	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR375	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR375	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR375	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR375	O=C(OCCCC)C=C	C141322
PADEL_KR375	C(OCCCC)C1CO1	C2426086
PADEL_KR375	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR375	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR375	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR375	O=C(C)OCCOCCCC	C112072
PADEL_KR375	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR375	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR375	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR375	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR375	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR375	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR375	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR375	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR375	OC(OCCCC)CC	C29387868
PADEL_KR375	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR375	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR375	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR375	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR375	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR375	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR375	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR375	O1C=CCCC1	C110872
PADEL_KR375	O=C(CCC)OCCCCC	C540181
PADEL_KR375	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR375	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR375	OC(C)C(=O)OCCCC	C138227
PADEL_KR375	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR375	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR375	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR375	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR375	O=C(C)OCCCCCCCC	C112141
PADEL_KR375	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR375	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR375	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR375	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR375	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR375	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR375	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR375	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR375	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR375	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR375	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR375	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR375	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR375	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR375	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR375	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR375	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR375	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR375	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR375	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR375	CCCCOCCOCCO	C112345
PADEL_KR375	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR375	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR375	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR375	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR375	CCCCOCCO	C111762
PADEL_KR375	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR375	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR375	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR375	OCCOCCCCCC	C112254
PADEL_KR375	O=C(C)OCCCCC	C628637
PADEL_KR375	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR375	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR375	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR375	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR375	OC(OCCCOC)CC	C34590948
PADEL_KR375	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR375	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR375	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR375	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR375	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR375	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR375	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR375	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR375	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR375	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR375	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR375	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR375	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR375	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR375	CC(=O)OCCCC	C123864
PADEL_KR375	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR375	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR375	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR375	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR375	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR375	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR375	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR375	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR375	O=C(OCCCCO)C=C	C2478106
PADEL_KR375	NCCCOCCCCCCCC	C15930662
PADEL_KR376	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR376	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR376	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR376	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR376	O=C(OCCCC)C=C	C141322
PADEL_KR376	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR376	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR376	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR376	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR376	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR376	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR376	O=C(CCC)OCCCCC	C540181
PADEL_KR376	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR376	OC(C)C(=O)OCCCC	C138227
PADEL_KR376	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR376	O=C(C)OCCCCCCCC	C112141
PADEL_KR376	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR376	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR376	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR376	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR376	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR376	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR376	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR376	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR376	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR376	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR376	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR376	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR376	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR376	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR376	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR376	O=C(C)OCCCCC	C628637
PADEL_KR376	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR376	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR376	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR376	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR376	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR376	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR376	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR376	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR376	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR376	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR376	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR376	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR376	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR376	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR376	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR376	CC(=O)OCCCC	C123864
PADEL_KR376	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR376	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR376	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR376	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR376	O=C(OCCCCO)C=C	C2478106
PADEL_KR381	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR381	OCCSCCCCCCCC	C3547339
PADEL_KR381	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR381	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR381	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR381	N#CSCCCCCCCCCCCC	C765151
PADEL_KR381	S=C=NCCCSC	C505793
PADEL_KR381	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR382	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR382	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR382	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR382	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR382	OCCOCCOCCOCCCC	C143226
PADEL_KR382	CCCCCCCCCC=O	C112312
PADEL_KR382	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR382	O=CCCCCCC	C111717
PADEL_KR382	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR382	CCCCCCCCC=O	C124196
PADEL_KR382	OC(=O)CCCC	C109524
PADEL_KR382	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR382	OCCC	C71238
PADEL_KR382	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR382	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR382	Nc1ccc(CCCC)cc1	C104132
PADEL_KR382	CCCC(=O)C	C107879
PADEL_KR382	CCCCCC(=O)C	C110430
PADEL_KR382	CCCCCCO	C111273
PADEL_KR382	CCCCCCCO	C111706
PADEL_KR382	CCCCCCCCCC(=O)C	C112129
PADEL_KR382	CCCCCC(=O)OCC	C123660
PADEL_KR382	CCCCCCCCCCCCN	C124221
PADEL_KR382	CCCCCCCCCO	C143088
PADEL_KR382	Oc1ccc(CCC)cc1	C645567
PADEL_KR382	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR382	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR382	CCCCCCCCCCN	C2016571
PADEL_KR382	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR382	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR382	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR382	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR382	ON=CCCC	C110690
PADEL_KR382	O=C(OCCCC)C=C	C141322
PADEL_KR382	C(OCCCC)C1CO1	C2426086
PADEL_KR382	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR382	C(CCCCCC)CCCCCS	C112550
PADEL_KR382	C(CC)(C=O)CCCC	C123057
PADEL_KR382	OCC(C(O)CCC)CC	C94962
PADEL_KR382	CCC(=CCCC)C=O	C645625
PADEL_KR382	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR382	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR382	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR382	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR382	C(CCCCCCC)C	C111842
PADEL_KR382	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR382	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR382	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR382	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR382	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR382	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR382	O=C(OC)CCCCCCCCC	C110429
PADEL_KR382	O=C(C)OCCOCCCC	C112072
PADEL_KR382	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR382	OC(CCCCCC)C	C123966
PADEL_KR382	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR382	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR382	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR382	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR382	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR382	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR382	OCCOCCC	C2807309
PADEL_KR382	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR382	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR382	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR382	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR382	SC(C)(C)CCCCCC	C25360105
PADEL_KR382	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR382	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR382	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR382	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR382	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR382	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR382	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR382	OC(C)COCCC	C1569013
PADEL_KR382	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR382	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR382	OCC(CCC)CCCCC	C10042598
PADEL_KR382	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR382	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR382	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR382	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR382	OC(OCCCC)CC	C29387868
PADEL_KR382	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR382	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR382	OCCSCCCCCCCC	C3547339
PADEL_KR382	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR382	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR382	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR382	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR382	O=C1OC(CCCCC)CC1	C104610
PADEL_KR382	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR382	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR382	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR382	OC(CCCCC)C=C	C3391864
PADEL_KR382	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR382	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR382	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR382	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR382	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR382	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR382	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR382	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR382	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR382	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR382	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR382	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR382	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR382	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR382	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR382	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR382	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR382	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR382	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR382	O=C/C=C/CCC	C6728263
PADEL_KR382	CCC(c1ccccc1)CCC	C4468422
PADEL_KR382	O=CCC/C=C\CCCCC	C21662099
PADEL_KR382	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR382	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR382	O=C(CCC)OCCCCC	C540181
PADEL_KR382	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR382	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR382	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR382	OCCOCC(CC)CCCC	C1559359
PADEL_KR382	O=C(CC)CCCCC	C106683
PADEL_KR382	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR382	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR382	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR382	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR382	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR382	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR382	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR382	OC(C)C(=O)OCCCC	C138227
PADEL_KR382	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR382	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR382	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR382	COc1ccc(CCC)cc1	C104450
PADEL_KR382	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR382	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR382	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR382	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR382	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR382	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR382	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR382	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR382	O=C(C)OCCCCCCCC	C112141
PADEL_KR382	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR382	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR382	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR382	OCC(CCCC)CCCCCC	C3913028
PADEL_KR382	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR382	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR382	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR382	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR382	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR382	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR382	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR382	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR382	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR382	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR382	O=C1OC(CCC)CC1	C105215
PADEL_KR382	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR382	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR382	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR382	Nc1ccc(CCC)cc1	C2696846
PADEL_KR382	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR382	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR382	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR382	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR382	O=C1CCC(CCC)CC1	C40649363
PADEL_KR382	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR382	OC1CCC(CCCC)CC1	C70568604
PADEL_KR382	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR382	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR382	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR382	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR382	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR382	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR382	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR382	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR382	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR382	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR382	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR382	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR382	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR382	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR382	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR382	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR382	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR382	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR382	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR382	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR382	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR382	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR382	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR382	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR382	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR382	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR382	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR382	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR382	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR382	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR382	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR382	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR382	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR382	CCC(CCCC)CO	C104767
PADEL_KR382	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR382	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR382	O=NN(CCCC)CCCC	C924163
PADEL_KR382	O=NN(CCC)CCC	C621647
PADEL_KR382	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR382	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR382	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR382	OC(=O)CCC	C107926
PADEL_KR382	CCCCOCCOCCO	C112345
PADEL_KR382	CCCCCCCCCC(=O)O	C334485
PADEL_KR382	O=C(O)CCCCCC	C111148
PADEL_KR382	CCCCCC(=O)O	C142621
PADEL_KR382	CCCCCCCCC(=O)O	C112050
PADEL_KR382	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR382	CCCCCCCC=O	C124130
PADEL_KR382	CCCCCCCC(=O)O	C124072
PADEL_KR382	CCCCC=O	C110623
PADEL_KR382	CCCCCCCCCCC	C1120214
PADEL_KR382	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR382	CCCCCCCCO	C111875
PADEL_KR382	CCCCCCCCCCO	C112301
PADEL_KR382	CCCCCCCCCCCCCO	C112709
PADEL_KR382	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR382	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR382	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR382	c1(CCCC)ccccc1	C104518
PADEL_KR382	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR382	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR382	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR382	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR382	CCCCOCCO	C111762
PADEL_KR382	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR382	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR382	C(CCCCCCCC)C	C124185
PADEL_KR382	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR382	O=C(O)C(CCCC)CC	C149575
PADEL_KR382	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR382	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR382	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR382	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR382	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR382	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR382	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR382	O=C(OC)CCCCCCC	C111115
PADEL_KR382	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR382	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR382	OCCOCCCCCC	C112254
PADEL_KR382	OCCCCCCCCCCC	C112425
PADEL_KR382	OCCCCCCCCCCCC	C112538
PADEL_KR382	OCCCCCCCCCCCCCC	C112721
PADEL_KR382	CCCCCCCCCCCCCCCC	C544763
PADEL_KR382	O=C(C)OCCCCC	C628637
PADEL_KR382	CCCCCCCCCCCCCCC	C629629
PADEL_KR382	OCCCCCCCCCCCCCCC	C629765
PADEL_KR382	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR382	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR382	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR382	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR382	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR382	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR382	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR382	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR382	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR382	CCCCCCCCN(C)C	C7378996
PADEL_KR382	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR382	O=C(CCC)OCC	C105544
PADEL_KR382	O=C(OCC)CCCCCC	C106309
PADEL_KR382	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR382	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR382	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR382	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR382	O=C(CCC)OCCC(C)C	C106274
PADEL_KR382	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR382	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR382	CCCc1ccccc1	C103651
PADEL_KR382	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR382	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR382	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR382	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR382	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR382	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR382	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR382	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR382	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR382	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR382	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR382	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR382	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR382	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR382	C=CCCCCCCCCCCCC	C1120361
PADEL_KR382	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR382	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR382	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR382	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR382	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR382	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR382	S=C(NCCCC)NCCCC	C109466
PADEL_KR382	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR382	CC(=O)OCCCC	C123864
PADEL_KR382	CCCCCC=O	C66251
PADEL_KR382	CCCC=O	C123728
PADEL_KR382	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR382	O=CC=CC=CCCCCC	C25152845
PADEL_KR382	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR382	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR382	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR382	ClC(=O)C(CC)CCCC	C760678
PADEL_KR382	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR382	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR382	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR382	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR382	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR382	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR382	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR382	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR382	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR382	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR382	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR382	N#CSCCCCCCCCCCCC	C765151
PADEL_KR382	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR382	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR382	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR382	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR382	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR382	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR382	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR382	BrCCCCCCCCCCCC	C143157
PADEL_KR382	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR382	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR382	NCCCOCCCCCCCC	C15930662
PADEL_KR382	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR382	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR382	O=C/C=C/CCCCCCC	C3913813
PADEL_KR382	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR382	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR382	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR382	CCCCCCCCCC(C)C=O	C110418
PADEL_KR382	CCCCCc1ccco1	C3777693
PADEL_KR383	OCCN1CCNCC1	C103764
PADEL_KR383	CCNCCO	C110736
PADEL_KR383	NCCN1CCNCC1	C140318
PADEL_KR383	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR383	N(CCN)CCN	C111400
PADEL_KR383	C1COCCN1	C110918
PADEL_KR383	N1CCCCCC1	C111499
PADEL_KR383	O=C1NCCC1	C616455
PADEL_KR383	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR383	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR383	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR383	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR383	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR383	S=C1NCCN1	C96457
PADEL_KR383	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR383	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR383	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR383	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR383	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR383	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR383	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR383	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR383	O=C1CCCCCN1	C105602
PADEL_KR383	C1CNCCN1	C110850
PADEL_KR383	OCCNCCO	C111422
PADEL_KR383	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR383	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR383	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR383	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR383	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR383	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR383	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR383	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR383	S=C(NCCCC)NCCCC	C109466
PADEL_KR383	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR383	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR383	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR383	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR383	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR383	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR387	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR387	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR387	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR387	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR387	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR387	O=C1CCCCCN1	C105602
PADEL_KR387	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR387	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR387	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR390	O=C1CCCCCN1	C105602
PADEL_KR390	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR391	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR393	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR396	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR396	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR396	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR397	CCCCCCCCCCCCN	C124221
PADEL_KR397	NCCN1CCNCC1	C140318
PADEL_KR397	CCCCCCCCCCN	C2016571
PADEL_KR397	C(CCN)CCCN	C124094
PADEL_KR397	N(CCN)CCN	C111400
PADEL_KR397	N(CCCN)(C)C	C109557
PADEL_KR397	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR397	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR397	NCCCN1CCOCC1	C123002
PADEL_KR397	NCCN.I.I	C5700492
PADEL_KR397	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR397	OCCN	C141435
PADEL_KR397	NCCOCCOCCN	C929599
PADEL_KR397	NCCN	C107153
PADEL_KR397	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR397	NCCCOCCCCCCCC	C15930662
PADEL_KR398	CN(CCO)C	C108010
PADEL_KR398	OCCOCCOCCOCCCC	C143226
PADEL_KR398	OCCC	C71238
PADEL_KR398	OCCN1CCNCC1	C103764
PADEL_KR398	CCNCCO	C110736
PADEL_KR398	CCCCCCO	C111273
PADEL_KR398	CCCCCCCO	C111706
PADEL_KR398	CCCCCCCCCO	C143088
PADEL_KR398	C=CC(=O)OCCO	C818611
PADEL_KR398	CC/C=C\CCO	C928961
PADEL_KR398	OCCCCO	C110634
PADEL_KR398	OCCc1ccccc1	C60128
PADEL_KR398	OCCOCCOCCOC	C112356
PADEL_KR398	OCCOCCOCCOCCO	C112607
PADEL_KR398	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR398	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR398	OCCOCCC	C2807309
PADEL_KR398	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR398	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR398	OCCSCCCCCCCC	C3547339
PADEL_KR398	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR398	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR398	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR398	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR398	OCCOCC(CC)CCCC	C1559359
PADEL_KR398	OCCN(CC)CCO	C139877
PADEL_KR398	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR398	OCCOCC(C)OCCO	C9003116
PADEL_KR398	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR398	c1ccccc1OCCO	C122996
PADEL_KR398	OCCOC	C109864
PADEL_KR398	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR398	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR398	OCCOCCO	C111466
PADEL_KR398	C(CO)O	C107211
PADEL_KR398	OCCN(CCO)CCO	C102716
PADEL_KR398	OCCOCCOCCO	C112276
PADEL_KR398	CCCCOCCOCCO	C112345
PADEL_KR398	CCN(CCO)CC	C100378
PADEL_KR398	ClCCO	C107073
PADEL_KR398	OCCNCCO	C111422
PADEL_KR398	CCCCCCCCO	C111875
PADEL_KR398	CCOCCOCCO	C111900
PADEL_KR398	CCCCCCCCCCO	C112301
PADEL_KR398	CCCCCCCCCCCCCO	C112709
PADEL_KR398	OCCN	C141435
PADEL_KR398	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR398	CCOCCO	C110805
PADEL_KR398	CCCCOCCO	C111762
PADEL_KR398	OCCOCCOCCOCC	C112505
PADEL_KR398	O(CCOC)CCO	C111773
PADEL_KR398	OCCC(C)CCC=C(C)C	C106229
PADEL_KR398	OCCC(O)C	C107880
PADEL_KR398	OCCOCCCCCC	C112254
PADEL_KR398	OCCCCCCCCCCC	C112425
PADEL_KR398	OCCCCCCCCCCCC	C112538
PADEL_KR398	OCCCCCCCCCCCCCC	C112721
PADEL_KR398	OCCCCCCCCCCCCCCC	C629765
PADEL_KR398	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR398	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR398	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR398	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR398	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR398	OCCCBr	C627189
PADEL_KR398	C(CO)C(C)C	C123513
PADEL_KR398	OCCC(OC)C	C2517433
PADEL_KR398	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR398	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR398	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR398	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR398	O=C(OCCCCO)C=C	C2478106
PADEL_KR398	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR398	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR399	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR399	N#CC(CCC#N)C	C4553622
PADEL_KR399	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR399	N#CCCCCC#N	C111693
PADEL_KR400	ON=C1CCCCC1	C100641
PADEL_KR401	O=C1CCCCC1	C108941
PADEL_KR401	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR401	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR401	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR401	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR401	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR401	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR401	OC(=O)CCCC	C109524
PADEL_KR401	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR401	CCCC(=O)C	C107879
PADEL_KR401	CCCCCC(=O)C	C110430
PADEL_KR401	CCCCCCCCCC(=O)C	C112129
PADEL_KR401	CCCCCC(=O)OCC	C123660
PADEL_KR401	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR401	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR401	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR401	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR401	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR401	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR401	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR401	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR401	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR401	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR401	C(=O)(O)CCC(=O)O	C110156
PADEL_KR401	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR401	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR401	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR401	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR401	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR401	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR401	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR401	O=C(OC)CCCCCCCCC	C110429
PADEL_KR401	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR401	O=C1NCCC1	C616455
PADEL_KR401	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR401	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR401	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR401	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR401	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR401	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR401	O=C1CCCC1	C120923
PADEL_KR401	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR401	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR401	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR401	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR401	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR401	O=C1OC(CCCCC)CC1	C104610
PADEL_KR401	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR401	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR401	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR401	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR401	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR401	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR401	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR401	O=C1CCC(O1)CC	C695067
PADEL_KR401	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR401	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR401	O=C(CCC)OCCCCC	C540181
PADEL_KR401	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR401	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR401	O=C(CC)CCCCC	C106683
PADEL_KR401	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR401	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR401	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR401	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR401	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR401	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR401	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR401	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR401	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR401	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR401	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR401	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR401	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR401	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR401	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR401	O=C1OC(CCC)CC1	C105215
PADEL_KR401	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR401	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR401	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR401	O=C1CCC(CCC)CC1	C40649363
PADEL_KR401	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR401	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR401	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR401	O=C1CCCO1	C96480
PADEL_KR401	O=C1CCCCCN1	C105602
PADEL_KR401	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR401	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR401	O=C1N(CCC1)C	C872504
PADEL_KR401	O=C1N(C=C)CCC1	C88120
PADEL_KR401	OC(=O)CCC	C107926
PADEL_KR401	CCCCCCCCCC(=O)O	C334485
PADEL_KR401	O=C(O)CCCCCC	C111148
PADEL_KR401	OC(=O)CCCCC(=O)O	C124049
PADEL_KR401	CCCCCC(=O)O	C142621
PADEL_KR401	CCCCCCCCC(=O)O	C112050
PADEL_KR401	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR401	CCCCCCCC(=O)O	C124072
PADEL_KR401	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR401	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR401	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR401	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR401	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR401	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR401	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR401	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR401	O=C(OC)CCCCCCC	C111115
PADEL_KR401	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR401	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR401	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR401	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR401	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR401	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR401	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR401	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR401	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR401	O=C(CCC)OCC	C105544
PADEL_KR401	O=C(OCC)CCCCCC	C106309
PADEL_KR401	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR401	O=C(CCC)OCCC(C)C	C106274
PADEL_KR401	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR401	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR401	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR401	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR401	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR401	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR401	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR401	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR401	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR401	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR401	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR401	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR401	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR401	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR401	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR401	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR401	CC(=O)CCC(C)C	C110123
PADEL_KR401	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR401	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR401	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR401	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR401	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR401	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR401	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR401	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR401	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR401	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR401	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR401	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR401	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR401	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR401	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR401	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR401	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR401	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR401	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR402	CCCC(=O)C	C107879
PADEL_KR402	CCCCCC(=O)C	C110430
PADEL_KR402	CCCCCCCCCC(=O)C	C112129
PADEL_KR402	CC(=O)CCC(C)C	C110123
PADEL_KR402	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR403	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR403	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR403	O=C1CCCCCN1	C105602
PADEL_KR403	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR403	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR409	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR409	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR409	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR409	OC(=O)CCCC	C109524
PADEL_KR409	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR409	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR409	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR409	C(=O)(O)CCC(=O)O	C110156
PADEL_KR409	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR409	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR409	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR409	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR409	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR409	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR409	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR409	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR409	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR409	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR409	OC(=O)CCC	C107926
PADEL_KR409	CCCCCCCCCC(=O)O	C334485
PADEL_KR409	O=C(O)CCCCCC	C111148
PADEL_KR409	OC(=O)CCCCC(=O)O	C124049
PADEL_KR409	CCCCCC(=O)O	C142621
PADEL_KR409	CCCCCCCCC(=O)O	C112050
PADEL_KR409	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR409	CCCCCCCC(=O)O	C124072
PADEL_KR409	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR409	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR409	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR409	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR409	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR409	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR409	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR409	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR409	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR409	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR409	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR409	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR409	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR409	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR409	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR410	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR410	CCCCCC(=O)OCC	C123660
PADEL_KR410	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR410	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR410	O=C(OC)CCCCCCCCC	C110429
PADEL_KR410	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR410	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR410	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR410	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR410	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR410	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR410	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR410	O=C(CCC)OCCCCC	C540181
PADEL_KR410	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR410	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR410	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR410	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR410	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR410	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR410	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR410	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR410	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR410	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR410	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR410	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR410	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR410	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR410	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR410	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR410	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR410	O=C(OC)CCCCCCC	C111115
PADEL_KR410	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR410	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR410	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR410	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR410	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR410	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR410	O=C(CCC)OCC	C105544
PADEL_KR410	O=C(OCC)CCCCCC	C106309
PADEL_KR410	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR410	O=C(CCC)OCCC(C)C	C106274
PADEL_KR410	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR410	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR410	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR410	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR410	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR410	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR410	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR410	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR410	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR410	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR411	CCCCCC(=O)OCC	C123660
PADEL_KR411	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR411	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR411	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR411	O=C(CCC)OCC	C105544
PADEL_KR411	O=C(OCC)CCCCCC	C106309
PADEL_KR411	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR412	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR412	O=C(OC)CCCCCCCCC	C110429
PADEL_KR412	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR412	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR412	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR412	O=C(OC)CCCCCCC	C111115
PADEL_KR412	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR412	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR413	OCCc1ccccc1	C60128
PADEL_KR413	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR413	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR413	c1(CCCC)ccccc1	C104518
PADEL_KR413	CCCc1ccccc1	C103651
PADEL_KR413	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR413	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR418	OCCN1CCNCC1	C103764
PADEL_KR418	NCCN1CCNCC1	C140318
PADEL_KR433	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR433	NCCCN1CCOCC1	C123002
PADEL_KR433	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR433	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR433	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR433	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR433	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR433	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR434	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR434	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR434	OCCN(CC)CCO	C139877
PADEL_KR434	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR434	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR434	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR434	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR434	CCN(CCO)CC	C100378
PADEL_KR434	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR434	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR434	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR434	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR434	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR434	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR434	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR435	CN(CCO)C	C108010
PADEL_KR435	N(CCCN)(C)C	C109557
PADEL_KR435	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR435	CN1CCOCC1	C109024
PADEL_KR435	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR435	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR435	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR435	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR435	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR435	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR435	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR435	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR435	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR435	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR435	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR435	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR435	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR435	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR435	O=C1N(CCC1)C	C872504
PADEL_KR435	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR435	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR435	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR435	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR435	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR435	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR435	CCCCCCCCN(C)C	C7378996
PADEL_KR435	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR435	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR435	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR435	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR435	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR435	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR435	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR435	N(CCN(C)C)(C)C	C110189
PADEL_KR435	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR435	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR435	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR435	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR435	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR435	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR435	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR435	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR435	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR435	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR435	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR435	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR435	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR435	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR437	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR438	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR438	OCCN1CCNCC1	C103764
PADEL_KR438	NCCN1CCNCC1	C140318
PADEL_KR438	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR438	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR438	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR438	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR438	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR438	NCCCN1CCOCC1	C123002
PADEL_KR438	OCCN(CC)CCO	C139877
PADEL_KR438	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR438	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR438	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR438	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR438	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR438	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR438	OCCN(CCO)CCO	C102716
PADEL_KR438	CCN(CCO)CC	C100378
PADEL_KR438	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR438	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR438	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR438	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR438	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR438	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR438	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR438	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR438	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR438	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR438	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR438	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR438	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR438	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR438	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR438	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR438	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR438	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR438	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR438	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR438	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR438	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR438	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR438	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR438	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR438	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR438	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR438	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR438	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR438	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR438	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR438	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR438	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR438	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR438	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR438	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR438	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR439	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR440	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR440	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR440	CCN(CCO)CC	C100378
PADEL_KR440	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR440	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR442	CN(CCO)C	C108010
PADEL_KR442	N(CCCN)(C)C	C109557
PADEL_KR442	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR442	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR442	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR442	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR442	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR442	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR442	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR442	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR442	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR442	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR442	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR442	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR442	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR442	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR442	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR442	CCCCCCCCN(C)C	C7378996
PADEL_KR442	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR442	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR442	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR442	N(CCN(C)C)(C)C	C110189
PADEL_KR442	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR442	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR442	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR442	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR442	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR442	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR442	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR442	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR442	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR442	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR442	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR442	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR444	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR444	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR444	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR444	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR444	OCCOCCOCCOCCCC	C143226
PADEL_KR444	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR444	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR444	C=CC(=O)OCCO	C818611
PADEL_KR444	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR444	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR444	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR444	O=C(OCCCC)C=C	C141322
PADEL_KR444	C(OCCCC)C1CO1	C2426086
PADEL_KR444	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR444	C1COCCN1	C110918
PADEL_KR444	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR444	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR444	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR444	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR444	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR444	O=C(C)OCCOC(=O)C	C111557
PADEL_KR444	O=C(C)OCCOCCCC	C112072
PADEL_KR444	OCCOCCOCCOC	C112356
PADEL_KR444	OCCOCCOCCOCCO	C112607
PADEL_KR444	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR444	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR444	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR444	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR444	OCCOCCC	C2807309
PADEL_KR444	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR444	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR444	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR444	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR444	OCC1OCCC1	C97994
PADEL_KR444	CN1CCOCC1	C109024
PADEL_KR444	OC(C)COCCC	C1569013
PADEL_KR444	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR444	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR444	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR444	OC(OCCCC)CC	C29387868
PADEL_KR444	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR444	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR444	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR444	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR444	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR444	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR444	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR444	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR444	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR444	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR444	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR444	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR444	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR444	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR444	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR444	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR444	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR444	O1C=CCCC1	C110872
PADEL_KR444	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR444	NCCCN1CCOCC1	C123002
PADEL_KR444	O=C(CCC)OCCCCC	C540181
PADEL_KR444	OCCOCC(CC)CCCC	C1559359
PADEL_KR444	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR444	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR444	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR444	OC(C)C(=O)OCCCC	C138227
PADEL_KR444	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR444	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR444	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR444	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR444	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR444	O=C(C)OCCCCCCCC	C112141
PADEL_KR444	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR444	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR444	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR444	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR444	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR444	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR444	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR444	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR444	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR444	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR444	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR444	OCCOCC(C)OCCO	C9003116
PADEL_KR444	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR444	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR444	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR444	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR444	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR444	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR444	c1ccccc1OCCO	C122996
PADEL_KR444	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR444	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR444	OCCOC	C109864
PADEL_KR444	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR444	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR444	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR444	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR444	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR444	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR444	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR444	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR444	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR444	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR444	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR444	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR444	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR444	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR444	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR444	ClCCOCCCl	C111444
PADEL_KR444	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR444	O=C1CCCO1	C96480
PADEL_KR444	OCCOCCO	C111466
PADEL_KR444	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR444	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR444	O=S1(=O)CCCO1	C1120714
PADEL_KR444	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR444	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR444	OCCOCCOCCO	C112276
PADEL_KR444	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR444	CCCCOCCOCCO	C112345
PADEL_KR444	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR444	CC(=O)OCCOCC	C111159
PADEL_KR444	CCOCCOCCO	C111900
PADEL_KR444	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR444	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR444	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR444	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR444	CCOCCO	C110805
PADEL_KR444	CCCCOCCO	C111762
PADEL_KR444	OCCOCCOCCOCC	C112505
PADEL_KR444	O(CCOC)CCOC	C111966
PADEL_KR444	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR444	O(CCOC)CCO	C111773
PADEL_KR444	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR444	C(CC(C)C)OC(=O)C	C123922
PADEL_KR444	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR444	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR444	C(OCCOC)COCCOC	C112492
PADEL_KR444	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR444	OCCOCCCCCC	C112254
PADEL_KR444	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR444	O=C(C)OCCCCC	C628637
PADEL_KR444	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR444	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR444	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR444	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR444	OC(OCCCOC)CC	C34590948
PADEL_KR444	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR444	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR444	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR444	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR444	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR444	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR444	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR444	O=C(CCC)OCCC(C)C	C106274
PADEL_KR444	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR444	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR444	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR444	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR444	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR444	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR444	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR444	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR444	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR444	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR444	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR444	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR444	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR444	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR444	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR444	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR444	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR444	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR444	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR444	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR444	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR444	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR444	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR444	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR444	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR444	NCCOCCOCCN	C929599
PADEL_KR444	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR444	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR444	CC(=O)OCCCC	C123864
PADEL_KR444	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR444	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR444	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR444	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR444	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR444	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR444	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR444	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR444	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR444	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR444	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR444	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR444	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR444	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR444	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR444	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR444	O=C(OCCCCO)C=C	C2478106
PADEL_KR444	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR444	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR444	NCCCOCCCCCCCC	C15930662
PADEL_KR444	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR444	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR444	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR444	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR444	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR444	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR447	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR447	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR447	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR447	C=CC(=O)OCCO	C818611
PADEL_KR447	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR447	O=C(OCCCC)C=C	C141322
PADEL_KR447	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR447	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR447	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR447	O=C(C)OCCOC(=O)C	C111557
PADEL_KR447	O=C(C)OCCOCCCC	C112072
PADEL_KR447	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR447	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR447	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR447	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR447	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR447	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR447	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR447	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR447	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR447	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR447	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR447	O=C(CCC)OCCCCC	C540181
PADEL_KR447	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR447	OC(C)C(=O)OCCCC	C138227
PADEL_KR447	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR447	O=C(C)OCCCCCCCC	C112141
PADEL_KR447	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR447	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR447	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR447	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR447	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR447	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR447	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR447	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR447	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR447	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR447	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR447	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR447	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR447	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR447	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR447	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR447	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR447	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR447	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR447	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR447	CC(=O)OCCOCC	C111159
PADEL_KR447	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR447	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR447	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR447	C(CC(C)C)OC(=O)C	C123922
PADEL_KR447	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR447	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR447	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR447	O=C(C)OCCCCC	C628637
PADEL_KR447	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR447	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR447	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR447	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR447	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR447	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR447	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR447	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR447	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR447	O=C(CCC)OCCC(C)C	C106274
PADEL_KR447	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR447	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR447	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR447	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR447	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR447	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR447	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR447	CC(=O)OCCCC	C123864
PADEL_KR447	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR447	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR447	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR447	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR447	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR447	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR447	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR447	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR447	O=C(OCCCCO)C=C	C2478106
PADEL_KR447	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR447	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR447	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR447	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR449	O=C(C)OCCOC(=O)C	C111557
PADEL_KR449	O=C(C)OCCOCCCC	C112072
PADEL_KR449	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR449	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR449	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR449	O=C(C)OCCCCCCCC	C112141
PADEL_KR449	CC(=O)OCCOCC	C111159
PADEL_KR449	C(CC(C)C)OC(=O)C	C123922
PADEL_KR449	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR449	O=C(C)OCCCCC	C628637
PADEL_KR449	CC(=O)OCCCC	C123864
PADEL_KR449	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR449	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR449	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR453	O=S1(=O)CCCO1	C1120714
PADEL_KR453	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR453	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR453	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR456	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR457	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR457	O=S1(=O)CCCO1	C1120714
PADEL_KR457	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR457	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR457	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR457	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR458	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR458	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR458	OCCSCCCCCCCC	C3547339
PADEL_KR458	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR458	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR458	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR458	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR458	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR458	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR458	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR458	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR458	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR458	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR458	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR458	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR458	O=S1(=O)CCCO1	C1120714
PADEL_KR458	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR458	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR458	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR458	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR458	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR458	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR458	O=CCCSC	C3268493
PADEL_KR458	N#CSCCCCCCCCCCCC	C765151
PADEL_KR458	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR458	S=C=NCCCSC	C505793
PADEL_KR458	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR459	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR459	OCCSCCCCCCCC	C3547339
PADEL_KR459	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR459	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR459	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR459	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR460	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR460	OCCSCCCCCCCC	C3547339
PADEL_KR460	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR462	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR466	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR466	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR466	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR466	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR466	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR466	S=C(NCC)NCC	C105555
PADEL_KR466	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR466	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR466	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR466	O=[N+](CC)[O-]	C79243
PADEL_KR466	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR466	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR466	OCCOCCOCCOCCCC	C143226
PADEL_KR466	CCCCCCCCCC=O	C112312
PADEL_KR466	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR466	O=CCCCCCC	C111717
PADEL_KR466	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR466	CCCCCCCCC=O	C124196
PADEL_KR466	OC(=O)CCCC	C109524
PADEL_KR466	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR466	OCCC	C71238
PADEL_KR466	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR466	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR466	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR466	Nc1ccc(CCCC)cc1	C104132
PADEL_KR466	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR466	CCCC(=O)C	C107879
PADEL_KR466	CCCCCC(=O)C	C110430
PADEL_KR466	CCNCCO	C110736
PADEL_KR466	CCCCCCO	C111273
PADEL_KR466	CCCCCCCO	C111706
PADEL_KR466	CCCCCCCCCC(=O)C	C112129
PADEL_KR466	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR466	Oc1ccc(CC)cc1	C123079
PADEL_KR466	CCCCCC(=O)OCC	C123660
PADEL_KR466	CCCCCCCCCCCCN	C124221
PADEL_KR466	CCCCCCCCCO	C143088
PADEL_KR466	Oc1ccc(CCC)cc1	C645567
PADEL_KR466	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR466	CC/C=C\CCO	C928961
PADEL_KR466	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR466	CCCCCCCCCCN	C2016571
PADEL_KR466	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR466	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR466	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR466	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR466	c1(c(CC)cccc1)O	C90006
PADEL_KR466	c1c(O)cccc1CC	C620177
PADEL_KR466	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR466	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR466	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR466	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR466	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR466	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR466	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR466	ON=CCCC	C110690
PADEL_KR466	O=C(OCCCC)C=C	C141322
PADEL_KR466	C(OCCCC)C1CO1	C2426086
PADEL_KR466	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR466	C(CCCCCC)CCCCCS	C112550
PADEL_KR466	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR466	C(CC)(C=O)CCCC	C123057
PADEL_KR466	OCC(C(O)CCC)CC	C94962
PADEL_KR466	CCC(=CCCC)C=O	C645625
PADEL_KR466	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR466	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR466	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR466	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR466	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR466	C(CCCCCCC)C	C111842
PADEL_KR466	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR466	O(c1ccc(N)cc1)CC	C156434
PADEL_KR466	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR466	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR466	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR466	O=P(OCC)(OCC)OCC	C78400
PADEL_KR466	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR466	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR466	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR466	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR466	O=C(OC)CCCCCCCCC	C110429
PADEL_KR466	O=C(C)OCCOCCCC	C112072
PADEL_KR466	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR466	OC(CCCCCC)C	C123966
PADEL_KR466	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR466	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR466	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR466	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR466	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR466	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR466	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR466	OCCOCCC	C2807309
PADEL_KR466	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR466	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR466	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR466	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR466	Nc1c(C)cccc1CC	C24549062
PADEL_KR466	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR466	SC(C)(C)CCCCCC	C25360105
PADEL_KR466	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR466	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR466	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR466	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR466	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR466	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR466	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR466	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR466	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR466	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR466	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR466	OC(C)COCCC	C1569013
PADEL_KR466	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR466	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR466	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR466	OCC(CCC)CCCCC	C10042598
PADEL_KR466	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR466	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR466	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR466	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR466	OC(OCCCC)CC	C29387868
PADEL_KR466	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR466	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR466	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR466	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR466	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR466	OCCSCCCCCCCC	C3547339
PADEL_KR466	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR466	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR466	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR466	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR466	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR466	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR466	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR466	O=C1OC(CCCCC)CC1	C104610
PADEL_KR466	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR466	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR466	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR466	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR466	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR466	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR466	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR466	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR466	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR466	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR466	OC(CCCCC)C=C	C3391864
PADEL_KR466	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR466	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR466	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR466	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR466	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR466	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR466	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR466	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR466	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR466	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR466	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR466	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR466	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR466	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR466	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR466	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR466	O=C(CC)OCC	C105373
PADEL_KR466	O=C1OCC(CC)O1	C4437858
PADEL_KR466	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR466	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR466	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR466	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR466	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR466	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR466	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR466	CC(O)COCC	C1569024
PADEL_KR466	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR466	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR466	O=C1CCC(O1)CC	C695067
PADEL_KR466	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR466	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR466	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR466	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR466	O=C/C=C/CCC	C6728263
PADEL_KR466	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR466	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR466	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR466	CCC(c1ccccc1)CCC	C4468422
PADEL_KR466	O=CCC/C=C\CCCCC	C21662099
PADEL_KR466	O=c1ccoc(CC)c1O	C4940118
PADEL_KR466	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR466	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR466	O=C(CCC)OCCCCC	C540181
PADEL_KR466	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR466	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR466	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR466	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR466	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR466	OP(OCC)OCC	C762049
PADEL_KR466	OCCOCC(CC)CCCC	C1559359
PADEL_KR466	O=C(CC)CCCCC	C106683
PADEL_KR466	OCCN(CC)CCO	C139877
PADEL_KR466	CCOC(OCC)OCC	C122510
PADEL_KR466	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR466	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR466	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR466	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR466	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR466	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR466	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR466	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR466	OC(C)C(=O)OCCCC	C138227
PADEL_KR466	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR466	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR466	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR466	Oc1c(OCC)cccc1	C94713
PADEL_KR466	COc1ccc(CCC)cc1	C104450
PADEL_KR466	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR466	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR466	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR466	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR466	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR466	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR466	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR466	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR466	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR466	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR466	O=C(C)OCCCCCCCC	C112141
PADEL_KR466	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR466	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR466	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR466	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR466	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR466	OCC(CCCC)CCCCCC	C3913028
PADEL_KR466	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR466	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR466	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR466	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR466	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR466	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR466	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR466	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR466	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR466	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR466	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR466	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR466	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR466	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR466	O=C1OC(CCC)CC1	C105215
PADEL_KR466	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR466	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR466	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR466	Nc1ccc(CCC)cc1	C2696846
PADEL_KR466	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR466	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR466	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR466	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR466	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR466	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR466	O=C1CCC(CCC)CC1	C40649363
PADEL_KR466	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR466	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR466	OC1CCC(CCCC)CC1	C70568604
PADEL_KR466	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR466	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR466	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR466	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR466	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR466	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR466	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR466	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR466	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR466	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR466	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR466	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR466	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR466	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR466	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR466	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR466	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR466	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR466	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR466	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR466	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR466	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR466	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR466	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR466	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR466	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR466	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR466	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR466	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR466	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR466	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR466	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR466	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR466	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR466	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR466	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR466	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR466	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR466	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR466	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR466	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR466	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR466	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR466	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR466	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR466	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR466	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR466	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR466	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR466	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR466	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR466	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR466	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR466	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR466	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR466	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR466	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR466	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR466	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR466	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR466	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR466	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR466	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR466	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR466	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR466	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR466	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR466	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR466	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR466	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR466	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR466	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR466	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR466	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR466	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR466	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR466	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR466	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR466	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR466	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR466	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR466	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR466	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR466	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR466	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR466	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR466	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR466	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR466	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR466	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR466	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR466	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR466	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR466	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR466	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR466	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR466	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR466	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR466	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR466	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR466	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR466	CCC(CCCC)CO	C104767
PADEL_KR466	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR466	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR466	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR466	O=NN(CCCC)CCCC	C924163
PADEL_KR466	CCN(CC)N=O	C55185
PADEL_KR466	O=NN(CCC)CCC	C621647
PADEL_KR466	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR466	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR466	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR466	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR466	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR466	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR466	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR466	NC(=O)OCC	C51796
PADEL_KR466	OC(=O)CCC	C107926
PADEL_KR466	CCCCOCCOCCO	C112345
PADEL_KR466	CCCCCCCCCC(=O)O	C334485
PADEL_KR466	O=C(O)CCCCCC	C111148
PADEL_KR466	CCCCCC(=O)O	C142621
PADEL_KR466	CCCCCCCCC(=O)O	C112050
PADEL_KR466	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR466	CCCCCCCC=O	C124130
PADEL_KR466	CCCCCCCC(=O)O	C124072
PADEL_KR466	CCCCC=O	C110623
PADEL_KR466	CCCCCCCCCCC	C1120214
PADEL_KR466	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR466	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR466	CCN(CC)c1ccccc1	C91667
PADEL_KR466	CCC(=NO)C	C96297
PADEL_KR466	CCN(CCO)CC	C100378
PADEL_KR466	CCNc1cc(C)ccc1	C102272
PADEL_KR466	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR466	CC(=O)OCCOCC	C111159
PADEL_KR466	CCCCCCCCO	C111875
PADEL_KR466	CCOCCOCCO	C111900
PADEL_KR466	CCCCCCCCCCO	C112301
PADEL_KR466	CCCCCCCCCCCCCO	C112709
PADEL_KR466	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR466	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR466	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR466	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR466	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR466	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR466	c1(CCCC)ccccc1	C104518
PADEL_KR466	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR466	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR466	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR466	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR466	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR466	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR466	O=S(=O)(OCC)OCC	C64675
PADEL_KR466	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR466	CCOCCO	C110805
PADEL_KR466	CCCCOCCO	C111762
PADEL_KR466	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR466	OCCOCCOCCOCC	C112505
PADEL_KR466	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR466	C(CCCCCCCC)C	C124185
PADEL_KR466	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR466	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR466	N(c1ccccc1)CC	C103695
PADEL_KR466	O=C(O)C(CCCC)CC	C149575
PADEL_KR466	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR466	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR466	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR466	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR466	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR466	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR466	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR466	O=C(OC)CCCCCCC	C111115
PADEL_KR466	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR466	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR466	OCCOCCCCCC	C112254
PADEL_KR466	OCCCCCCCCCCC	C112425
PADEL_KR466	OCCCCCCCCCCCC	C112538
PADEL_KR466	OCCCCCCCCCCCCCC	C112721
PADEL_KR466	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR466	CCCCCCCCCCCCCCCC	C544763
PADEL_KR466	Nc1c(CC)cccc1CC	C579668
PADEL_KR466	O=C(C)OCCCCC	C628637
PADEL_KR466	CCCCCCCCCCCCCCC	C629629
PADEL_KR466	OCCCCCCCCCCCCCCC	C629765
PADEL_KR466	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR466	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR466	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR466	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR466	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR466	OC(OC(O)CC)CC	C25265718
PADEL_KR466	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR466	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR466	OC(OCCCOC)CC	C34590948
PADEL_KR466	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR466	CCC12N(COC1)COC2	C7747355
PADEL_KR466	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR466	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR466	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR466	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR466	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR466	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR466	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR466	CCCCCCCCN(C)C	C7378996
PADEL_KR466	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR466	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR466	O=C(CCC)OCC	C105544
PADEL_KR466	O=C(OCC)CCCCCC	C106309
PADEL_KR466	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR466	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR466	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR466	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR466	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR466	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR466	O=C(CCC)OCCC(C)C	C106274
PADEL_KR466	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR466	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR466	CCCc1ccccc1	C103651
PADEL_KR466	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR466	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR466	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR466	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR466	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR466	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR466	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR466	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR466	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR466	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR466	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR466	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR466	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR466	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR466	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR466	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR466	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR466	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR466	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR466	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR466	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR466	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR466	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR466	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR466	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR466	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR466	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR466	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR466	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR466	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR466	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR466	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR466	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR466	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR466	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR466	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR466	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR466	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR466	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR466	C=CCCCCCCCCCCCC	C1120361
PADEL_KR466	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR466	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR466	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR466	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR466	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR466	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR466	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR466	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR466	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR466	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR466	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR466	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR466	S=C(NCCCC)NCCCC	C109466
PADEL_KR466	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR466	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR466	O=COCC	C109944
PADEL_KR466	O=C(OCC)c1ccccc1	C93890
PADEL_KR466	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR466	CCN(CC)CC	C121448
PADEL_KR466	CC(=O)OCC	C141786
PADEL_KR466	CC(=O)OCCCC	C123864
PADEL_KR466	CCCCCC=O	C66251
PADEL_KR466	CCCC=O	C123728
PADEL_KR466	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR466	CCC1CO1	C106887
PADEL_KR466	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR466	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR466	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR466	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR466	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR466	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR466	O=CC=CC=CCCCCC	C25152845
PADEL_KR466	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR466	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR466	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR466	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR466	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR466	ClC(=O)C(CC)CCCC	C760678
PADEL_KR466	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR466	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR466	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR466	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR466	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR466	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR466	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR466	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR466	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR466	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR466	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR466	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR466	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR466	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR466	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR466	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR466	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR466	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR466	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR466	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR466	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR466	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR466	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR466	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR466	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR466	N#CSCCCCCCCCCCCC	C765151
PADEL_KR466	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR466	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR466	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR466	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR466	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR466	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR466	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR466	BrCCCCCCCCCCCC	C143157
PADEL_KR466	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR466	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR466	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR466	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR466	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR466	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR466	NCCCOCCCCCCCC	C15930662
PADEL_KR466	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR466	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR466	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR466	O=C/C=C/CCCCCCC	C3913813
PADEL_KR466	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR466	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR466	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR466	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR466	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR466	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR466	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR466	CCCCCCCCCC(C)C=O	C110418
PADEL_KR466	CCCCCc1ccco1	C3777693
PADEL_KR466	CCC(=O)C(=O)CC	C4437518
PADEL_KR466	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR467	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR467	CC(CNCC(C)O)O	C110974
PADEL_KR467	S=C(NCC)NCC	C105555
PADEL_KR467	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR467	OCCN1CCNCC1	C103764
PADEL_KR467	CCNCCO	C110736
PADEL_KR467	NCCN1CCNCC1	C140318
PADEL_KR467	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR467	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR467	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR467	N(CCN)CCN	C111400
PADEL_KR467	OCNC(=O)NCO	C140954
PADEL_KR467	C1COCCN1	C110918
PADEL_KR467	N1CCCCCC1	C111499
PADEL_KR467	O=C1NCCC1	C616455
PADEL_KR467	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR467	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR467	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR467	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR467	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR467	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR467	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR467	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR467	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR467	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR467	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR467	S=C1NCCN1	C96457
PADEL_KR467	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR467	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR467	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR467	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR467	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR467	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR467	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR467	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR467	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR467	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR467	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR467	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR467	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR467	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR467	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR467	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR467	O=C1CCCCCN1	C105602
PADEL_KR467	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR467	C1CNCCN1	C110850
PADEL_KR467	CCNc1cc(C)ccc1	C102272
PADEL_KR467	OCCNCCO	C111422
PADEL_KR467	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR467	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR467	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR467	N(c1ccccc1)CC	C103695
PADEL_KR467	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR467	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR467	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR467	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR467	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR467	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR467	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR467	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR467	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR467	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR467	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR467	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR467	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR467	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR467	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR467	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR467	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR467	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR467	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR467	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR467	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR467	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR467	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR467	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR467	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR467	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR467	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR467	S=C(NCCCC)NCCCC	C109466
PADEL_KR467	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR467	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR467	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR467	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR467	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR467	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR467	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR467	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR470	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR470	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR476	CC(CNCC(C)O)O	C110974
PADEL_KR476	OCCN1CCNCC1	C103764
PADEL_KR476	CCNCCO	C110736
PADEL_KR476	NCCN1CCNCC1	C140318
PADEL_KR476	N(CCN)CCN	C111400
PADEL_KR476	C1COCCN1	C110918
PADEL_KR476	N1CCCCCC1	C111499
PADEL_KR476	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR476	C1CNCCN1	C110850
PADEL_KR476	OCCNCCO	C111422
PADEL_KR476	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR476	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR477	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR480	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR480	OCNC(=O)NCO	C140954
PADEL_KR480	O=C1NCCC1	C616455
PADEL_KR480	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR480	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR480	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR480	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR480	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR480	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR480	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR480	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR480	O=C1CCCCCN1	C105602
PADEL_KR480	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR480	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR480	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR480	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR480	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR480	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR480	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR480	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR483	O=C1CCCCCN1	C105602
PADEL_KR483	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR487	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR488	OCNC(=O)NCO	C140954
PADEL_KR488	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR488	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR490	S=C(NCC)NCC	C105555
PADEL_KR490	S=C(NCCCC)NCCCC	C109466
PADEL_KR492	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR492	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR492	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR492	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR492	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR492	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR493	OC(C)CN	C78966
PADEL_KR493	CCCCCCCCCCCCN	C124221
PADEL_KR493	NCCN1CCNCC1	C140318
PADEL_KR493	CCCCCCCCCCN	C2016571
PADEL_KR493	C(CCN)CCCN	C124094
PADEL_KR493	N(CCN)CCN	C111400
PADEL_KR493	N(CCCN)(C)C	C109557
PADEL_KR493	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR493	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR493	NCCCN1CCOCC1	C123002
PADEL_KR493	NCCN.I.I	C5700492
PADEL_KR493	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR493	OCCN	C141435
PADEL_KR493	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR493	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR493	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR493	NCCOCCOCCN	C929599
PADEL_KR493	NCc1cccc(CN)c1	C1477550
PADEL_KR493	NCCN	C107153
PADEL_KR493	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR493	NCCCOCCCCCCCC	C15930662
PADEL_KR493	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR494	C=CCO	C107186
PADEL_KR494	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR494	CN(CCO)C	C108010
PADEL_KR494	OC(CO)CCl	C96242
PADEL_KR494	OCCOCCOCCOCCCC	C143226
PADEL_KR494	OCCC	C71238
PADEL_KR494	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR494	OCCN1CCNCC1	C103764
PADEL_KR494	C(O)C#CCO	C110656
PADEL_KR494	CCNCCO	C110736
PADEL_KR494	CCCCCCO	C111273
PADEL_KR494	CCCCCCCO	C111706
PADEL_KR494	CCCCCCCCCO	C143088
PADEL_KR494	C=CC(=O)OCCO	C818611
PADEL_KR494	CC/C=C\CCO	C928961
PADEL_KR494	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR494	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR494	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR494	NC(CO)(CO)CO	C77861
PADEL_KR494	OCCCCO	C110634
PADEL_KR494	OCNC(=O)NCO	C140954
PADEL_KR494	OCC(C(O)CCC)CC	C94962
PADEL_KR494	c1c(CO)occ1	C98000
PADEL_KR494	C(=O)(O)CO	C79141
PADEL_KR494	OCCc1ccccc1	C60128
PADEL_KR494	OCCOCCOCCOC	C112356
PADEL_KR494	OCCOCCOCCOCCO	C112607
PADEL_KR494	OCC(CO)(CO)CO	C115775
PADEL_KR494	OCC(N)(C)C	C124685
PADEL_KR494	OCC(C)(C)CO	C126307
PADEL_KR494	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR494	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR494	OCCOCCC	C2807309
PADEL_KR494	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR494	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR494	CC(CO)O	C25322694
PADEL_KR494	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR494	OCC1OCCC1	C97994
PADEL_KR494	OCC(CCC)CCCCC	C10042598
PADEL_KR494	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR494	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR494	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR494	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR494	OCn1nc(C)cc1C	C85264331
PADEL_KR494	OCCSCCCCCCCC	C3547339
PADEL_KR494	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR494	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR494	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR494	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR494	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR494	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR494	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR494	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR494	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR494	OCC=Cc1ccccc1	C104541
PADEL_KR494	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR494	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR494	OCCOCC(CC)CCCC	C1559359
PADEL_KR494	OCCN(CC)CCO	C139877
PADEL_KR494	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR494	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR494	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR494	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR494	OC(CO)c1ccccc1	C93561
PADEL_KR494	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR494	OCC(CCCC)CCCCCC	C3913028
PADEL_KR494	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR494	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR494	OCCOCC(C)OCCO	C9003116
PADEL_KR494	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR494	c1ccccc1OCCO	C122996
PADEL_KR494	OCCOC	C109864
PADEL_KR494	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR494	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR494	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR494	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR494	OCc1ccccc1	C100516
PADEL_KR494	OCC(CO)(CBr)CBr	C3296900
PADEL_KR494	OCCOCCO	C111466
PADEL_KR494	C(CO)O	C107211
PADEL_KR494	CCC(CCCC)CO	C104767
PADEL_KR494	OCC(O)CO	C56815
PADEL_KR494	OCC1CO1	C556525
PADEL_KR494	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR494	CC(CO)O	C57556
PADEL_KR494	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR494	OCCN(CCO)CCO	C102716
PADEL_KR494	OCCOCCOCCO	C112276
PADEL_KR494	CCCCOCCOCCO	C112345
PADEL_KR494	CCN(CCO)CC	C100378
PADEL_KR494	ClCCO	C107073
PADEL_KR494	OCCNCCO	C111422
PADEL_KR494	CCCCCCCCO	C111875
PADEL_KR494	CCOCCOCCO	C111900
PADEL_KR494	CCCCCCCCCCO	C112301
PADEL_KR494	CCCCCCCCCCCCCO	C112709
PADEL_KR494	OCCN	C141435
PADEL_KR494	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR494	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR494	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR494	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR494	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR494	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR494	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR494	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR494	CCOCCO	C110805
PADEL_KR494	CCCCOCCO	C111762
PADEL_KR494	OCCOCCOCCOCC	C112505
PADEL_KR494	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR494	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR494	O(CCOC)CCO	C111773
PADEL_KR494	OCCC(C)CCC=C(C)C	C106229
PADEL_KR494	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR494	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR494	OCCC(O)C	C107880
PADEL_KR494	OCCOCCCCCC	C112254
PADEL_KR494	OCCCCCCCCCCC	C112425
PADEL_KR494	OCCCCCCCCCCCC	C112538
PADEL_KR494	OCCCCCCCCCCCCCC	C112721
PADEL_KR494	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR494	OCCCCCCCCCCCCCCC	C629765
PADEL_KR494	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR494	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR494	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR494	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR494	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR494	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR494	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR494	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR494	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR494	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR494	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR494	OCCCBr	C627189
PADEL_KR494	C(CO)C(C)C	C123513
PADEL_KR494	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR494	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR494	OCCC(OC)C	C2517433
PADEL_KR494	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR494	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR494	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR494	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR494	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR494	OCC=C(C)C	C556821
PADEL_KR494	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR494	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR494	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR494	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR494	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR494	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR494	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR494	O=C(OCCCCO)C=C	C2478106
PADEL_KR494	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR494	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR495	BrCCBr	C106934
PADEL_KR495	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR495	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR495	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR495	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR495	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR495	OCC(CO)(CBr)CBr	C3296900
PADEL_KR495	OCCCBr	C627189
PADEL_KR495	BrCCCCCCCCCCCC	C143157
PADEL_KR496	C(O)C#CCO	C110656
PADEL_KR496	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR496	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR497	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR497	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR497	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR497	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR497	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR497	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR498	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR499	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR503	ON=C1CCCCC1	C100641
PADEL_KR503	CCC(=NO)C	C96297
PADEL_KR504	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR504	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR504	O=C1CCCCC1	C108941
PADEL_KR504	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR504	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR504	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR504	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR504	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR504	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR504	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR504	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR504	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR504	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR504	OC(=O)CCCC	C109524
PADEL_KR504	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR504	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR504	CCCC(=O)C	C107879
PADEL_KR504	CCCCCC(=O)C	C110430
PADEL_KR504	CCCCCCCCCC(=O)C	C112129
PADEL_KR504	CCCCCC(=O)OCC	C123660
PADEL_KR504	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR504	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR504	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR504	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR504	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR504	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR504	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR504	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR504	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR504	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR504	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR504	C(=O)(O)CCC(=O)O	C110156
PADEL_KR504	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR504	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR504	[Na+].[O-]C(=O)CF	C62748
PADEL_KR504	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR504	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR504	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR504	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR504	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR504	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR504	C(=O)(O)CO	C79141
PADEL_KR504	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR504	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR504	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR504	O=C(O)CS	C68111
PADEL_KR504	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR504	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR504	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR504	O=C(OC)CCCCCCCCC	C110429
PADEL_KR504	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR504	O=C1NCCC1	C616455
PADEL_KR504	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR504	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR504	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR504	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR504	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR504	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR504	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR504	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR504	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR504	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR504	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR504	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR504	O=C1CCCC1	C120923
PADEL_KR504	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR504	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR504	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR504	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR504	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR504	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR504	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR504	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR504	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR504	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR504	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR504	O=C1OC(CCCCC)CC1	C104610
PADEL_KR504	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR504	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR504	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR504	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR504	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR504	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR504	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR504	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR504	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR504	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR504	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR504	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR504	O=C(CC)OCC	C105373
PADEL_KR504	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR504	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR504	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR504	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR504	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR504	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR504	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR504	O=C1CCC(O1)CC	C695067
PADEL_KR504	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR504	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR504	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR504	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR504	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR504	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR504	O=C(CCC)OCCCCC	C540181
PADEL_KR504	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR504	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR504	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR504	O=C(CC)CCCCC	C106683
PADEL_KR504	O=C(CF)O	C144490
PADEL_KR504	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR504	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR504	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR504	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR504	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR504	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR504	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR504	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR504	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR504	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR504	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR504	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR504	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR504	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR504	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR504	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR504	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR504	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR504	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR504	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR504	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR504	O=C1OC(CCC)CC1	C105215
PADEL_KR504	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR504	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR504	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR504	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR504	O=C1CCC(CCC)CC1	C40649363
PADEL_KR504	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR504	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR504	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR504	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR504	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR504	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR504	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR504	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR504	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR504	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR504	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR504	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR504	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR504	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR504	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR504	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR504	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR504	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR504	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR504	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR504	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR504	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR504	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR504	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR504	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR504	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR504	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR504	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR504	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR504	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR504	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR504	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR504	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR504	O=C1CCCO1	C96480
PADEL_KR504	O=C1CCCCCN1	C105602
PADEL_KR504	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR504	O=C(c1ccccc1)CCl	C532274
PADEL_KR504	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR504	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR504	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR504	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR504	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR504	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR504	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR504	O=C1N(CCC1)C	C872504
PADEL_KR504	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR504	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR504	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR504	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR504	O=C1N(C=C)CCC1	C88120
PADEL_KR504	OC(=O)CCC	C107926
PADEL_KR504	CCCCCCCCCC(=O)O	C334485
PADEL_KR504	O=C(O)CCCCCC	C111148
PADEL_KR504	OC(=O)CCCCC(=O)O	C124049
PADEL_KR504	CCCCCC(=O)O	C142621
PADEL_KR504	CCCCCCCCC(=O)O	C112050
PADEL_KR504	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR504	CCCCCCCC(=O)O	C124072
PADEL_KR504	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR504	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR504	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR504	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR504	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR504	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR504	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR504	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR504	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR504	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR504	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR504	O=C(OC)CCCCCCC	C111115
PADEL_KR504	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR504	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR504	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR504	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR504	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR504	O=C(OC)CC(=O)OC	C108598
PADEL_KR504	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR504	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR504	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR504	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR504	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR504	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR504	O=C(CCC)OCC	C105544
PADEL_KR504	O=C(OCC)CCCCCC	C106309
PADEL_KR504	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR504	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR504	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR504	O=C(CCC)OCCC(C)C	C106274
PADEL_KR504	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR504	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR504	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR504	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR504	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR504	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR504	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR504	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR504	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR504	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR504	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR504	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR504	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR504	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR504	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR504	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR504	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR504	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR504	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR504	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR504	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR504	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR504	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR504	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR504	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR504	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR504	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR504	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR504	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR504	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR504	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR504	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR504	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR504	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR504	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR504	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR504	CC(=O)CCC(C)C	C110123
PADEL_KR504	CC(=O)CC(C)C	C108101
PADEL_KR504	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR504	CC1CC(=O)O1	C3068880
PADEL_KR504	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR504	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR504	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR504	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR504	O=C(CCl)CCl	C534076
PADEL_KR504	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR504	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR504	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR504	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR504	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR504	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR504	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR504	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR504	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR504	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR504	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR504	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR504	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR504	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR504	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR504	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR504	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR504	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR504	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR504	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR504	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR504	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR504	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR504	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR504	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR504	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR504	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR504	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR504	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR504	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR504	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR504	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR504	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR504	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR504	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR504	CCC(=O)C(=O)CC	C4437518
PADEL_KR505	CCCC(=O)C	C107879
PADEL_KR505	CCCCCC(=O)C	C110430
PADEL_KR505	CCCCCCCCCC(=O)C	C112129
PADEL_KR505	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR505	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR505	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR505	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR505	CC(=O)CCC(C)C	C110123
PADEL_KR505	CC(=O)CC(C)C	C108101
PADEL_KR505	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR505	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR505	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR506	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR506	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR506	O=C1NCCC1	C616455
PADEL_KR506	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR506	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR506	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR506	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR506	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR506	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR506	O=C1CCCCCN1	C105602
PADEL_KR506	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR506	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR506	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR506	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR506	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR506	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR506	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR506	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR506	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR519	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR547	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR547	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR547	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR548	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR548	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR548	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR548	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR548	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR548	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR548	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR548	OC(=O)CCCC	C109524
PADEL_KR548	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR548	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR548	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR548	C(=O)(O)CCC(=O)O	C110156
PADEL_KR548	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR548	C(=O)(O)CO	C79141
PADEL_KR548	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR548	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR548	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR548	O=C(O)CS	C68111
PADEL_KR548	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR548	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR548	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR548	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR548	O=C(CF)O	C144490
PADEL_KR548	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR548	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR548	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR548	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR548	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR548	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR548	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR548	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR548	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR548	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR548	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR548	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR548	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR548	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR548	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR548	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR548	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR548	OC(=O)CCC	C107926
PADEL_KR548	CCCCCCCCCC(=O)O	C334485
PADEL_KR548	O=C(O)CCCCCC	C111148
PADEL_KR548	OC(=O)CCCCC(=O)O	C124049
PADEL_KR548	CCCCCC(=O)O	C142621
PADEL_KR548	CCCCCCCCC(=O)O	C112050
PADEL_KR548	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR548	CCCCCCCC(=O)O	C124072
PADEL_KR548	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR548	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR548	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR548	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR548	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR548	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR548	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR548	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR548	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR548	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR548	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR548	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR548	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR548	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR548	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR548	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR548	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR548	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR548	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR548	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR548	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR548	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR548	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR548	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR548	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR548	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR548	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR549	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR550	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR550	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR550	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR550	O=C(c1ccccc1)CCl	C532274
PADEL_KR551	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR551	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR551	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR554	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR554	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR554	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR554	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR554	O=C1N(CCC1)C	C872504
PADEL_KR554	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR554	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR554	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR555	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR557	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR557	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR557	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR557	CCCCCC(=O)OCC	C123660
PADEL_KR557	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR557	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR557	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR557	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR557	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR557	O=C(OC)CCCCCCCCC	C110429
PADEL_KR557	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR557	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR557	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR557	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR557	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR557	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR557	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR557	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR557	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR557	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR557	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR557	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR557	O=C1OC(CCCCC)CC1	C104610
PADEL_KR557	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR557	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR557	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR557	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR557	O=C(CC)OCC	C105373
PADEL_KR557	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR557	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR557	O=C1CCC(O1)CC	C695067
PADEL_KR557	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR557	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR557	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR557	O=C(CCC)OCCCCC	C540181
PADEL_KR557	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR557	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR557	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR557	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR557	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR557	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR557	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR557	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR557	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR557	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR557	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR557	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR557	O=C1OC(CCC)CC1	C105215
PADEL_KR557	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR557	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR557	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR557	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR557	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR557	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR557	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR557	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR557	O=C1CCCO1	C96480
PADEL_KR557	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR557	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR557	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR557	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR557	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR557	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR557	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR557	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR557	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR557	O=C(OC)CCCCCCC	C111115
PADEL_KR557	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR557	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR557	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR557	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR557	O=C(OC)CC(=O)OC	C108598
PADEL_KR557	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR557	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR557	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR557	O=C(CCC)OCC	C105544
PADEL_KR557	O=C(OCC)CCCCCC	C106309
PADEL_KR557	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR557	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR557	O=C(CCC)OCCC(C)C	C106274
PADEL_KR557	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR557	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR557	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR557	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR557	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR557	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR557	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR557	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR557	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR557	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR557	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR557	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR557	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR557	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR557	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR557	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR557	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR557	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR558	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR558	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR558	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR558	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR558	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR560	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR560	CCCCCC(=O)OCC	C123660
PADEL_KR560	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR560	O=C(CC)OCC	C105373
PADEL_KR560	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR560	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR560	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR560	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR560	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR560	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR560	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR560	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR560	O=C(CCC)OCC	C105544
PADEL_KR560	O=C(OCC)CCCCCC	C106309
PADEL_KR560	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR560	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR560	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR560	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR562	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR562	O=C(OC)CCCCCCCCC	C110429
PADEL_KR562	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR562	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR562	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR562	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR562	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR562	O=C(OC)CCCCCCC	C111115
PADEL_KR562	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR562	O=C(OC)CC(=O)OC	C108598
PADEL_KR562	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR566	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR566	CC(=O)OCc1ccccc1	C140114
PADEL_KR566	O=CCc1ccccc1	C122781
PADEL_KR566	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR566	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR566	OCCc1ccccc1	C60128
PADEL_KR566	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR566	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR566	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR566	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR566	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR566	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR566	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR566	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR566	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR566	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR566	c1(Cc2ccccc2)ccccc1	C101815
PADEL_KR566	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR566	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR566	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR566	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR566	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR566	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR566	OCc1ccccc1	C100516
PADEL_KR566	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR566	c1(CCCC)ccccc1	C104518
PADEL_KR566	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR566	CCCc1ccccc1	C103651
PADEL_KR566	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR566	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR566	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR566	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR566	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR566	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR566	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR566	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR566	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR566	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR566	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR566	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR566	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR566	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR566	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR566	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR566	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR566	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR566	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR566	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR566	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR569	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR572	c1c(O)cccc1CC	C620177
PADEL_KR572	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR576	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR577	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR577	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR577	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR577	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR577	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR578	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR578	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR579	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR579	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR579	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR580	c1c(CO)occ1	C98000
PADEL_KR580	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR580	CCCCCc1ccco1	C3777693
PADEL_KR582	C=CCc1ccc(cc1)OC	C140670
PADEL_KR582	Nc1ccc(CCCC)cc1	C104132
PADEL_KR582	Oc1ccc(CC)cc1	C123079
PADEL_KR582	Oc1ccc(CCC)cc1	C645567
PADEL_KR582	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR582	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR582	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR582	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR582	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR582	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR582	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR582	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR582	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR582	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR582	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR582	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR582	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR582	COc1ccc(CCC)cc1	C104450
PADEL_KR582	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR582	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR582	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR582	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR582	Nc1ccc(CCC)cc1	C2696846
PADEL_KR582	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR582	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR582	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR582	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR582	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR582	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR582	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR582	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR582	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR582	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR582	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR582	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR582	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR582	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR582	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR582	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR582	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR582	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR582	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR582	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR582	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR582	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR582	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR582	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR582	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR582	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR582	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR582	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR582	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR582	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR582	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR582	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR582	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR582	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR582	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR582	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR582	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR582	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR582	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR582	O=COCc1ccc(OC)cc1	C122918
PADEL_KR588	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR588	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR588	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR588	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR588	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR588	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR588	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR588	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR588	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR588	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR588	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR590	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR590	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR592	C=CCc1ccc(cc1)OC	C140670
PADEL_KR592	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR592	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR592	COc1ccc(CCC)cc1	C104450
PADEL_KR592	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR592	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR592	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR592	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR592	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR592	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR592	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR592	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR592	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR592	O=COCc1ccc(OC)cc1	C122918
PADEL_KR593	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR596	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR596	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR596	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR599	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR599	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR599	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR604	O=CCCl	C107200
PADEL_KR604	ClCOC	C107302
PADEL_KR604	OC(CO)CCl	C96242
PADEL_KR604	ClCC(Cl)CCl	C96184
PADEL_KR604	C=CC(Cl)CCl	C760236
PADEL_KR604	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR604	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR604	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR604	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR604	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR604	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR604	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR604	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR604	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR604	ClCCP(=O)(O)O	C16672870
PADEL_KR604	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR604	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR604	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR604	ClCCOCCCl	C111444
PADEL_KR604	O=C(c1ccccc1)CCl	C532274
PADEL_KR604	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR604	ClCCO	C107073
PADEL_KR604	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR604	OC(CCl)CCl	C96231
PADEL_KR604	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR604	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR604	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR604	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR604	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR604	O=C(CCl)CCl	C534076
PADEL_KR604	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR604	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR604	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR605	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR605	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR605	O=NN1CCCC1	C930552
PADEL_KR605	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR605	OCCN1CCNCC1	C103764
PADEL_KR605	NCCN1CCNCC1	C140318
PADEL_KR605	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR605	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR605	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR605	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR605	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR605	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR605	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR605	CN1CCOCC1	C109024
PADEL_KR605	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR605	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR605	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR605	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR605	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR605	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR605	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR605	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR605	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR605	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR605	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR605	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR605	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR605	NCCCN1CCOCC1	C123002
PADEL_KR605	OCCN(CC)CCO	C139877
PADEL_KR605	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR605	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR605	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR605	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR605	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR605	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR605	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR605	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR605	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR605	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR605	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR605	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR605	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR605	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR605	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR605	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR605	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR605	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR605	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR605	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR605	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR605	CN1CN(C)CSC1=S	C533744
PADEL_KR605	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR605	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR605	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR605	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR605	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR605	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR605	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR605	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR605	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR605	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR605	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR605	O=NN(CCCC)CCCC	C924163
PADEL_KR605	CCN(CC)N=O	C55185
PADEL_KR605	O=NN(CCC)CCC	C621647
PADEL_KR605	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR605	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR605	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR605	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR605	OCCN(CCO)CCO	C102716
PADEL_KR605	CCN(CC)c1ccccc1	C91667
PADEL_KR605	CCN(CCO)CC	C100378
PADEL_KR605	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR605	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR605	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR605	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR605	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR605	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR605	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR605	CCC12N(COC1)COC2	C7747355
PADEL_KR605	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR605	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR605	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR605	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR605	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR605	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR605	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR605	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR605	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR605	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR605	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR605	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR605	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR605	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR605	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR605	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR605	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR605	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR605	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR605	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR605	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR605	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR605	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR605	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR605	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR605	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR605	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR605	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR605	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR605	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR605	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR605	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR605	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR605	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR605	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR605	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR605	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR605	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR605	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR605	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR605	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR605	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR605	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR605	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR605	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR605	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR605	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR605	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR605	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR605	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR605	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR605	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR605	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR605	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR605	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR605	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR605	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR605	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR605	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR605	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR605	CCN(CC)CC	C121448
PADEL_KR605	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR605	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR605	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR605	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR605	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR605	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR605	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR605	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR605	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR605	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR605	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR605	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR605	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR605	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR605	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR605	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR605	O=CN1CCCCC1	C2591868
PADEL_KR605	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR605	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR605	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR605	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR605	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR605	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR605	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR605	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR605	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR605	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR606	OCCN1CCNCC1	C103764
PADEL_KR606	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR606	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR606	OCCN(CC)CCO	C139877
PADEL_KR606	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR606	OCCN(CCO)CCO	C102716
PADEL_KR606	CCN(CCO)CC	C100378
PADEL_KR606	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR606	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR606	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR606	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR606	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR607	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR607	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR607	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR607	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR607	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR607	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR607	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR607	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR607	OCCN(CC)CCO	C139877
PADEL_KR607	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR607	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR607	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR607	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR607	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR607	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR607	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR607	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR607	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR607	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR607	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR607	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR607	CCN(CC)N=O	C55185
PADEL_KR607	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR607	CCN(CC)c1ccccc1	C91667
PADEL_KR607	CCN(CCO)CC	C100378
PADEL_KR607	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR607	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR607	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR607	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR607	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR607	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR607	CCN(CC)CC	C121448
PADEL_KR607	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR607	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR607	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR607	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR607	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR608	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR608	CN(CCO)C	C108010
PADEL_KR608	N(CCCN)(C)C	C109557
PADEL_KR608	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR608	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR608	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR608	CN1CCOCC1	C109024
PADEL_KR608	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR608	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR608	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR608	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR608	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR608	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR608	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR608	Oc1ccccc1CN(C)C	C120650
PADEL_KR608	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR608	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR608	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR608	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR608	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR608	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR608	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR608	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR608	CN1CN(C)CSC1=S	C533744
PADEL_KR608	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR608	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR608	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR608	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR608	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR608	O=C1N(CCC1)C	C872504
PADEL_KR608	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR608	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR608	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR608	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR608	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR608	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR608	CCCCCCCCN(C)C	C7378996
PADEL_KR608	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR608	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR608	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR608	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR608	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR608	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR608	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR608	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR608	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR608	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR608	N(CCN(C)C)(C)C	C110189
PADEL_KR608	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR608	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR608	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR608	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR608	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR608	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR608	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR608	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR608	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR608	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR608	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR608	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR608	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR608	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR608	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR610	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR610	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR610	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR610	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR610	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR610	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR610	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR610	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR610	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR610	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR610	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR610	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR610	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR610	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR610	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR610	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR610	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR610	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR610	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR610	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR610	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR610	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR610	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR610	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR610	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR610	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR610	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR610	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR610	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR610	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR610	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR610	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR610	O=C1N(CCC1)C	C872504
PADEL_KR610	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR610	O=C1N(C=C)CCC1	C88120
PADEL_KR610	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR610	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR610	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR610	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR610	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR610	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR610	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR610	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR610	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR610	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR610	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR610	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR610	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR610	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR610	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR610	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR610	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR610	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR610	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR610	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR610	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR610	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR610	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR610	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR610	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR610	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR610	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR610	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR610	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR610	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR610	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR610	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR610	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR610	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR610	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR610	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR610	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR610	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR610	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR610	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR610	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR610	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR610	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR610	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR612	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR612	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR613	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR613	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR618	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR618	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR618	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR618	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR620	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR620	OCCN1CCNCC1	C103764
PADEL_KR620	NCCN1CCNCC1	C140318
PADEL_KR620	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR620	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR620	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR620	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR620	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR620	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR620	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR620	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR620	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR620	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR620	NCCCN1CCOCC1	C123002
PADEL_KR620	OCCN(CC)CCO	C139877
PADEL_KR620	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR620	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR620	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR620	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR620	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR620	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR620	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR620	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR620	OCCN(CCO)CCO	C102716
PADEL_KR620	CCN(CCO)CC	C100378
PADEL_KR620	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR620	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR620	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR620	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR620	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR620	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR620	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR620	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR620	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR620	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR620	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR620	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR620	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR620	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR620	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR620	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR620	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR620	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR620	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR620	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR620	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR620	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR620	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR620	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR620	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR620	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR620	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR620	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR620	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR620	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR620	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR620	CCN(CC)CC	C121448
PADEL_KR620	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR620	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR620	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR620	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR620	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR620	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR620	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR621	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR621	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR621	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR621	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR621	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR621	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR621	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR621	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR621	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR621	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR621	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR621	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR621	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR621	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR621	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR621	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR621	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR621	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR621	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR621	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR621	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR621	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR621	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR621	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR621	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR621	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR621	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR621	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR621	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR621	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR621	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR621	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR621	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR621	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR622	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR623	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR626	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR626	OCCN(CC)CCO	C139877
PADEL_KR626	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR626	OCCN(CCO)CCO	C102716
PADEL_KR626	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR626	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR626	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR626	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR627	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR627	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR627	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR627	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR627	CCN(CCO)CC	C100378
PADEL_KR627	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR627	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR627	CCN(CC)CC	C121448
PADEL_KR628	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR629	CN(CCO)C	C108010
PADEL_KR629	N(CCCN)(C)C	C109557
PADEL_KR629	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR629	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR629	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR629	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR629	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR629	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR629	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR629	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR629	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR629	Oc1ccccc1CN(C)C	C120650
PADEL_KR629	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR629	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR629	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR629	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR629	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR629	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR629	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR629	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR629	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR629	CCCCCCCCN(C)C	C7378996
PADEL_KR629	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR629	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR629	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR629	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR629	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR629	N(CCN(C)C)(C)C	C110189
PADEL_KR629	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR629	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR629	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR629	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR629	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR629	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR629	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR629	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR629	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR629	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR629	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR629	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR630	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR630	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR630	O=C1N(CCC1)C	C872504
PADEL_KR630	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR630	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR636	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR638	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR638	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR638	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR638	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR638	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR639	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR639	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR644	NCCCN1CCOCC1	C123002
PADEL_KR644	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR645	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR645	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR647	CC(=O)OCc1ccccc1	C140114
PADEL_KR647	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR647	ClCOC	C107302
PADEL_KR647	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR647	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR647	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR647	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR647	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR647	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR647	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR647	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR647	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR647	OCCOCCOCCOCCCC	C143226
PADEL_KR647	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR647	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR647	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR647	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR647	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR647	CCCCCC(=O)OCC	C123660
PADEL_KR647	C=CC(=O)OCCO	C818611
PADEL_KR647	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR647	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR647	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR647	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR647	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR647	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR647	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR647	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR647	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR647	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR647	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR647	CC(O)COC	C107982
PADEL_KR647	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR647	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR647	O=C(OCCCC)C=C	C141322
PADEL_KR647	C(OCCCC)C1CO1	C2426086
PADEL_KR647	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR647	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR647	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR647	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR647	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR647	C1COCCN1	C110918
PADEL_KR647	O(c1ccc(N)cc1)CC	C156434
PADEL_KR647	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR647	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR647	O=P(OCC)(OCC)OCC	C78400
PADEL_KR647	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR647	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR647	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR647	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR647	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR647	O=C1OCC(C)O1	C108327
PADEL_KR647	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR647	O=C(C)OCCOC(=O)C	C111557
PADEL_KR647	O=C(C)OCCOCCCC	C112072
PADEL_KR647	OCCOCCOCCOC	C112356
PADEL_KR647	OCCOCCOCCOCCO	C112607
PADEL_KR647	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR647	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR647	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR647	OC(C)COc1ccccc1	C770354
PADEL_KR647	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR647	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR647	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR647	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR647	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR647	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR647	OCCOCCC	C2807309
PADEL_KR647	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR647	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR647	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR647	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR647	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR647	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR647	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR647	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR647	OCC1OCCC1	C97994
PADEL_KR647	CN1CCOCC1	C109024
PADEL_KR647	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR647	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR647	OC(C)COCCC	C1569013
PADEL_KR647	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR647	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR647	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR647	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR647	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR647	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR647	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR647	OC(OCCCC)CC	C29387868
PADEL_KR647	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR647	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR647	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR647	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR647	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR647	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR647	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR647	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR647	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR647	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR647	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR647	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR647	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR647	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR647	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR647	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR647	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR647	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR647	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR647	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR647	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR647	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR647	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR647	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR647	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR647	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR647	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR647	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR647	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR647	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR647	O=C(CC)OCC	C105373
PADEL_KR647	O=C1OCC(CC)O1	C4437858
PADEL_KR647	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR647	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR647	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR647	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR647	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR647	CC(O)COCC	C1569024
PADEL_KR647	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR647	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR647	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR647	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR647	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR647	O1C=CCCC1	C110872
PADEL_KR647	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR647	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR647	NCCCN1CCOCC1	C123002
PADEL_KR647	O=C(CCC)OCCCCC	C540181
PADEL_KR647	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR647	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR647	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR647	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR647	OP(OCC)OCC	C762049
PADEL_KR647	OCCOCC(CC)CCCC	C1559359
PADEL_KR647	CCOC(OCC)OCC	C122510
PADEL_KR647	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR647	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR647	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR647	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR647	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR647	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR647	OC(C)C(=O)OCCCC	C138227
PADEL_KR647	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR647	Oc1c(OCC)cccc1	C94713
PADEL_KR647	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR647	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR647	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR647	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR647	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR647	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR647	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR647	O=C(C)OCCCCCCCC	C112141
PADEL_KR647	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR647	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR647	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR647	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR647	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR647	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR647	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR647	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR647	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR647	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR647	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR647	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR647	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR647	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR647	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR647	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR647	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR647	OCCOCC(C)OCCO	C9003116
PADEL_KR647	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR647	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR647	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR647	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR647	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR647	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR647	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR647	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR647	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR647	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR647	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR647	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR647	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR647	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR647	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR647	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR647	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR647	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR647	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR647	c1ccccc1OCCO	C122996
PADEL_KR647	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR647	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR647	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR647	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR647	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR647	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR647	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR647	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR647	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR647	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR647	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR647	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR647	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR647	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR647	OCCOC	C109864
PADEL_KR647	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR647	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR647	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR647	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR647	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR647	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR647	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR647	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR647	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR647	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR647	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR647	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR647	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR647	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR647	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR647	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR647	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR647	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR647	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR647	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR647	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR647	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR647	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR647	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR647	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR647	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR647	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR647	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR647	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR647	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR647	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR647	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR647	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR647	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR647	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR647	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR647	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR647	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR647	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR647	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR647	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR647	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR647	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR647	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR647	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR647	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR647	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR647	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR647	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR647	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR647	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR647	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR647	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR647	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR647	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR647	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR647	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR647	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR647	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR647	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR647	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR647	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR647	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR647	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR647	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR647	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR647	ClCCOCCCl	C111444
PADEL_KR647	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR647	O=C1CCCO1	C96480
PADEL_KR647	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR647	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR647	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR647	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR647	OCCOCCO	C111466
PADEL_KR647	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR647	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR647	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR647	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR647	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR647	O=S1(=O)CCCO1	C1120714
PADEL_KR647	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR647	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR647	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR647	OCCOCCOCCO	C112276
PADEL_KR647	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR647	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR647	NC(=O)OCC	C51796
PADEL_KR647	CCCCOCCOCCO	C112345
PADEL_KR647	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR647	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR647	CC(=O)OCCOCC	C111159
PADEL_KR647	CCOCCOCCO	C111900
PADEL_KR647	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR647	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR647	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR647	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR647	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR647	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR647	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR647	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR647	O=S(=O)(OCC)OCC	C64675
PADEL_KR647	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR647	CCOCCO	C110805
PADEL_KR647	CCCCOCCO	C111762
PADEL_KR647	OCCOCCOCCOCC	C112505
PADEL_KR647	O(CCOC)CCOC	C111966
PADEL_KR647	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR647	O(CCOC)CCO	C111773
PADEL_KR647	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR647	C(CC(C)C)OC(=O)C	C123922
PADEL_KR647	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR647	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR647	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR647	C(OCCOC)COCCOC	C112492
PADEL_KR647	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR647	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR647	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR647	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR647	OCCOCCCCCC	C112254
PADEL_KR647	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR647	O=C(C)OCCCCC	C628637
PADEL_KR647	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR647	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR647	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR647	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR647	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR647	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR647	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR647	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR647	OC(OCCCOC)CC	C34590948
PADEL_KR647	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR647	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR647	CCC12N(COC1)COC2	C7747355
PADEL_KR647	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR647	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR647	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR647	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR647	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR647	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR647	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR647	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR647	O=C(CCC)OCC	C105544
PADEL_KR647	O=C(OCC)CCCCCC	C106309
PADEL_KR647	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR647	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR647	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR647	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR647	O=C(CCC)OCCC(C)C	C106274
PADEL_KR647	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR647	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR647	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR647	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR647	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR647	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR647	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR647	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR647	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR647	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR647	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR647	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR647	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR647	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR647	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR647	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR647	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR647	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR647	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR647	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR647	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR647	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR647	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR647	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR647	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR647	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR647	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR647	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR647	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR647	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR647	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR647	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR647	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR647	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR647	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR647	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR647	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR647	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR647	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR647	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR647	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR647	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR647	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR647	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR647	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR647	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR647	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR647	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR647	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR647	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR647	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR647	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR647	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR647	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR647	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR647	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR647	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR647	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR647	NCCOCCOCCN	C929599
PADEL_KR647	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR647	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR647	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR647	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR647	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR647	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR647	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR647	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR647	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR647	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR647	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR647	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR647	O=COCC	C109944
PADEL_KR647	O=C(OCC)c1ccccc1	C93890
PADEL_KR647	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR647	CC(=O)OCC	C141786
PADEL_KR647	CC(=O)OCCCC	C123864
PADEL_KR647	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR647	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR647	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR647	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR647	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR647	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR647	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR647	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR647	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR647	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR647	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR647	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR647	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR647	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR647	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR647	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR647	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR647	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR647	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR647	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR647	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR647	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR647	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR647	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR647	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR647	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR647	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR647	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR647	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR647	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR647	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR647	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR647	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR647	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR647	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR647	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR647	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR647	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR647	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR647	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR647	O=C(OCCCCO)C=C	C2478106
PADEL_KR647	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR647	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR647	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR647	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR647	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR647	NCCCOCCCCCCCC	C15930662
PADEL_KR647	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR647	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR647	CC1COc2ccccc2N1	C32329207
PADEL_KR647	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR647	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR647	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR647	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR647	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR647	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR647	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR647	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR647	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR647	O=COCc1ccc(OC)cc1	C122918
PADEL_KR648	OCCOCCOCCOCCCC	C143226
PADEL_KR648	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR648	C(OCCCC)C1CO1	C2426086
PADEL_KR648	C1COCCN1	C110918
PADEL_KR648	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR648	O=C(C)OCCOCCCC	C112072
PADEL_KR648	OCCOCCOCCOC	C112356
PADEL_KR648	OCCOCCOCCOCCO	C112607
PADEL_KR648	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR648	OCCOCCC	C2807309
PADEL_KR648	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR648	CN1CCOCC1	C109024
PADEL_KR648	OC(C)COCCC	C1569013
PADEL_KR648	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR648	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR648	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR648	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR648	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR648	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR648	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR648	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR648	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR648	CC(O)COCC	C1569024
PADEL_KR648	NCCCN1CCOCC1	C123002
PADEL_KR648	OCCOCC(CC)CCCC	C1559359
PADEL_KR648	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR648	OCCOCC(C)OCCO	C9003116
PADEL_KR648	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR648	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR648	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR648	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR648	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR648	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR648	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR648	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR648	ClCCOCCCl	C111444
PADEL_KR648	OCCOCCO	C111466
PADEL_KR648	OCCOCCOCCO	C112276
PADEL_KR648	CCCCOCCOCCO	C112345
PADEL_KR648	CC(=O)OCCOCC	C111159
PADEL_KR648	CCOCCOCCO	C111900
PADEL_KR648	CCOCCO	C110805
PADEL_KR648	CCCCOCCO	C111762
PADEL_KR648	OCCOCCOCCOCC	C112505
PADEL_KR648	O(CCOC)CCOC	C111966
PADEL_KR648	O(CCOC)CCO	C111773
PADEL_KR648	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR648	C(OCCOC)COCCOC	C112492
PADEL_KR648	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR648	OCCOCCCCCC	C112254
PADEL_KR648	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR648	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR648	CCC12N(COC1)COC2	C7747355
PADEL_KR648	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR648	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR648	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR648	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR648	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR648	NCCOCCOCCN	C929599
PADEL_KR648	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR648	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR648	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR648	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR648	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR648	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR648	NCCCOCCCCCCCC	C15930662
PADEL_KR648	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR648	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR651	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR651	CC(O)COCC	C1569024
PADEL_KR651	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR651	CC(=O)OCCOCC	C111159
PADEL_KR651	CCOCCOCCO	C111900
PADEL_KR651	CCOCCO	C110805
PADEL_KR651	OCCOCCOCCOCC	C112505
PADEL_KR652	ClCOC	C107302
PADEL_KR652	CC(O)COC	C107982
PADEL_KR652	OCCOCCOCCOC	C112356
PADEL_KR652	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR652	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR652	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR652	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR652	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR652	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR652	OCCOC	C109864
PADEL_KR652	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR652	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR652	O(CCOC)CCOC	C111966
PADEL_KR652	O(CCOC)CCO	C111773
PADEL_KR652	C(OCCOC)COCCOC	C112492
PADEL_KR652	OC(OCCCOC)CC	C34590948
PADEL_KR652	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR652	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR652	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR652	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR653	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR653	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR653	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR653	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR653	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR653	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR653	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR653	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR653	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR653	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR653	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR653	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR654	CC(=O)OCc1ccccc1	C140114
PADEL_KR654	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR654	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR654	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR654	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR654	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR654	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR654	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR654	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR654	CCCCCC(=O)OCC	C123660
PADEL_KR654	C=CC(=O)OCCO	C818611
PADEL_KR654	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR654	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR654	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR654	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR654	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR654	O=C(OCCCC)C=C	C141322
PADEL_KR654	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR654	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR654	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR654	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR654	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR654	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR654	O=C1OCC(C)O1	C108327
PADEL_KR654	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR654	O=C(C)OCCOC(=O)C	C111557
PADEL_KR654	O=C(C)OCCOCCCC	C112072
PADEL_KR654	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR654	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR654	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR654	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR654	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR654	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR654	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR654	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR654	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR654	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR654	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR654	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR654	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR654	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR654	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR654	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR654	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR654	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR654	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR654	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR654	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR654	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR654	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR654	O=C(CC)OCC	C105373
PADEL_KR654	O=C1OCC(CC)O1	C4437858
PADEL_KR654	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR654	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR654	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR654	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR654	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR654	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR654	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR654	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR654	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR654	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR654	O=C(CCC)OCCCCC	C540181
PADEL_KR654	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR654	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR654	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR654	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR654	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR654	OC(C)C(=O)OCCCC	C138227
PADEL_KR654	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR654	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR654	O=C(C)OCCCCCCCC	C112141
PADEL_KR654	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR654	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR654	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR654	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR654	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR654	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR654	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR654	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR654	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR654	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR654	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR654	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR654	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR654	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR654	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR654	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR654	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR654	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR654	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR654	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR654	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR654	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR654	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR654	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR654	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR654	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR654	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR654	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR654	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR654	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR654	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR654	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR654	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR654	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR654	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR654	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR654	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR654	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR654	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR654	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR654	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR654	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR654	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR654	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR654	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR654	O=C1CCCO1	C96480
PADEL_KR654	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR654	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR654	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR654	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR654	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR654	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR654	NC(=O)OCC	C51796
PADEL_KR654	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR654	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR654	CC(=O)OCCOCC	C111159
PADEL_KR654	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR654	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR654	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR654	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR654	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR654	C(CC(C)C)OC(=O)C	C123922
PADEL_KR654	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR654	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR654	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR654	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR654	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR654	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR654	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR654	O=C(C)OCCCCC	C628637
PADEL_KR654	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR654	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR654	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR654	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR654	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR654	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR654	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR654	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR654	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR654	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR654	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR654	O=C(CCC)OCC	C105544
PADEL_KR654	O=C(OCC)CCCCCC	C106309
PADEL_KR654	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR654	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR654	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR654	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR654	O=C(CCC)OCCC(C)C	C106274
PADEL_KR654	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR654	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR654	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR654	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR654	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR654	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR654	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR654	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR654	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR654	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR654	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR654	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR654	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR654	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR654	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR654	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR654	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR654	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR654	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR654	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR654	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR654	O=C(OCC)c1ccccc1	C93890
PADEL_KR654	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR654	CC(=O)OCC	C141786
PADEL_KR654	CC(=O)OCCCC	C123864
PADEL_KR654	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR654	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR654	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR654	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR654	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR654	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR654	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR654	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR654	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR654	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR654	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR654	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR654	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR654	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR654	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR654	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR654	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR654	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR654	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR654	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR654	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR654	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR654	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR654	O=C(OCCCCO)C=C	C2478106
PADEL_KR654	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR654	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR654	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR654	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR654	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR654	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR654	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR654	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR657	O=C(CC)OCC	C105373
PADEL_KR657	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR658	CC(=O)OCc1ccccc1	C140114
PADEL_KR658	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR658	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR658	O=C(C)OCCOC(=O)C	C111557
PADEL_KR658	O=C(C)OCCOCCCC	C112072
PADEL_KR658	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR658	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR658	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR658	O=C(C)OCCCCCCCC	C112141
PADEL_KR658	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR658	CC(=O)OCCOCC	C111159
PADEL_KR658	C(CC(C)C)OC(=O)C	C123922
PADEL_KR658	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR658	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR658	O=C(C)OCCCCC	C628637
PADEL_KR658	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR658	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR658	CC(=O)OCC	C141786
PADEL_KR658	CC(=O)OCCCC	C123864
PADEL_KR658	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR658	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR658	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR659	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR659	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR659	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR659	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR659	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR659	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR659	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR659	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR662	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR662	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR662	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR662	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR662	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR662	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR662	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR662	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR662	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR662	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR662	O=S1(=O)CCCO1	C1120714
PADEL_KR662	O=S(=O)(OCC)OCC	C64675
PADEL_KR662	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR662	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR662	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR663	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR663	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR663	O=S1(=O)CCCO1	C1120714
PADEL_KR663	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR663	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR663	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR663	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR663	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR663	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR663	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR663	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR664	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR665	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR665	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR665	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR665	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR665	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR665	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR665	OCCSCCCCCCCC	C3547339
PADEL_KR665	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR665	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR665	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR665	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR665	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR665	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR665	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR665	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR665	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR665	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR665	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR665	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR665	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR665	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR665	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR665	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR665	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR665	CN1CN(C)CSC1=S	C533744
PADEL_KR665	C(SC#N)SC#N	C6317186
PADEL_KR665	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR665	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR665	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR665	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR665	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR665	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR665	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR665	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR665	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR665	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR665	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR665	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR665	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR665	O=S1(=O)CCCO1	C1120714
PADEL_KR665	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR665	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR665	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR665	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR665	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR665	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR665	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR665	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR665	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR665	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR665	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR665	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR665	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR665	O=CCCSC	C3268493
PADEL_KR665	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR665	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR665	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR665	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR665	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR665	N#CSCCCCCCCCCCCC	C765151
PADEL_KR665	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR665	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR665	S=C=NCCCSC	C505793
PADEL_KR665	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR665	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR665	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR669	CC(=O)N	C60355
PADEL_KR669	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR669	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR669	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR669	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR669	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR669	CC(=O)OCc1ccccc1	C140114
PADEL_KR669	CC(CNCC(C)O)O	C110974
PADEL_KR669	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR669	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR669	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR669	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR669	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR669	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR669	Clc1c(ccc(c1)N)C	C95749
PADEL_KR669	ClCOC	C107302
PADEL_KR669	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR669	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR669	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR669	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR669	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR669	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR669	S=C(NCC)NCC	C105555
PADEL_KR669	CN(C)C(=O)C	C127195
PADEL_KR669	CN(CCO)C	C108010
PADEL_KR669	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR669	CN(C)N	C57147
PADEL_KR669	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR669	C=CCc1ccc(cc1)OC	C140670
PADEL_KR669	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR669	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR669	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR669	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR669	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR669	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR669	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR669	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR669	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR669	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR669	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR669	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR669	COc1ccc(cc1)O	C150765
PADEL_KR669	NC(=O)OC	C598550
PADEL_KR669	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR669	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR669	C=Cc1ccc(cc1)C	C622979
PADEL_KR669	O=[N+](CC)[O-]	C79243
PADEL_KR669	CN(C(=O)N)N=O	C684935
PADEL_KR669	CN(N=O)C	C62759
PADEL_KR669	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR669	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR669	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR669	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR669	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR669	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR669	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR669	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR669	Nc1ccccc1C.Cl	C636215
PADEL_KR669	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR669	O=P(OC)(OC)OC	C512561
PADEL_KR669	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR669	OCCOCCOCCOCCCC	C143226
PADEL_KR669	CCCCCCCCCC=O	C112312
PADEL_KR669	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR669	O=CCCCCCC	C111717
PADEL_KR669	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR669	CCCCCCCCC=O	C124196
PADEL_KR669	OC(=O)CCCC	C109524
PADEL_KR669	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR669	CS(=O)C	C67685
PADEL_KR669	OCCC	C71238
PADEL_KR669	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR669	OC(C)CN	C78966
PADEL_KR669	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR669	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR669	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR669	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR669	Nc1ccc(CCCC)cc1	C104132
PADEL_KR669	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR669	CC(O)CC(C)(C)O	C107415
PADEL_KR669	CCCC(=O)C	C107879
PADEL_KR669	CCCCCC(=O)C	C110430
PADEL_KR669	CCNCCO	C110736
PADEL_KR669	CCCCCCO	C111273
PADEL_KR669	CCCCCCCO	C111706
PADEL_KR669	CCCCCCCCCC(=O)C	C112129
PADEL_KR669	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR669	Oc1ccc(CC)cc1	C123079
PADEL_KR669	CCCCCC(=O)OCC	C123660
PADEL_KR669	CCCCCCCCCCCCN	C124221
PADEL_KR669	CCCCCCCCCO	C143088
PADEL_KR669	COc1ccc(OC)cc1	C150787
PADEL_KR669	O=C(OC(C)(C)C)C	C540885
PADEL_KR669	Oc1ccc(CCC)cc1	C645567
PADEL_KR669	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR669	CC/C=C\CCO	C928961
PADEL_KR669	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR669	CCCCCCCCCCN	C2016571
PADEL_KR669	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR669	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR669	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR669	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR669	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR669	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR669	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR669	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR669	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR669	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR669	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR669	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR669	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR669	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR669	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR669	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR669	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR669	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR669	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR669	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR669	c1(c(CC)cccc1)O	C90006
PADEL_KR669	c1c(O)cccc1CC	C620177
PADEL_KR669	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR669	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR669	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR669	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR669	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR669	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR669	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR669	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR669	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR669	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR669	c1cccc(OC)c1O	C90051
PADEL_KR669	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR669	C(=O)(O)C(C)O	C50215
PADEL_KR669	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR669	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR669	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR669	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR669	C[Si](=O)C	C9016006
PADEL_KR669	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR669	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR669	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR669	CNC	C124403
PADEL_KR669	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR669	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR669	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR669	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR669	CC(=C)C#N	C126987
PADEL_KR669	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR669	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR669	Cc1cc(O)ccc1	C108394
PADEL_KR669	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR669	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR669	CC(O)COC	C107982
PADEL_KR669	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR669	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR669	ON=CCCC	C110690
PADEL_KR669	O=C(OCCCC)C=C	C141322
PADEL_KR669	C(C)(C)(C)N	C75649
PADEL_KR669	C(OCCCC)C1CO1	C2426086
PADEL_KR669	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR669	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR669	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR669	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR669	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR669	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR669	N(CCCN)(C)C	C109557
PADEL_KR669	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR669	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR669	Cc1c(C)cccc1O	C526750
PADEL_KR669	Cc1cc(C)cc(O)c1	C108689
PADEL_KR669	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR669	C(CCCCCC)CCCCCS	C112550
PADEL_KR669	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR669	C(CC)(C=O)CCCC	C123057
PADEL_KR669	OCC(C(O)CCC)CC	C94962
PADEL_KR669	CCC(=CCCC)C=O	C645625
PADEL_KR669	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR669	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR669	CC=C1CC2C=CC1C2	C16219753
PADEL_KR669	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_KR669	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR669	C(C)(C)(O)C#N	C75865
PADEL_KR669	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR669	O(C(C)C)C(=O)C	C108214
PADEL_KR669	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR669	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR669	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR669	N#CC(CCC#N)C	C4553622
PADEL_KR669	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR669	C(CCCCCCC)C	C111842
PADEL_KR669	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR669	O(c1ccc(N)cc1)CC	C156434
PADEL_KR669	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR669	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR669	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR669	Cc1cccc2nn[nH]c12	C29385431
PADEL_KR669	O=P(OCC)(OCC)OCC	C78400
PADEL_KR669	N(C)(C)C	C75503
PADEL_KR669	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR669	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR669	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR669	Cc1cccc(C)c1	C108383
PADEL_KR669	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR669	N#CC(C)C	C78820
PADEL_KR669	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR669	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR669	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR669	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR669	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR669	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR669	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR669	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_KR669	O=C1OCC(C)O1	C108327
PADEL_KR669	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR669	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR669	O=C(OC)CCCCCCCCC	C110429
PADEL_KR669	O=C(C)OCCOC(=O)C	C111557
PADEL_KR669	O=C(C)OCCOCCCC	C112072
PADEL_KR669	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR669	OCCOCCOCCOC	C112356
PADEL_KR669	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR669	O=Cc1ccc(OC)cc1	C123115
PADEL_KR669	OC(CCCCCC)C	C123966
PADEL_KR669	OCC(N)(C)C	C124685
PADEL_KR669	OCC(C)(C)CO	C126307
PADEL_KR669	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR669	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR669	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR669	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR669	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR669	O=COC(C)C	C625558
PADEL_KR669	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR669	Cl[Sn](C)(C)Cl	C753731
PADEL_KR669	OC(C)COc1ccccc1	C770354
PADEL_KR669	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR669	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR669	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR669	Nc1cccc(C)c1C	C1300738
PADEL_KR669	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR669	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR669	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR669	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR669	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR669	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR669	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR669	OCCOCCC	C2807309
PADEL_KR669	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR669	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR669	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR669	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR669	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR669	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR669	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR669	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR669	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR669	Nc1c(C)cccc1CC	C24549062
PADEL_KR669	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR669	Clc1cccc(C)c1	C25168052
PADEL_KR669	CC(CO)O	C25322694
PADEL_KR669	SC(C)(C)CCCCCC	C25360105
PADEL_KR669	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR669	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR669	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR669	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR669	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR669	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR669	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR669	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR669	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR669	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR669	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR669	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR669	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR669	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR669	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR669	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR669	CN1CCOCC1	C109024
PADEL_KR669	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR669	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR669	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR669	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR669	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR669	O=C(C=C(C)C)C	C141797
PADEL_KR669	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR669	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR669	OC(C)COCCC	C1569013
PADEL_KR669	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR669	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR669	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR669	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR669	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR669	OCC(CCC)CCCCC	C10042598
PADEL_KR669	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR669	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR669	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR669	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR669	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR669	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR669	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR669	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR669	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR669	OC(OCCCC)CC	C29387868
PADEL_KR669	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR669	ClC(Cl)(C)C	C594207
PADEL_KR669	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR669	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR669	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR669	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR669	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR669	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR669	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR669	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR669	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR669	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR669	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR669	OCn1nc(C)cc1C	C85264331
PADEL_KR669	OCCSCCCCCCCC	C3547339
PADEL_KR669	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR669	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR669	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR669	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR669	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR669	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR669	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR669	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR669	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR669	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR669	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR669	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR669	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR669	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR669	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR669	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR669	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR669	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR669	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR669	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR669	O=C1OC(CCCCC)CC1	C104610
PADEL_KR669	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR669	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR669	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR669	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR669	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR669	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR669	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR669	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR669	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR669	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR669	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR669	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR669	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR669	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR669	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR669	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR669	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR669	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR669	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR669	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR669	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR669	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR669	OC(CCCCC)C=C	C3391864
PADEL_KR669	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR669	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR669	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR669	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR669	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR669	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR669	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR669	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR669	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR669	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR669	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR669	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR669	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR669	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR669	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR669	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR669	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR669	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR669	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR669	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR669	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR669	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR669	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR669	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR669	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_KR669	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_KR669	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_KR669	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR669	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR669	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR669	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR669	O=C(CC)OCC	C105373
PADEL_KR669	O=C(c1ccccc1O)C	C118934
PADEL_KR669	O=C1OCC(CC)O1	C4437858
PADEL_KR669	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR669	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR669	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR669	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR669	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR669	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR669	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR669	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_KR669	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR669	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR669	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR669	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR669	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR669	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR669	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR669	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR669	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR669	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR669	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR669	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR669	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR669	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR669	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR669	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR669	CC(O)COCC	C1569024
PADEL_KR669	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR669	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR669	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR669	Oc1ccccc1CN(C)C	C120650
PADEL_KR669	O=C1CCC(O1)CC	C695067
PADEL_KR669	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR669	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR669	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR669	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR669	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR669	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR669	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR669	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR669	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR669	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR669	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR669	O=C/C=C/CCC	C6728263
PADEL_KR669	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR669	OC(CC(C)C)(C)C#C	C107540
PADEL_KR669	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR669	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR669	CCC(c1ccccc1)CCC	C4468422
PADEL_KR669	O=CCC/C=C\CCCCC	C21662099
PADEL_KR669	O=c1ccoc(CC)c1O	C4940118
PADEL_KR669	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR669	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR669	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR669	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR669	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR669	O=C(CCC)OCCCCC	C540181
PADEL_KR669	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR669	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR669	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR669	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR669	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR669	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR669	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR669	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR669	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR669	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR669	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR669	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR669	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR669	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR669	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR669	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR669	OP(OCC)OCC	C762049
PADEL_KR669	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR669	OCCOCC(CC)CCCC	C1559359
PADEL_KR669	O=C(CC)CCCCC	C106683
PADEL_KR669	OCCN(CC)CCO	C139877
PADEL_KR669	CCOC(OCC)OCC	C122510
PADEL_KR669	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR669	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR669	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR669	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR669	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR669	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR669	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR669	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR669	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR669	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR669	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR669	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR669	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR669	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR669	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR669	S=C(NC)NC	C534134
PADEL_KR669	OC(C)C(=O)OCCCC	C138227
PADEL_KR669	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR669	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR669	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR669	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR669	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR669	Oc1c(OCC)cccc1	C94713
PADEL_KR669	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR669	COc1ccc(CCC)cc1	C104450
PADEL_KR669	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR669	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR669	CO[Si](C)(C)OC	C1112396
PADEL_KR669	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR669	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR669	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR669	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR669	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR669	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR669	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR669	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR669	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR669	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR669	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR669	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR669	O=C(C)OCCCCCCCC	C112141
PADEL_KR669	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR669	NNC(=S)NC	C6610293
PADEL_KR669	Oc1c(C(C)C)cccc1	C88697
PADEL_KR669	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR669	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR669	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR669	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR669	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR669	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR669	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR669	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR669	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR669	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR669	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR669	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR669	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR669	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR669	OCC(CCCC)CCCCCC	C3913028
PADEL_KR669	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR669	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR669	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR669	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR669	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR669	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR669	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR669	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR669	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR669	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR669	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR669	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR669	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR669	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR669	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR669	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR669	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR669	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR669	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR669	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR669	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR669	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR669	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR669	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR669	OCCOCC(C)OCCO	C9003116
PADEL_KR669	O=C1OC(CCC)CC1	C105215
PADEL_KR669	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR669	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR669	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR669	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR669	Nc1ccc(CCC)cc1	C2696846
PADEL_KR669	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR669	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR669	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR669	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR669	Sc1ccc(C)cc1	C106456
PADEL_KR669	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR669	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR669	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR669	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR669	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR669	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR669	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR669	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR669	O=C1CCC(CCC)CC1	C40649363
PADEL_KR669	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR669	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR669	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR669	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR669	OC1CCC(CCCC)CC1	C70568604
PADEL_KR669	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR669	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR669	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR669	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR669	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR669	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR669	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR669	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR669	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR669	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR669	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR669	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR669	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR669	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR669	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR669	C[As](=O)(C)O	C75605
PADEL_KR669	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR669	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR669	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR669	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR669	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR669	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR669	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR669	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR669	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR669	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR669	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR669	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR669	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR669	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR669	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR669	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR669	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR669	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR669	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR669	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR669	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR669	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR669	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR669	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR669	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR669	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR669	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR669	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR669	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR669	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR669	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR669	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR669	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR669	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR669	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR669	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR669	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR669	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR669	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR669	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR669	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR669	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR669	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR669	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR669	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR669	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR669	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR669	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR669	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR669	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR669	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR669	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR669	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR669	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR669	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR669	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR669	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR669	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR669	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR669	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR669	NP(=O)(OC)SC	C10265926
PADEL_KR669	OCCOC	C109864
PADEL_KR669	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR669	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR669	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR669	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR669	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR669	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR669	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR669	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR669	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR669	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR669	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR669	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR669	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR669	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR669	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR669	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR669	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR669	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR669	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR669	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR669	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR669	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR669	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR669	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR669	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR669	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR669	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR669	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR669	CN1CN(C)CSC1=S	C533744
PADEL_KR669	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR669	S=C=NC	C556616
PADEL_KR669	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR669	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR669	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR669	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR669	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR669	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR669	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR669	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR669	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR669	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR669	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR669	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR669	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR669	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR669	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR669	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR669	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR669	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR669	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR669	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR669	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR669	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR669	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR669	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR669	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR669	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR669	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR669	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR669	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR669	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR669	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR669	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR669	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR669	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR669	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR669	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR669	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR669	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR669	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR669	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR669	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR669	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR669	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR669	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR669	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR669	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR669	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR669	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR669	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR669	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR669	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR669	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR669	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR669	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR669	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR669	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR669	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR669	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR669	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR669	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR669	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR669	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR669	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR669	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR669	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR669	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR669	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR669	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR669	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR669	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR669	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR669	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR669	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR669	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR669	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR669	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR669	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR669	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR669	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR669	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR669	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR669	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR669	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR669	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR669	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR669	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR669	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR669	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR669	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR669	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR669	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR669	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR669	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR669	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR669	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR669	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR669	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR669	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR669	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR669	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR669	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR669	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR669	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR669	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR669	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR669	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR669	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR669	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR669	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR669	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR669	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR669	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR669	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR669	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR669	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR669	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR669	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR669	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR669	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR669	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR669	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR669	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR669	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR669	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR669	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR669	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR669	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR669	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR669	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR669	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR669	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_KR669	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR669	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR669	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR669	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR669	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR669	Nc1cc(ccc1OC)C	C120718
PADEL_KR669	Nc1c(ccc(c1)N)C	C95807
PADEL_KR669	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR669	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR669	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR669	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR669	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR669	CN(c1ccccc1)C	C121697
PADEL_KR669	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR669	O=C(N(C)C)Cl	C79447
PADEL_KR669	CN(C=O)C	C68122
PADEL_KR669	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR669	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR669	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR669	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR669	CCC(CCCC)CO	C104767
PADEL_KR669	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR669	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR669	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR669	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR669	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR669	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR669	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR669	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR669	[nH]1c(=S)n(cc1)C	C60560
PADEL_KR669	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR669	CS(=O)(=O)OC	C66273
PADEL_KR669	O=C1N(CCC1)C	C872504
PADEL_KR669	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR669	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR669	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR669	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR669	Cc1cc2cccnc2cc1	C91623
PADEL_KR669	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR669	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR669	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR669	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR669	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR669	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR669	O=NN(CCCC)CCCC	C924163
PADEL_KR669	CCN(CC)N=O	C55185
PADEL_KR669	O=NN(CCC)CCC	C621647
PADEL_KR669	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR669	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR669	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR669	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR669	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR669	CC(CO)O	C57556
PADEL_KR669	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR669	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR669	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR669	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR669	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR669	OC(=O)C=CC=CC	C110441
PADEL_KR669	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR669	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR669	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR669	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR669	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR669	Cc1c(ccc(c1)C)C	C95636
PADEL_KR669	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR669	NC(=O)OCC	C51796
PADEL_KR669	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR669	OC(=O)CCC	C107926
PADEL_KR669	CCCCOCCOCCO	C112345
PADEL_KR669	CCCCCCCCCC(=O)O	C334485
PADEL_KR669	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR669	O=C(O)CCCCCC	C111148
PADEL_KR669	CCCCCC(=O)O	C142621
PADEL_KR669	CCCCCCCCC(=O)O	C112050
PADEL_KR669	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR669	CCCCCCCC=O	C124130
PADEL_KR669	CCCCCCCC(=O)O	C124072
PADEL_KR669	CCCCC=O	C110623
PADEL_KR669	CCCCCCCCCCC	C1120214
PADEL_KR669	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR669	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR669	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR669	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR669	CCN(CC)c1ccccc1	C91667
PADEL_KR669	Oc1c(C)cccc1	C95487
PADEL_KR669	CCC(=NO)C	C96297
PADEL_KR669	c1ccccc1C(=O)C	C98862
PADEL_KR669	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR669	CN(C)c1ccc(C)cc1	C99978
PADEL_KR669	CCN(CCO)CC	C100378
PADEL_KR669	CCNc1cc(C)ccc1	C102272
PADEL_KR669	Oc1c(C)cc(C)cc1	C105679
PADEL_KR669	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR669	Oc1ccc(C)cc1	C106445
PADEL_KR669	Nc1ccc(C)cc1	C106490
PADEL_KR669	CC(=O)OCCOCC	C111159
PADEL_KR669	CCCCCCCCO	C111875
PADEL_KR669	CCOCCOCCO	C111900
PADEL_KR669	CCCCCCCCCCO	C112301
PADEL_KR669	CCCCCCCCCCCCCO	C112709
PADEL_KR669	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR669	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR669	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR669	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR669	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR669	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR669	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR669	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR669	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR669	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR669	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR669	c1(CCCC)ccccc1	C104518
PADEL_KR669	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR669	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR669	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR669	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR669	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR669	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR669	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR669	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR669	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR669	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR669	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR669	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR669	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR669	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR669	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR669	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR669	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR669	Nc1c(OC)cccc1	C90040
PADEL_KR669	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR669	Cc1ccccc1Cl	C95498
PADEL_KR669	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR669	O=S(=O)(OCC)OCC	C64675
PADEL_KR669	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR669	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR669	O=S(=O)(OC)OC	C77781
PADEL_KR669	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR669	Oc1cc(C)c(C)cc1	C95658
PADEL_KR669	Oc1c(cccc1C)C	C576261
PADEL_KR669	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR669	CCOCCO	C110805
PADEL_KR669	CCCCOCCO	C111762
PADEL_KR669	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR669	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR669	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR669	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR669	OCCOCCOCCOCC	C112505
PADEL_KR669	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR669	ON=CC(C)(C)SC	C1646759
PADEL_KR669	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR669	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR669	O(CCOC)CCOC	C111966
PADEL_KR669	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR669	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR669	Cc1ccc(Cl)cc1	C106434
PADEL_KR669	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR669	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR669	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR669	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR669	C(CCCCCCCC)C	C124185
PADEL_KR669	Nc1cc(C)ccc1N	C496720
PADEL_KR669	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR669	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR669	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR669	O(CCOC)CCO	C111773
PADEL_KR669	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR669	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR669	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR669	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR669	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR669	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR669	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR669	Oc1c(ccc(C)c1)C	C95874
PADEL_KR669	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR669	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR669	N(c1ccccc1)CC	C103695
PADEL_KR669	O=C(O)C(CCCC)CC	C149575
PADEL_KR669	C(CC(C)C)OC(=O)C	C123922
PADEL_KR669	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR669	o1c(C)c(O)c(=O)cc1	C118718
PADEL_KR669	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR669	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR669	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR669	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR669	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR669	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR669	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR669	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR669	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR669	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR669	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR669	Nc1c(cccc1)C	C95534
PADEL_KR669	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR669	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR669	C(OCCOC)COCCOC	C112492
PADEL_KR669	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR669	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR669	Nc1c(cccc1C)C	C87627
PADEL_KR669	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR669	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR669	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR669	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR669	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR669	CC(C)c1ccc(C)cc1	C99876
PADEL_KR669	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR669	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR669	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR669	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR669	OCCC(C)CCC=C(C)C	C106229
PADEL_KR669	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR669	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR669	OCCC(O)C	C107880
PADEL_KR669	OC(CC(C)C)C	C108112
PADEL_KR669	Nc1cccc(C)c1	C108441
PADEL_KR669	Cc1cc(C)cc(C)c1	C108678
PADEL_KR669	O=C(OC)CCCCCCC	C111115
PADEL_KR669	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR669	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR669	OCCOCCCCCC	C112254
PADEL_KR669	OCCCCCCCCCCC	C112425
PADEL_KR669	OCCCCCCCCCCCC	C112538
PADEL_KR669	OCCCCCCCCCCCCCC	C112721
PADEL_KR669	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR669	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR669	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR669	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR669	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR669	CCCCCCCCCCCCCCCC	C544763
PADEL_KR669	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_KR669	Nc1c(CC)cccc1CC	C579668
PADEL_KR669	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR669	O=C(C)OCCCCC	C628637
PADEL_KR669	CCCCCCCCCCCCCCC	C629629
PADEL_KR669	OCCCCCCCCCCCCCCC	C629765
PADEL_KR669	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR669	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR669	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR669	Nc1cccc(C)c1N	C2687254
PADEL_KR669	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR669	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR669	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR669	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR669	OC(OC(O)CC)CC	C25265718
PADEL_KR669	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR669	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR669	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR669	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR669	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR669	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR669	OC(OCCCOC)CC	C34590948
PADEL_KR669	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR669	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR669	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR669	O=C(OC)CC(=O)OC	C108598
PADEL_KR669	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR669	CCC12N(COC1)COC2	C7747355
PADEL_KR669	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR669	O=C(N)C(=C)C	C79390
PADEL_KR669	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR669	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR669	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR669	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR669	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR669	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR669	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR669	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR669	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR669	O=c1n(C)sc(Cl)c1	C26172554
PADEL_KR669	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR669	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR669	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR669	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR669	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR669	CCCCCCCCN(C)C	C7378996
PADEL_KR669	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR669	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR669	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR669	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR669	O=C(CCC)OCC	C105544
PADEL_KR669	O=C(OCC)CCCCCC	C106309
PADEL_KR669	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR669	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR669	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR669	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR669	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR669	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR669	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR669	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR669	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR669	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR669	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR669	O=C(CCC)OCCC(C)C	C106274
PADEL_KR669	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR669	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR669	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR669	CCCc1ccccc1	C103651
PADEL_KR669	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR669	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR669	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR669	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR669	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR669	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR669	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR669	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR669	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR669	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR669	CC(C)(C)c1ccccc1	C98066
PADEL_KR669	O=C(C)NC	C79163
PADEL_KR669	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR669	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR669	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR669	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR669	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR669	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR669	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR669	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR669	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR669	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR669	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR669	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR669	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR669	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR669	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR669	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR669	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR669	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR669	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR669	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR669	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR669	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR669	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR669	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR669	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR669	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR669	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR669	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR669	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR669	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR669	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR669	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR669	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR669	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR669	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR669	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR669	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR669	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR669	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR669	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR669	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR669	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR669	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR669	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR669	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR669	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR669	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR669	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR669	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR669	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR669	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR669	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR669	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR669	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR669	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR669	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR669	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR669	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR669	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR669	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR669	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR669	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR669	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR669	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR669	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR669	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR669	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR669	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR669	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR669	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR669	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR669	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR669	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR669	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR669	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR669	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR669	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR669	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR669	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR669	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR669	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR669	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR669	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR669	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR669	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR669	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR669	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR669	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR669	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR669	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR669	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR669	C=CCCCCCCCCCCCC	C1120361
PADEL_KR669	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR669	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR669	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR669	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR669	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR669	C(=O)(C)O	C64197
PADEL_KR669	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR669	C(CO)C(C)C	C123513
PADEL_KR669	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR669	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR669	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR669	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR669	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR669	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR669	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR669	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR669	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR669	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR669	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR669	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR669	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR669	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR669	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR669	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR669	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR669	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR669	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR669	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR669	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR669	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR669	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR669	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR669	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR669	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR669	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR669	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR669	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR669	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR669	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR669	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR669	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR669	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR669	OCCC(OC)C	C2517433
PADEL_KR669	S=C(NCCCC)NCCCC	C109466
PADEL_KR669	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR669	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR669	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR669	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR669	O=COCC	C109944
PADEL_KR669	O=C(OCC)c1ccccc1	C93890
PADEL_KR669	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR669	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR669	O=CCCSC	C3268493
PADEL_KR669	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_KR669	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR669	N(CCN(C)C)(C)C	C110189
PADEL_KR669	CCN(CC)CC	C121448
PADEL_KR669	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR669	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR669	CC(=O)OCC	C141786
PADEL_KR669	CC(=O)OCCCC	C123864
PADEL_KR669	CC(=O)CCC(C)C	C110123
PADEL_KR669	n1cc(C)ccc1	C108996
PADEL_KR669	CC(=O)CC(C)C	C108101
PADEL_KR669	CC(C)C=O	C78842
PADEL_KR669	CCCCCC=O	C66251
PADEL_KR669	CCCC=O	C123728
PADEL_KR669	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR669	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR669	CCC1CO1	C106887
PADEL_KR669	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR669	CC1CC(=O)O1	C3068880
PADEL_KR669	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR669	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR669	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR669	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR669	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR669	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR669	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR669	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR669	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR669	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR669	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR669	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR669	CC(=O)C(=O)O	C127173
PADEL_KR669	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR669	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR669	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR669	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR669	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR669	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR669	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR669	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR669	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR669	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR669	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR669	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR669	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR669	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR669	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR669	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR669	Nc1ccc(OC)cc1	C104949
PADEL_KR669	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR669	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR669	O=CC=CC=CCCCCC	C25152845
PADEL_KR669	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR669	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR669	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR669	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR669	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR669	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR669	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR669	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR669	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR669	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR669	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR669	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_KR669	OCC=C(C)C	C556821
PADEL_KR669	ClC(=O)C(CC)CCCC	C760678
PADEL_KR669	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR669	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR669	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR669	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR669	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR669	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR669	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR669	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR669	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR669	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR669	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR669	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR669	O=c1cc(C)o[nH]1	C10004441
PADEL_KR669	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR669	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR669	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR669	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR669	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR669	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR669	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR669	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR669	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR669	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR669	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR669	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR669	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR669	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR669	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR669	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR669	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR669	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR669	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR669	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR669	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR669	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR669	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR669	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR669	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR669	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR669	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR669	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR669	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR669	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR669	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR669	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR669	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR669	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR669	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR669	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR669	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR669	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR669	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR669	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR669	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR669	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR669	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR669	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR669	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR669	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR669	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR669	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR669	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR669	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR669	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR669	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR669	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR669	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR669	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR669	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR669	N#CSCCCCCCCCCCCC	C765151
PADEL_KR669	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR669	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR669	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR669	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR669	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR669	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR669	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR669	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR669	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR669	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR669	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR669	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR669	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR669	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR669	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR669	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR669	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR669	BrCCCCCCCCCCCC	C143157
PADEL_KR669	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR669	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR669	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR669	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR669	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR669	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR669	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR669	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR669	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR669	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR669	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR669	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR669	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR669	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR669	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR669	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR669	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR669	NCCCOCCCCCCCC	C15930662
PADEL_KR669	Nc1cccc(C)n1	C1824813
PADEL_KR669	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR669	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR669	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR669	CC1COc2ccccc2N1	C32329207
PADEL_KR669	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR669	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR669	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR669	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR669	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR669	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR669	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR669	O=C/C=C/CCCCCCC	C3913813
PADEL_KR669	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR669	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR669	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR669	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR669	S=C=NCCCSC	C505793
PADEL_KR669	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR669	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR669	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR669	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR669	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR669	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR669	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR669	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR669	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR669	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR669	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR669	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR669	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR669	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_KR669	CCCCCCCCCC(C)C=O	C110418
PADEL_KR669	O=COCc1ccc(OC)cc1	C122918
PADEL_KR669	CCCCCc1ccco1	C3777693
PADEL_KR669	CCC(=O)C(=O)CC	C4437518
PADEL_KR669	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR669	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR670	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR670	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR670	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR670	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR670	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR670	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR671	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR671	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR671	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR671	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR671	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR671	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR672	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR672	O=[N+](CC)[O-]	C79243
PADEL_KR672	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR672	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR672	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR672	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR672	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR672	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR672	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR672	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_KR672	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR672	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR672	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR672	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR672	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR672	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR672	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR672	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR672	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR672	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR672	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR672	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR672	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR672	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR672	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR672	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR672	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR672	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR672	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR672	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR672	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR672	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR672	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR672	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR672	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR672	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR672	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR672	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR672	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR672	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR672	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR672	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR672	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR672	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR672	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR672	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR672	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR672	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR672	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR672	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR672	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR672	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR672	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR672	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR672	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR672	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR672	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR672	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR672	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR672	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR672	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR672	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR672	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR672	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR672	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR672	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR672	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR672	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR672	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR672	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR672	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR672	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR672	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR672	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR672	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR672	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR672	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR672	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR672	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR672	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR672	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR672	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR672	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR672	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR672	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR672	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR672	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR672	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR672	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR672	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR672	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR672	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR672	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR672	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR672	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR672	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR672	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR672	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR672	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR672	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR672	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR672	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR672	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR672	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR672	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR672	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR672	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR672	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR672	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR673	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR673	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR673	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR677	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR677	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR677	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR677	CC(CNCC(C)O)O	C110974
PADEL_KR677	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR677	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR677	NC(=N)NC#N	C461585
PADEL_KR677	S=C(NCC)NCC	C105555
PADEL_KR677	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR677	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR677	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR677	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR677	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR677	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR677	OCCN1CCNCC1	C103764
PADEL_KR677	CCNCCO	C110736
PADEL_KR677	NCCN1CCNCC1	C140318
PADEL_KR677	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR677	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR677	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR677	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR677	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR677	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR677	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR677	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR677	CNC	C124403
PADEL_KR677	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR677	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR677	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR677	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR677	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR677	N(CCN)CCN	C111400
PADEL_KR677	OCNC(=O)NCO	C140954
PADEL_KR677	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_KR677	C1COCCN1	C110918
PADEL_KR677	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR677	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR677	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR677	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR677	N1CCCCCC1	C111499
PADEL_KR677	O=C1NCCC1	C616455
PADEL_KR677	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR677	NNC(=S)NN	C2231574
PADEL_KR677	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR677	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR677	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR677	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR677	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR677	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR677	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR677	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR677	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR677	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR677	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR677	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR677	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR677	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR677	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR677	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR677	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR677	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR677	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR677	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR677	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR677	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR677	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR677	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR677	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR677	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR677	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR677	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR677	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR677	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR677	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR677	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR677	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR677	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR677	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR677	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR677	S=C(NC)NC	C534134
PADEL_KR677	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR677	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR677	O=C(N)Nc1ccccc1	C64108
PADEL_KR677	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR677	NNC(=S)NC	C6610293
PADEL_KR677	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR677	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR677	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR677	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR677	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR677	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR677	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR677	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR677	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR677	S=C1NCCN1	C96457
PADEL_KR677	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR677	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR677	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR677	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR677	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR677	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR677	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR677	c1ccccc1Nc1ccccc1	C122394
PADEL_KR677	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR677	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR677	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR677	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR677	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR677	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR677	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR677	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR677	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR677	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR677	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR677	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR677	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR677	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR677	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR677	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR677	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR677	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR677	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR677	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR677	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR677	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR677	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR677	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR677	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR677	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR677	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR677	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR677	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR677	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR677	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR677	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR677	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR677	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR677	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR677	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR677	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR677	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR677	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR677	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR677	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR677	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR677	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR677	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR677	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR677	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR677	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR677	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR677	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR677	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR677	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR677	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR677	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR677	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR677	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR677	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR677	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR677	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR677	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR677	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR677	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR677	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR677	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR677	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR677	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR677	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR677	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR677	O=C1CCCCCN1	C105602
PADEL_KR677	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR677	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR677	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR677	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR677	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR677	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR677	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR677	O=C(c1ccncc1)NN	C54853
PADEL_KR677	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR677	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR677	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR677	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR677	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR677	C1CNCCN1	C110850
PADEL_KR677	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR677	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR677	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR677	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR677	CCNc1cc(C)ccc1	C102272
PADEL_KR677	OCCNCCO	C111422
PADEL_KR677	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR677	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR677	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR677	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR677	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR677	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR677	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR677	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR677	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR677	N(c1ccccc1)CC	C103695
PADEL_KR677	C(=O)(N)NO	C127071
PADEL_KR677	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR677	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR677	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR677	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR677	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR677	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR677	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR677	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR677	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR677	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR677	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR677	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR677	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR677	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR677	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR677	O=C(C)NC	C79163
PADEL_KR677	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR677	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR677	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR677	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR677	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR677	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR677	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR677	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR677	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR677	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR677	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR677	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR677	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR677	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR677	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR677	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR677	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR677	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR677	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR677	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR677	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR677	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR677	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR677	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR677	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR677	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR677	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR677	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR677	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR677	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR677	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR677	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR677	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR677	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR677	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR677	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR677	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR677	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR677	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR677	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR677	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR677	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR677	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR677	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR677	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR677	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR677	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR677	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR677	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR677	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR677	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR677	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR677	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR677	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR677	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR677	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR677	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR677	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR677	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR677	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR677	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR677	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR677	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR677	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR677	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR677	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR677	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR677	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR677	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR677	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR677	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR677	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR677	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR677	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR677	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR677	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR677	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR677	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR677	S=C(NCCCC)NCCCC	C109466
PADEL_KR677	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR677	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR677	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR677	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR677	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR677	NNc1ccccc1.Cl	C59881
PADEL_KR677	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR677	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR677	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR677	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR677	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR677	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR677	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR677	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR677	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR677	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR677	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR677	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR677	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR677	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR677	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR677	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR677	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR677	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR677	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR677	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR677	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR677	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR677	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR677	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR677	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR677	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR677	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR677	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR677	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR677	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR677	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR677	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR677	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR677	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR677	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR677	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR677	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR677	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR677	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR677	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR677	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR677	CC1COc2ccccc2N1	C32329207
PADEL_KR677	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR677	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR677	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR677	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR678	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR678	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR678	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR678	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR678	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR678	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR678	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR678	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR678	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR678	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR678	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR678	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR678	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR678	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR678	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR678	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR678	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR678	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR678	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR678	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR678	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR678	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR678	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR678	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR678	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR678	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR678	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR678	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR678	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR678	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR678	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR678	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR678	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR678	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR678	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR678	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR678	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR678	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR678	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR678	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR678	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR678	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR678	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR678	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR678	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR678	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR678	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR678	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR678	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR678	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR678	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR678	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR678	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR678	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR678	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR678	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR678	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR678	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR678	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR678	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR678	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR678	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR678	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR678	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR678	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR678	CC1COc2ccccc2N1	C32329207
PADEL_KR679	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR679	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR680	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR682	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR683	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR683	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR683	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR683	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR683	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR683	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR683	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR683	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR683	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR683	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR683	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR683	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR683	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR683	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR683	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR683	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR683	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR683	CC1COc2ccccc2N1	C32329207
PADEL_KR685	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR690	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR691	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR697	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR703	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR706	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR706	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR706	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR706	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR706	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR706	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR706	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR706	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR706	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR706	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR706	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR706	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR707	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR709	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR752	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR752	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR752	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR752	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR754	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR754	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR758	CC(CNCC(C)O)O	C110974
PADEL_KR758	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR758	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR758	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR758	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR758	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR758	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR758	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR758	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR761	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR761	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR761	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR763	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR763	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR763	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR768	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR768	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR768	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR768	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR768	S=C(NCCCC)NCCCC	C109466
PADEL_KR774	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR774	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR774	C1CNCCN1	C110850
PADEL_KR774	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR775	N(CCN)CCN	C111400
PADEL_KR775	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR776	CCNCCO	C110736
PADEL_KR776	OCCNCCO	C111422
PADEL_KR784	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR785	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR786	C1COCCN1	C110918
PADEL_KR786	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR788	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR788	S=C(NCC)NCC	C105555
PADEL_KR788	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR788	CCNCCO	C110736
PADEL_KR788	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR788	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR788	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR788	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR788	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR788	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR788	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR788	CCNc1cc(C)ccc1	C102272
PADEL_KR788	N(c1ccccc1)CC	C103695
PADEL_KR788	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR788	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR789	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR789	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR789	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR790	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR802	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR802	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR802	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR802	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR804	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR810	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR810	CNC	C124403
PADEL_KR810	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR810	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR810	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR810	S=C(NC)NC	C534134
PADEL_KR810	NNC(=S)NC	C6610293
PADEL_KR810	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR810	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR810	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR810	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR810	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR810	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR810	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR810	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR810	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR810	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR810	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR810	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR810	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR810	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR810	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR810	O=C(C)NC	C79163
PADEL_KR810	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR810	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR810	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR810	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR810	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR810	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR810	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR810	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR810	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR811	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR811	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR813	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR820	NNC(=S)NN	C2231574
PADEL_KR820	NNC(=S)NC	C6610293
PADEL_KR820	O=C(c1ccncc1)NN	C54853
PADEL_KR820	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR820	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR820	NNc1ccccc1.Cl	C59881
PADEL_KR820	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR821	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR821	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR821	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR821	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR821	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR821	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR821	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR821	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR821	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR821	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR821	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR821	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR821	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR821	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR821	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR821	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR821	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR821	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR821	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR821	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR821	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR821	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR821	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR822	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR822	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR822	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR822	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR822	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR822	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR822	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR822	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR822	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR822	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR822	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR822	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR822	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR822	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR822	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR822	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR823	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR823	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR823	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR823	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR823	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR823	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR823	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR823	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR823	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR823	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR825	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR825	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR826	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR826	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR826	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR826	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR826	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR826	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR826	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR826	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR826	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR826	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR826	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR826	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR829	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR829	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR829	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR829	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR829	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR830	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR830	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR830	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR833	NC(=N)NC#N	C461585
PADEL_KR837	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR837	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR837	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR839	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR839	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR839	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR839	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR839	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR839	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR839	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR839	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR839	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR839	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR839	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR839	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR839	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR839	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR839	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR839	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR839	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR839	OCNC(=O)NCO	C140954
PADEL_KR839	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR839	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR839	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR839	O=C1NCCC1	C616455
PADEL_KR839	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR839	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR839	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR839	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR839	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR839	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR839	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR839	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR839	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR839	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR839	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR839	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR839	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR839	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR839	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR839	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR839	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR839	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR839	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR839	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR839	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR839	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR839	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR839	O=C(N)Nc1ccccc1	C64108
PADEL_KR839	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR839	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR839	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR839	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR839	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR839	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR839	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR839	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR839	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR839	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR839	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR839	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR839	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR839	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR839	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR839	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR839	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR839	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR839	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR839	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR839	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR839	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR839	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR839	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR839	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR839	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR839	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR839	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR839	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR839	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR839	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR839	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR839	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR839	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR839	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR839	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR839	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR839	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR839	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR839	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR839	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR839	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR839	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR839	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR839	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR839	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR839	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR839	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR839	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR839	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR839	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR839	O=C1CCCCCN1	C105602
PADEL_KR839	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR839	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR839	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR839	O=C(c1ccncc1)NN	C54853
PADEL_KR839	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR839	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR839	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR839	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR839	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR839	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR839	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR839	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR839	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR839	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR839	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR839	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR839	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR839	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR839	C(=O)(N)NO	C127071
PADEL_KR839	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR839	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR839	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR839	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR839	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR839	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR839	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR839	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR839	O=C(C)NC	C79163
PADEL_KR839	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR839	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR839	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR839	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR839	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR839	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR839	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR839	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR839	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR839	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR839	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR839	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR839	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR839	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR839	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR839	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR839	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR839	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR839	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR839	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR839	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR839	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR839	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR839	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR839	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR839	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR839	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR839	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR839	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR839	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR839	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR839	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR839	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR839	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR839	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR839	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR839	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR839	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR839	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR839	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR839	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR839	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR839	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR839	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR839	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR839	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR839	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR839	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR839	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR839	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR839	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR839	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR839	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR839	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR839	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR839	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR839	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR839	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR839	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR839	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR839	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR839	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR839	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR839	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR839	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR839	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR839	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR839	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR839	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR839	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR839	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR839	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR839	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR839	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR839	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR839	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR839	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR839	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR839	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR839	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR839	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR839	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR839	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR839	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR839	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR839	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR839	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR839	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR839	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR839	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR840	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR840	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR840	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR840	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR840	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR840	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR840	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR840	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR840	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR840	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR840	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR840	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR840	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR840	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR840	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR840	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR840	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR841	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR842	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR842	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR848	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR852	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR852	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR868	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR874	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR879	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR880	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR882	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR882	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR882	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR884	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR884	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR887	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR890	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR890	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR890	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR890	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR890	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR890	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR890	O=C(C)NC	C79163
PADEL_KR890	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR890	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR891	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR891	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR891	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR891	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR891	OCNC(=O)NCO	C140954
PADEL_KR891	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR891	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR891	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR891	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR891	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR891	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR891	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR891	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR891	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR891	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR891	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR891	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR891	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR891	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR891	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR891	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR891	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR891	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR891	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR891	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR891	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR891	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR891	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR891	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR891	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR891	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR891	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR891	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR891	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR891	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR891	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR891	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR891	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR896	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR900	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR900	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR900	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR900	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR900	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR900	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR900	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR900	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR906	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR906	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR906	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR906	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR906	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR906	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR906	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR906	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR906	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR906	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR906	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR906	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR906	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR906	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR906	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR906	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR906	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR906	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR908	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR908	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR908	O=C(N)Nc1ccccc1	C64108
PADEL_KR908	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR908	C(=O)(N)NO	C127071
PADEL_KR908	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR909	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR910	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR910	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR924	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR924	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR924	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR924	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR924	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR924	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR924	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR924	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR924	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR924	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR924	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR924	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR924	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR924	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR924	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR924	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR924	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR924	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR924	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR924	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR924	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR924	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR924	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR924	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR924	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR924	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR924	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR924	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR924	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR925	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR925	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR925	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR931	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR931	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR931	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR932	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR932	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR932	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR932	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR932	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR933	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR933	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR933	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR936	S=C(NCC)NCC	C105555
PADEL_KR936	NNC(=S)NN	C2231574
PADEL_KR936	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR936	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR936	S=C(NC)NC	C534134
PADEL_KR936	NNC(=S)NC	C6610293
PADEL_KR936	S=C1NCCN1	C96457
PADEL_KR936	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR936	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR936	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR936	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR936	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR936	S=C(NCCCC)NCCCC	C109466
PADEL_KR936	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR936	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR937	S=C(NCC)NCC	C105555
PADEL_KR937	NNC(=S)NN	C2231574
PADEL_KR937	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR937	S=C(NC)NC	C534134
PADEL_KR937	NNC(=S)NC	C6610293
PADEL_KR937	S=C1NCCN1	C96457
PADEL_KR937	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR937	S=C(NCCCC)NCCCC	C109466
PADEL_KR937	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR954	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR954	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR972	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR972	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR972	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR972	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR972	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR972	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR972	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR972	O=C(N)Nc1ccccc1	C64108
PADEL_KR972	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR972	c1ccccc1Nc1ccccc1	C122394
PADEL_KR972	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR972	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR972	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR972	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR972	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR972	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR972	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR972	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR972	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR972	N(c1ccccc1)CC	C103695
PADEL_KR972	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR972	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR972	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR972	NNc1ccccc1.Cl	C59881
PADEL_KR972	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR972	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR972	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR972	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR972	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR972	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR972	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR973	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR973	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR973	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR973	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR973	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR973	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR973	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR973	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR973	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR973	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR973	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR973	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR973	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR973	CC1COc2ccccc2N1	C32329207
PADEL_KR977	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR977	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR983	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR983	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR983	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR983	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR984	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR984	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR986	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR989	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR989	CC1COc2ccccc2N1	C32329207
PADEL_KR991	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR992	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR992	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR992	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR992	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR992	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR992	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR992	CCNc1cc(C)ccc1	C102272
PADEL_KR992	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR992	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR992	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR992	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR992	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR992	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR992	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR994	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR998	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR998	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR998	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR999	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR999	CCNc1cc(C)ccc1	C102272
PADEL_KR999	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR1000	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1000	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1004	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1004	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR1004	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR1008	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR1008	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR1008	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1008	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1008	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1009	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR1013	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR1013	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1013	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1013	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1013	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1013	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1013	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1013	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1013	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1013	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1013	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR1013	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1013	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR1013	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1013	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1013	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR1013	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR1013	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1013	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR1013	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR1013	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR1013	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR1014	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1020	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR1021	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1021	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1021	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1024	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1024	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1037	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR1038	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1038	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR1039	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1042	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1042	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1042	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1042	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1042	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1042	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR1042	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR1045	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1046	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1048	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1048	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1048	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1048	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1048	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1048	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1055	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR1066	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1089	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1089	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1101	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1101	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR1104	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR1104	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR1105	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR1105	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1105	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR1105	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR1105	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR1105	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR1105	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR1105	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR1105	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR1105	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR1105	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR1105	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR1105	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR1105	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR1105	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR1105	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1105	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1105	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1105	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1105	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1105	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1105	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1106	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR1106	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR1106	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR1106	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR1106	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR1106	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR1106	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR1106	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR1110	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR1110	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR1111	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR1111	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1112	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR1114	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR1124	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1124	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR1124	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1124	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1124	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1124	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1124	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1124	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1125	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1126	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR1126	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR1127	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR1139	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1139	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1139	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR1139	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1139	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR1139	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1139	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1139	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1139	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR1139	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR1139	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR1139	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR1139	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1139	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR1139	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1139	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1139	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1139	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR1139	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1139	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1139	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1139	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1139	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1139	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1139	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1139	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1139	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1139	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1139	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1139	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1139	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1139	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1139	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1139	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1139	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1139	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1139	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1141	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR1141	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1141	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1141	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1144	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1144	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1144	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR1144	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1144	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR1144	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1144	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1144	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1144	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR1144	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR1144	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR1144	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR1144	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1144	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR1144	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1144	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1144	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1144	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR1144	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1144	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1144	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1144	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1144	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1144	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1144	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1144	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1144	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1144	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1144	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1144	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1144	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1144	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1144	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1144	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1144	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1145	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1145	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1145	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR1145	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1145	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR1145	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1145	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1145	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1145	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR1145	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR1145	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR1145	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR1145	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1145	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR1145	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1145	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1145	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1145	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR1145	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1145	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1145	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1145	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1145	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1145	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1145	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1145	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1145	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1145	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1145	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1145	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1145	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1145	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1145	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1145	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1145	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1146	CC(=O)N	C60355
PADEL_KR1146	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR1146	c1(nc[nH]n1)N	C61825
PADEL_KR1146	Nc1ccccc1.Cl	C142041
PADEL_KR1146	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR1146	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1146	Clc1c(ccc(c1)N)C	C95749
PADEL_KR1146	NC(=N)NC#N	C461585
PADEL_KR1146	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR1146	CN(C)N	C57147
PADEL_KR1146	NC(=O)OC	C598550
PADEL_KR1146	NC(=O)c1cccnc1	C98920
PADEL_KR1146	CN(C(=O)N)N=O	C684935
PADEL_KR1146	Nc1ccc(cc1)N	C106503
PADEL_KR1146	NC(=S)N	C62566
PADEL_KR1146	Nc1ccccc1C.Cl	C636215
PADEL_KR1146	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1146	OC(C)CN	C78966
PADEL_KR1146	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR1146	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR1146	Nc1ccc(CCCC)cc1	C104132
PADEL_KR1146	CCCCCCCCCCCCN	C124221
PADEL_KR1146	NCCN1CCNCC1	C140318
PADEL_KR1146	CCCCCCCCCCN	C2016571
PADEL_KR1146	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR1146	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR1146	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR1146	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR1146	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1146	NC(CO)(CO)CO	C77861
PADEL_KR1146	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR1146	O=C(N)N=NC(=O)N	C123773
PADEL_KR1146	C(C)(C)(C)N	C75649
PADEL_KR1146	C(CCN)CCCN	C124094
PADEL_KR1146	N(CCN)CCN	C111400
PADEL_KR1146	N(CCCN)(C)C	C109557
PADEL_KR1146	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR1146	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR1146	O(c1ccc(N)cc1)CC	C156434
PADEL_KR1146	OCC(N)(C)C	C124685
PADEL_KR1146	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR1146	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR1146	Nc1cccc(C)c1C	C1300738
PADEL_KR1146	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR1146	NNC(=S)NN	C2231574
PADEL_KR1146	Nc1c(C)cccc1CC	C24549062
PADEL_KR1146	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR1146	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR1146	O=S(=O)(N)O	C5329146
PADEL_KR1146	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1146	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR1146	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR1146	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR1146	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR1146	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR1146	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1146	NCCCN1CCOCC1	C123002
PADEL_KR1146	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1146	O=C(N)Nc1ccccc1	C64108
PADEL_KR1146	NNC(=S)NC	C6610293
PADEL_KR1146	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR1146	NCCN.I.I	C5700492
PADEL_KR1146	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1146	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1146	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR1146	Nc1ccc(CCC)cc1	C2696846
PADEL_KR1146	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1146	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR1146	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR1146	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR1146	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR1146	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1146	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1146	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR1146	NP(=O)(OC)SC	C10265926
PADEL_KR1146	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR1146	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR1146	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR1146	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR1146	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR1146	N#CN	C420042
PADEL_KR1146	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1146	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR1146	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR1146	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR1146	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR1146	NC(=O)C=C	C79061
PADEL_KR1146	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1146	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR1146	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_KR1146	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR1146	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR1146	Nc1ccc(cc1)Cl	C106478
PADEL_KR1146	Nc1cc(ccc1OC)C	C120718
PADEL_KR1146	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR1146	Nc1c(ccc(c1)N)C	C95807
PADEL_KR1146	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR1146	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR1146	O=C(c1ccncc1)NN	C54853
PADEL_KR1146	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1146	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1146	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR1146	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_KR1146	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR1146	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR1146	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1146	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1146	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR1146	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR1146	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1146	Nc1cc(ccc1)N	C108452
PADEL_KR1146	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR1146	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1146	C(=O)(N)N	C57136
PADEL_KR1146	NC(=O)OCC	C51796
PADEL_KR1146	Nc1ccc(C)cc1	C106490
PADEL_KR1146	OCCN	C141435
PADEL_KR1146	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR1146	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1146	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1146	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR1146	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1146	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR1146	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1146	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR1146	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR1146	Nc1c(OC)cccc1	C90040
PADEL_KR1146	NC1CCCCC1	C108918
PADEL_KR1146	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR1146	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR1146	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1146	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR1146	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR1146	Nc1cc(C)ccc1N	C496720
PADEL_KR1146	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR1146	C(=O)(N)NO	C127071
PADEL_KR1146	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR1146	Nc1c(N)cccc1	C95545
PADEL_KR1146	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR1146	Nc1c(cccc1)C	C95534
PADEL_KR1146	Nc1c(cccc1C)C	C87627
PADEL_KR1146	Nc1cccc(C)c1	C108441
PADEL_KR1146	Nc1c(CC)cccc1CC	C579668
PADEL_KR1146	Nc1cccc(C)c1N	C2687254
PADEL_KR1146	O=C(N)C(=C)C	C79390
PADEL_KR1146	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1146	Nn1cnnc1	C584134
PADEL_KR1146	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR1146	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR1146	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1146	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1146	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR1146	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1146	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR1146	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR1146	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1146	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR1146	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1146	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1146	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1146	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1146	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1146	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR1146	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR1146	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1146	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1146	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR1146	C(=O)N	C75127
PADEL_KR1146	NCCOCCOCCN	C929599
PADEL_KR1146	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1146	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1146	NCc1cccc(CN)c1	C1477550
PADEL_KR1146	NCCN	C107153
PADEL_KR1146	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR1146	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR1146	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR1146	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR1146	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR1146	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR1146	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR1146	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR1146	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR1146	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR1146	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR1146	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1146	NNc1ccccc1.Cl	C59881
PADEL_KR1146	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR1146	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR1146	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR1146	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR1146	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_KR1146	Nc1ccc(Br)cc1	C106401
PADEL_KR1146	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR1146	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR1146	Nc1ccc(OC)cc1	C104949
PADEL_KR1146	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR1146	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1146	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR1146	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR1146	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1146	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR1146	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1146	NCCCOCCCCCCCC	C15930662
PADEL_KR1146	Nc1cccc(C)n1	C1824813
PADEL_KR1146	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR1146	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR1146	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR1146	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1146	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1146	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1146	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR1146	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR1146	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1146	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_KR1147	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR1147	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1147	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR1147	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR1147	O=[N+](CC)[O-]	C79243
PADEL_KR1147	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR1147	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1147	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR1147	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR1147	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR1147	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR1147	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR1147	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR1147	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR1147	[Na+].[O-]C(=O)CF	C62748
PADEL_KR1147	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR1147	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1147	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR1147	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR1147	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR1147	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR1147	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR1147	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_KR1147	[O-]c1ccccc1.[Na+]	C139026
PADEL_KR1147	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR1147	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR1147	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR1147	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR1147	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR1147	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR1147	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR1147	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR1147	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR1147	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR1147	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_KR1147	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR1147	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_KR1147	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1147	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1147	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1147	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR1147	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR1147	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR1147	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR1147	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR1147	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR1147	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR1147	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR1147	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR1147	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1147	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR1147	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_KR1147	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR1147	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR1147	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR1147	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR1147	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR1147	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR1147	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR1147	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1147	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1147	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1147	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR1147	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1147	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1147	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR1147	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1147	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR1147	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR1147	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR1147	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR1147	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR1147	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1147	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR1147	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR1147	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR1147	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR1147	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1147	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR1147	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1147	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR1147	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR1147	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR1147	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1147	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1147	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR1147	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR1147	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR1147	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1147	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_KR1147	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR1147	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR1147	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR1147	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1147	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR1147	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR1147	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR1147	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR1147	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR1147	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR1147	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR1147	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1147	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR1147	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR1147	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR1147	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1147	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR1147	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR1147	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR1147	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR1147	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR1147	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR1147	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR1147	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR1147	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR1147	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1147	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR1147	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1147	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR1147	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR1147	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR1147	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR1147	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR1147	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR1147	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1147	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR1147	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1147	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR1147	O=N[O-].[Na+]	C7632000
PADEL_KR1147	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR1147	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1147	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1147	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR1147	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR1147	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1147	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1147	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR1147	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1147	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR1147	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1147	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR1147	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR1147	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR1147	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR1147	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR1147	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR1147	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR1147	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1147	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR1147	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR1147	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR1147	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1147	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR1147	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1147	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR1147	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR1147	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR1147	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR1147	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR1147	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR1147	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR1147	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR1147	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1147	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR1147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR1147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR1147	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR1147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR1147	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR1147	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_KR1147	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR1147	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR1147	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1147	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR1147	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1147	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR1147	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1147	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1147	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR1147	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR1147	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR1147	[Na+].[O-][Cl]=O	C7758192
PADEL_KR1147	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR1147	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1147	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR1147	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR1147	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR1147	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR1147	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR1147	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR1147	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR1147	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR1147	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR1147	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1147	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1147	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR1147	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR1147	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR1147	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1147	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR1147	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR1147	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1147	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR1147	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR1147	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1147	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR1147	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR1147	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR1147	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR1147	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1147	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR1147	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1147	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR1147	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR1147	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1147	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1147	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR1147	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR1147	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR1147	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR1147	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1147	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR1147	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR1147	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1147	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR1147	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1147	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1148	C=CCO	C107186
PADEL_KR1148	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR1148	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1148	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR1148	CC(CNCC(C)O)O	C110974
PADEL_KR1148	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1148	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1148	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1148	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1148	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1148	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR1148	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1148	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR1148	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR1148	CN(CCO)C	C108010
PADEL_KR1148	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR1148	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR1148	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1148	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1148	OC(CO)CCl	C96242
PADEL_KR1148	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR1148	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR1148	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR1148	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR1148	COc1ccc(cc1)O	C150765
PADEL_KR1148	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR1148	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1148	OC(=O)c1cccnc1	C59676
PADEL_KR1148	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR1148	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR1148	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR1148	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR1148	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1148	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR1148	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR1148	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR1148	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR1148	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR1148	OCCOCCOCCOCCCC	C143226
PADEL_KR1148	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR1148	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR1148	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR1148	OC(=O)CCCC	C109524
PADEL_KR1148	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR1148	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1148	OCCC	C71238
PADEL_KR1148	OC(C)CN	C78966
PADEL_KR1148	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR1148	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR1148	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR1148	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR1148	O=Cc1ccccc1O	C90028
PADEL_KR1148	Oc1cccc2ccccc12	C90153
PADEL_KR1148	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR1148	ON=C1CCCCC1	C100641
PADEL_KR1148	OCCN1CCNCC1	C103764
PADEL_KR1148	Oc1ccc(Cl)cc1	C106489
PADEL_KR1148	CC(O)CC(C)(C)O	C107415
PADEL_KR1148	C1CCCCC1O	C108930
PADEL_KR1148	C(O)C#CCO	C110656
PADEL_KR1148	CCNCCO	C110736
PADEL_KR1148	CCCCCCO	C111273
PADEL_KR1148	CCCCCCCO	C111706
PADEL_KR1148	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1148	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR1148	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR1148	Oc1ccc(CC)cc1	C123079
PADEL_KR1148	CCCCCCCCCO	C143088
PADEL_KR1148	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR1148	Oc1ccc(CCC)cc1	C645567
PADEL_KR1148	C=CC(=O)OCCO	C818611
PADEL_KR1148	CC/C=C\CCO	C928961
PADEL_KR1148	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR1148	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR1148	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR1148	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR1148	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1148	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR1148	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR1148	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1148	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1148	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR1148	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR1148	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR1148	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR1148	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR1148	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR1148	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1148	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR1148	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR1148	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1148	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1148	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR1148	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1148	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1148	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR1148	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR1148	c1(c(CC)cccc1)O	C90006
PADEL_KR1148	c1c(O)cccc1CC	C620177
PADEL_KR1148	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR1148	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR1148	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1148	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR1148	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1148	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1148	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1148	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1148	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR1148	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1148	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR1148	c1cccc(OC)c1O	C90051
PADEL_KR1148	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR1148	C(=O)(O)C(C)O	C50215
PADEL_KR1148	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR1148	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1148	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1148	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR1148	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR1148	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR1148	C(=O)(O)CCC(=O)O	C110156
PADEL_KR1148	NC(CO)(CO)CO	C77861
PADEL_KR1148	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR1148	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1148	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1148	Cc1cc(O)ccc1	C108394
PADEL_KR1148	OP(=O)(O)O	C7664382
PADEL_KR1148	CC(O)COC	C107982
PADEL_KR1148	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1148	ON=CCCC	C110690
PADEL_KR1148	OCCCCO	C110634
PADEL_KR1148	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR1148	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1148	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR1148	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR1148	OCNC(=O)NCO	C140954
PADEL_KR1148	Cc1c(C)cccc1O	C526750
PADEL_KR1148	Cc1cc(C)cc(O)c1	C108689
PADEL_KR1148	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1148	OCC(C(O)CCC)CC	C94962
PADEL_KR1148	c1c(CO)occ1	C98000
PADEL_KR1148	C(=O)(O)CO	C79141
PADEL_KR1148	C(C)(C)(O)C#N	C75865
PADEL_KR1148	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR1148	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR1148	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR1148	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR1148	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR1148	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR1148	C(=O)(O)C(=O)O	C144627
PADEL_KR1148	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1148	O=C(O)CS	C68111
PADEL_KR1148	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR1148	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1148	OCCc1ccccc1	C60128
PADEL_KR1148	O=C(O)c1ccccc1O	C69727
PADEL_KR1148	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR1148	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR1148	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1148	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR1148	OCCOCCOCCOC	C112356
PADEL_KR1148	OCCOCCOCCOCCO	C112607
PADEL_KR1148	OCC(CO)(CO)CO	C115775
PADEL_KR1148	OC(CCCCCC)C	C123966
PADEL_KR1148	OCC(N)(C)C	C124685
PADEL_KR1148	OCC(C)(C)CO	C126307
PADEL_KR1148	Oc1ccc2ccccc2c1	C135193
PADEL_KR1148	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR1148	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR1148	OC(C)COc1ccccc1	C770354
PADEL_KR1148	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR1148	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR1148	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR1148	OC1CCCCCCCCCCC1	C1724396
PADEL_KR1148	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR1148	OCCOCCC	C2807309
PADEL_KR1148	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1148	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR1148	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR1148	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR1148	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR1148	CC(CO)O	C25322694
PADEL_KR1148	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR1148	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1148	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR1148	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR1148	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR1148	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1148	OCC1OCCC1	C97994
PADEL_KR1148	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1148	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR1148	OC(C)COCCC	C1569013
PADEL_KR1148	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1148	OCC(CCC)CCCCC	C10042598
PADEL_KR1148	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR1148	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR1148	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR1148	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR1148	OC(OCCCC)CC	C29387868
PADEL_KR1148	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR1148	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1148	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR1148	OCn1nc(C)cc1C	C85264331
PADEL_KR1148	OCCSCCCCCCCC	C3547339
PADEL_KR1148	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR1148	OC1CCCC1	C96413
PADEL_KR1148	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1148	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1148	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR1148	O=S(=O)(N)O	C5329146
PADEL_KR1148	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR1148	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR1148	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1148	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR1148	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1148	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1148	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR1148	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR1148	OC(CCCCC)C=C	C3391864
PADEL_KR1148	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR1148	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR1148	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR1148	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR1148	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR1148	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR1148	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1148	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR1148	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR1148	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR1148	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1148	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1148	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR1148	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR1148	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1148	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR1148	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR1148	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR1148	O=C(c1ccccc1O)C	C118934
PADEL_KR1148	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1148	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1148	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR1148	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1148	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1148	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR1148	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR1148	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR1148	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR1148	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR1148	CC(O)COCC	C1569024
PADEL_KR1148	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR1148	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR1148	Oc1ccccc1CN(C)C	C120650
PADEL_KR1148	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR1148	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1148	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1148	OC(CC(C)C)(C)C#C	C107540
PADEL_KR1148	OCC=Cc1ccccc1	C104541
PADEL_KR1148	O=c1ccoc(CC)c1O	C4940118
PADEL_KR1148	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR1148	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1148	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR1148	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR1148	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR1148	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR1148	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR1148	N#Cc1c(O)cccc1	C611201
PADEL_KR1148	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR1148	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1148	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1148	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1148	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1148	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR1148	OP(OCC)OCC	C762049
PADEL_KR1148	OCCOCC(CC)CCCC	C1559359
PADEL_KR1148	OCCN(CC)CCO	C139877
PADEL_KR1148	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR1148	O=C(CF)O	C144490
PADEL_KR1148	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR1148	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR1148	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR1148	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR1148	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR1148	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR1148	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR1148	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1148	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR1148	OC(C)C(=O)OCCCC	C138227
PADEL_KR1148	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1148	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR1148	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR1148	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR1148	Oc1c(OCC)cccc1	C94713
PADEL_KR1148	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR1148	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR1148	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1148	OC(CO)c1ccccc1	C93561
PADEL_KR1148	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR1148	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR1148	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR1148	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR1148	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1148	Oc1c(C(C)C)cccc1	C88697
PADEL_KR1148	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR1148	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1148	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1148	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR1148	OCC(CCCC)CCCCCC	C3913028
PADEL_KR1148	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1148	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR1148	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1148	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR1148	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR1148	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR1148	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1148	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1148	OCCOCC(C)OCCO	C9003116
PADEL_KR1148	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR1148	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1148	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1148	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR1148	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR1148	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR1148	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR1148	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR1148	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR1148	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR1148	OC1CCC(CCCC)CC1	C70568604
PADEL_KR1148	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR1148	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1148	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR1148	OB(O)O	C10043353
PADEL_KR1148	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR1148	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1148	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1148	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1148	C[As](=O)(C)O	C75605
PADEL_KR1148	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR1148	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR1148	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR1148	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_KR1148	c1ccccc1OCCO	C122996
PADEL_KR1148	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR1148	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1148	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1148	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR1148	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR1148	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1148	ClCCP(=O)(O)O	C16672870
PADEL_KR1148	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1148	OCCOC	C109864
PADEL_KR1148	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1148	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1148	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1148	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR1148	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1148	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR1148	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR1148	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR1148	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1148	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1148	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR1148	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR1148	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1148	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1148	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR1148	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR1148	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1148	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR1148	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR1148	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR1148	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR1148	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1148	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1148	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR1148	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1148	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1148	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1148	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR1148	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR1148	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1148	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1148	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1148	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1148	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1148	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR1148	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1148	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR1148	OC(=O)c1ccccc1	C65850
PADEL_KR1148	OCc1ccccc1	C100516
PADEL_KR1148	OCC(CO)(CBr)CBr	C3296900
PADEL_KR1148	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR1148	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1148	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1148	Oc1c(cccc1)O	C120809
PADEL_KR1148	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR1148	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR1148	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1148	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1148	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR1148	OC(=O)C(Cl)Cl	C79436
PADEL_KR1148	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1148	OCCOCCO	C111466
PADEL_KR1148	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1148	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR1148	C(CO)O	C107211
PADEL_KR1148	CCC(CCCC)CO	C104767
PADEL_KR1148	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR1148	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR1148	OCC(O)CO	C56815
PADEL_KR1148	OCC1CO1	C556525
PADEL_KR1148	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR1148	Oc1ccc(cc1)O	C123319
PADEL_KR1148	Oc1cccc2cccnc12	C148243
PADEL_KR1148	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1148	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR1148	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1148	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1148	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR1148	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1148	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1148	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR1148	Oc1ccccc1	C108952
PADEL_KR1148	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1148	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR1148	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1148	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR1148	CC(CO)O	C57556
PADEL_KR1148	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR1148	Oc1cc(ccc1)O	C108463
PADEL_KR1148	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR1148	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1148	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1148	OC(=O)C=CC=CC	C110441
PADEL_KR1148	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR1148	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1148	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1148	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1148	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR1148	OCCN(CCO)CCO	C102716
PADEL_KR1148	OCCOCCOCCO	C112276
PADEL_KR1148	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1148	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1148	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1148	OC(=O)CCC	C107926
PADEL_KR1148	CCCCOCCOCCO	C112345
PADEL_KR1148	Oc1ccccc1Cl	C95578
PADEL_KR1148	CCCCCCCCCC(=O)O	C334485
PADEL_KR1148	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1148	O=C(O)CCCCCC	C111148
PADEL_KR1148	OC(=O)CCCCC(=O)O	C124049
PADEL_KR1148	CCCCCC(=O)O	C142621
PADEL_KR1148	CCCCCCCCC(=O)O	C112050
PADEL_KR1148	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR1148	CCCCCCCC(=O)O	C124072
PADEL_KR1148	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR1148	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1148	Oc1c(C)cccc1	C95487
PADEL_KR1148	CCC(=NO)C	C96297
PADEL_KR1148	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR1148	CCN(CCO)CC	C100378
PADEL_KR1148	Oc1c(C)cc(C)cc1	C105679
PADEL_KR1148	Oc1ccc(C)cc1	C106445
PADEL_KR1148	ClCCO	C107073
PADEL_KR1148	OCCNCCO	C111422
PADEL_KR1148	CCCCCCCCO	C111875
PADEL_KR1148	CCOCCOCCO	C111900
PADEL_KR1148	CCCCCCCCCCO	C112301
PADEL_KR1148	CCCCCCCCCCCCCO	C112709
PADEL_KR1148	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR1148	OCCN	C141435
PADEL_KR1148	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR1148	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR1148	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR1148	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR1148	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR1148	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR1148	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR1148	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1148	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1148	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1148	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1148	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR1148	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR1148	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR1148	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1148	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR1148	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR1148	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR1148	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1148	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR1148	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1148	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR1148	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR1148	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR1148	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR1148	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR1148	Oc1cc(C)c(C)cc1	C95658
PADEL_KR1148	Oc1c(cccc1C)C	C576261
PADEL_KR1148	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR1148	CCOCCO	C110805
PADEL_KR1148	CCCCOCCO	C111762
PADEL_KR1148	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR1148	OCCOCCOCCOCC	C112505
PADEL_KR1148	ON=CC(C)(C)SC	C1646759
PADEL_KR1148	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR1148	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1148	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR1148	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR1148	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR1148	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR1148	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR1148	OC(CCl)CCl	C96231
PADEL_KR1148	O(CCOC)CCO	C111773
PADEL_KR1148	Oc1c(ccc(C)c1)C	C95874
PADEL_KR1148	O=C(O)C(CCCC)CC	C149575
PADEL_KR1148	C(=O)(N)NO	C127071
PADEL_KR1148	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR1148	o1c(C)c(O)c(=O)cc1	C118718
PADEL_KR1148	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1148	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR1148	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1148	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1148	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1148	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1148	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR1148	OCCC(C)CCC=C(C)C	C106229
PADEL_KR1148	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR1148	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR1148	OCCC(O)C	C107880
PADEL_KR1148	OC(CC(C)C)C	C108112
PADEL_KR1148	OCCOCCCCCC	C112254
PADEL_KR1148	OCCCCCCCCCCC	C112425
PADEL_KR1148	OCCCCCCCCCCCC	C112538
PADEL_KR1148	OCCCCCCCCCCCCCC	C112721
PADEL_KR1148	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1148	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR1148	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1148	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR1148	OCCCCCCCCCCCCCCC	C629765
PADEL_KR1148	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR1148	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR1148	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1148	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR1148	OC(OC(O)CC)CC	C25265718
PADEL_KR1148	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR1148	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR1148	OC(OCCCOC)CC	C34590948
PADEL_KR1148	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR1148	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1148	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR1148	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR1148	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR1148	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR1148	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR1148	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR1148	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1148	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1148	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR1148	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR1148	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR1148	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR1148	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR1148	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR1148	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1148	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR1148	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR1148	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1148	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1148	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR1148	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR1148	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1148	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR1148	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1148	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR1148	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1148	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR1148	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1148	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1148	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR1148	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1148	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1148	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1148	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1148	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR1148	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1148	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1148	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1148	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1148	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1148	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1148	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1148	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1148	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1148	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR1148	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1148	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1148	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1148	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR1148	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR1148	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1148	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR1148	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1148	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1148	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1148	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1148	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1148	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1148	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR1148	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1148	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1148	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR1148	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1148	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1148	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR1148	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR1148	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR1148	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1148	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1148	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR1148	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1148	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1148	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR1148	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1148	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1148	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1148	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR1148	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR1148	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR1148	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR1148	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR1148	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR1148	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR1148	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1148	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR1148	OCCCBr	C627189
PADEL_KR1148	C(=O)(C)O	C64197
PADEL_KR1148	C(CO)C(C)C	C123513
PADEL_KR1148	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR1148	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1148	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1148	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1148	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1148	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1148	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1148	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1148	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR1148	OCCC(OC)C	C2517433
PADEL_KR1148	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR1148	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR1148	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1148	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR1148	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR1148	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR1148	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR1148	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR1148	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR1148	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR1148	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1148	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR1148	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1148	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR1148	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1148	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR1148	CC(=O)C(=O)O	C127173
PADEL_KR1148	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1148	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR1148	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR1148	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR1148	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR1148	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR1148	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR1148	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR1148	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1148	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR1148	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1148	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR1148	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1148	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1148	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1148	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR1148	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1148	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR1148	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR1148	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1148	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR1148	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR1148	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR1148	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR1148	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR1148	OCC=C(C)C	C556821
PADEL_KR1148	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1148	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1148	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR1148	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR1148	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1148	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR1148	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR1148	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR1148	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1148	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR1148	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR1148	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR1148	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR1148	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR1148	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR1148	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR1148	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR1148	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1148	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1148	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR1148	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR1148	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR1148	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1148	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1148	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR1148	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR1148	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR1148	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1148	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1148	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1148	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR1148	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1148	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1148	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR1148	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1148	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR1148	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR1148	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1148	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1148	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR1148	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR1148	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1148	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1148	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR1148	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1148	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1148	O=C(OCCCCO)C=C	C2478106
PADEL_KR1148	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR1148	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1148	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR1148	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR1148	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR1148	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR1148	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1148	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR1148	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1148	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR1148	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR1148	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1148	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1148	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1148	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1148	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR1148	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR1148	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR1148	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1148	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1148	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR1148	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR1148	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR1148	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR1148	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1149	C(CCCCCC)CCCCCS	C112550
PADEL_KR1149	O=C(O)CS	C68111
PADEL_KR1149	Sc1ccccc1	C108985
PADEL_KR1149	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR1149	SC(C)(C)CCCCCC	C25360105
PADEL_KR1149	Sc1ccc(C)cc1	C106456
PADEL_KR1149	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1149	Sc1nc2c(cccc2)s1	C149304
PADEL_KR1149	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR1149	SC1CCCC1	C1679078
PADEL_KR1150	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1150	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1150	BrCCBr	C106934
PADEL_KR1150	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR1150	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR1150	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR1150	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR1150	Brc1ccc(F)cc1	C460004
PADEL_KR1150	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR1150	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR1150	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR1150	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR1150	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1150	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR1150	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR1150	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1150	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR1150	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR1150	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR1150	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR1150	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR1150	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR1150	OCC(CO)(CBr)CBr	C3296900
PADEL_KR1150	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR1150	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR1150	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1150	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1150	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR1150	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1150	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1150	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR1150	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR1150	N#CC(Br)Br	C3252435
PADEL_KR1150	OCCCBr	C627189
PADEL_KR1150	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1150	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1150	Nc1ccc(Br)cc1	C106401
PADEL_KR1150	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR1150	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1150	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1150	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR1150	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR1150	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR1150	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1150	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1150	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR1150	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1150	BrCCCCCCCCCCCC	C143157
PADEL_KR1150	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1150	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1151	C(O)C#CCO	C110656
PADEL_KR1151	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1151	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR1151	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1151	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR1151	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1151	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR1153	C=CC#N	C107131
PADEL_KR1153	NC(=N)NC#N	C461585
PADEL_KR1153	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1153	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR1153	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1153	N#CCC#N	C109773
PADEL_KR1153	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR1153	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1153	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR1153	CC(=C)C#N	C126987
PADEL_KR1153	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR1153	C(C)(C)(O)C#N	C75865
PADEL_KR1153	N#CC(CCC#N)C	C4553622
PADEL_KR1153	N#CC(C)C	C78820
PADEL_KR1153	N#C[S-].[NH4+]	C1762954
PADEL_KR1153	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR1153	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1153	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR1153	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR1153	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1153	N#Cc1c(O)cccc1	C611201
PADEL_KR1153	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR1153	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR1153	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR1153	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR1153	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1153	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1153	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR1153	C(SC#N)SC#N	C6317186
PADEL_KR1153	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR1153	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR1153	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR1153	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR1153	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR1153	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR1153	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1153	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR1153	N#CN	C420042
PADEL_KR1153	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR1153	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR1153	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR1153	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR1153	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1153	N#CCCCCC#N	C111693
PADEL_KR1153	N#Cc1cnccc1	C100549
PADEL_KR1153	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1153	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1153	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1153	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1153	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR1153	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1153	N#CC(Br)Br	C3252435
PADEL_KR1153	N#Cc1ccccc1	C100470
PADEL_KR1153	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR1153	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR1153	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR1153	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1153	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_KR1153	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR1153	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR1153	N#CSCCCCCCCCCCCC	C765151
PADEL_KR1153	N#C[Au-]C#N.[K+]	C13967505
PADEL_KR1153	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR1153	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1153	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR1153	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1154	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1154	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1154	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1154	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1154	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR1154	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1154	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR1154	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR1154	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1154	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR1154	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR1154	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1154	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR1154	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1154	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1154	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1154	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR1154	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR1154	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR1154	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR1154	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR1154	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR1154	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR1154	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR1154	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR1154	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR1154	CC(O)CC(C)(C)O	C107415
PADEL_KR1154	O=C(OC(C)(C)C)C	C540885
PADEL_KR1154	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR1154	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR1154	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1154	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1154	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR1154	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR1154	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR1154	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1154	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1154	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR1154	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR1154	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR1154	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1154	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1154	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1154	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR1154	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1154	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR1154	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR1154	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1154	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1154	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR1154	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR1154	NC(CO)(CO)CO	C77861
PADEL_KR1154	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR1154	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR1154	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR1154	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR1154	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR1154	C(C)(C)(C)N	C75649
PADEL_KR1154	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1154	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR1154	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR1154	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1154	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR1154	C(C)(C)(O)C#N	C75865
PADEL_KR1154	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR1154	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR1154	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1154	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR1154	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR1154	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR1154	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1154	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR1154	OCC(CO)(CO)CO	C115775
PADEL_KR1154	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR1154	OCC(N)(C)C	C124685
PADEL_KR1154	OCC(C)(C)CO	C126307
PADEL_KR1154	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1154	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR1154	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1154	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1154	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR1154	SC(C)(C)CCCCCC	C25360105
PADEL_KR1154	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1154	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1154	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR1154	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR1154	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1154	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR1154	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR1154	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR1154	ClC(Cl)(C)C	C594207
PADEL_KR1154	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1154	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR1154	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1154	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR1154	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1154	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR1154	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1154	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR1154	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1154	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR1154	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1154	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1154	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR1154	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1154	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR1154	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR1154	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1154	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1154	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1154	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1154	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR1154	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1154	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR1154	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1154	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1154	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR1154	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR1154	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1154	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR1154	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR1154	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR1154	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1154	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR1154	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR1154	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR1154	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR1154	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR1154	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1154	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1154	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1154	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1154	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR1154	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1154	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR1154	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1154	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1154	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1154	OC(CC(C)C)(C)C#C	C107540
PADEL_KR1154	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1154	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1154	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1154	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR1154	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR1154	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR1154	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR1154	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR1154	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1154	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR1154	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR1154	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR1154	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1154	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR1154	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR1154	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR1154	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1154	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR1154	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1154	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1154	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR1154	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1154	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1154	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1154	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1154	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1154	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR1154	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1154	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR1154	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1154	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1154	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1154	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1154	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1154	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR1154	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR1154	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1154	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1154	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR1154	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR1154	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR1154	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR1154	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR1154	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR1154	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1154	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1154	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1154	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR1154	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1154	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR1154	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR1154	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1154	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1154	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1154	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1154	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1154	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1154	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR1154	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR1154	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR1154	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR1154	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR1154	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR1154	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1154	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1154	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR1154	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1154	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR1154	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR1154	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR1154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR1154	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR1154	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR1154	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1154	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR1154	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1154	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR1154	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR1154	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR1154	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1154	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR1154	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR1154	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR1154	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1154	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR1154	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR1154	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR1154	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1154	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1154	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR1154	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR1154	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR1154	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR1154	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1154	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR1154	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1154	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1154	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1154	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR1154	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1154	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR1154	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1154	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1154	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR1154	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR1154	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1154	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1154	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1154	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1154	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR1154	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1154	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR1154	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1154	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1154	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1154	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR1154	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1154	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR1154	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1154	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1154	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1154	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR1154	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR1154	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1154	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1154	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1154	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1154	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1154	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1154	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR1154	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1154	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR1154	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR1154	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR1154	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1154	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR1154	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR1154	OCC(CO)(CBr)CBr	C3296900
PADEL_KR1154	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1154	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1154	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR1154	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR1154	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR1154	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1154	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR1154	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1154	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR1154	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR1154	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR1154	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR1154	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR1154	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR1154	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR1154	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR1154	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR1154	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1154	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR1154	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1154	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1154	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1154	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1154	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR1154	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1154	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR1154	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1154	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1154	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1154	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1154	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR1154	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1154	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1154	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1154	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR1154	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1154	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1154	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR1154	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR1154	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR1154	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR1154	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1154	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR1154	ON=CC(C)(C)SC	C1646759
PADEL_KR1154	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR1154	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1154	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR1154	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR1154	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR1154	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR1154	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR1154	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1154	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1154	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1154	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1154	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1154	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR1154	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1154	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR1154	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR1154	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1154	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR1154	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR1154	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR1154	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1154	CCC12N(COC1)COC2	C7747355
PADEL_KR1154	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR1154	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1154	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1154	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR1154	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR1154	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR1154	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR1154	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1154	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1154	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1154	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1154	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR1154	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1154	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR1154	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR1154	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR1154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR1154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR1154	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR1154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR1154	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR1154	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR1154	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR1154	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1154	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1154	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR1154	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1154	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR1154	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR1154	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR1154	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1154	CC(C)(C)c1ccccc1	C98066
PADEL_KR1154	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1154	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1154	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR1154	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1154	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1154	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR1154	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1154	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1154	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1154	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1154	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1154	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1154	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1154	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1154	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1154	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1154	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1154	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1154	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR1154	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR1154	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1154	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1154	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1154	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1154	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1154	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1154	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1154	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1154	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR1154	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1154	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1154	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1154	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1154	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1154	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1154	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR1154	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR1154	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1154	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1154	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1154	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR1154	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1154	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1154	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1154	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR1154	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR1154	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR1154	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR1154	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR1154	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1154	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR1154	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1154	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1154	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR1154	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR1154	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1154	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR1154	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1154	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1154	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR1154	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR1154	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1154	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1154	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR1154	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR1154	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR1154	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR1154	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1154	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR1154	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR1154	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1154	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR1154	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1154	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR1154	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR1154	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR1154	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1154	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR1154	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR1154	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1154	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR1154	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR1154	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1154	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR1154	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1154	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR1154	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1154	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR1154	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR1154	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR1154	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR1154	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR1154	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1154	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1154	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR1154	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR1154	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1154	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR1154	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR1154	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1154	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1154	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR1154	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1154	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1154	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1154	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR1154	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR1154	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR1154	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1154	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1154	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1154	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR1154	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1154	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR1154	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1154	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1154	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR1154	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1154	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1154	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR1154	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR1154	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1154	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR1154	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1154	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR1154	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR1154	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR1154	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1154	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1154	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR1154	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR1154	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR1154	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR1154	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1154	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR1154	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1154	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1154	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1154	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1154	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR1154	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1154	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1154	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1154	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR1154	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR1154	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR1154	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR1154	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1154	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR1154	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1155	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1155	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR1155	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1155	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1155	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR1155	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1155	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1155	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1155	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1155	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1155	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1155	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1155	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1155	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1155	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1155	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1155	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1155	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1155	CCC12N(COC1)COC2	C7747355
PADEL_KR1155	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR1155	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1155	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1155	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR1156	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1156	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1156	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1156	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR1156	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR1156	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR1156	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1156	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR1156	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR1156	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1156	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR1156	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1156	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1156	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1156	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR1156	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR1156	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR1156	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR1156	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR1156	CC(O)CC(C)(C)O	C107415
PADEL_KR1156	O=C(OC(C)(C)C)C	C540885
PADEL_KR1156	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR1156	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR1156	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1156	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR1156	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR1156	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR1156	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1156	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1156	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR1156	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR1156	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1156	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1156	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1156	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR1156	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1156	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR1156	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1156	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1156	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR1156	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR1156	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR1156	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR1156	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR1156	C(C)(C)(C)N	C75649
PADEL_KR1156	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1156	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR1156	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1156	C(C)(C)(O)C#N	C75865
PADEL_KR1156	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR1156	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR1156	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1156	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR1156	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR1156	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1156	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR1156	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR1156	OCC(N)(C)C	C124685
PADEL_KR1156	OCC(C)(C)CO	C126307
PADEL_KR1156	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR1156	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1156	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1156	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR1156	SC(C)(C)CCCCCC	C25360105
PADEL_KR1156	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1156	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1156	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR1156	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR1156	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1156	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR1156	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR1156	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR1156	ClC(Cl)(C)C	C594207
PADEL_KR1156	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1156	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR1156	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1156	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR1156	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1156	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1156	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR1156	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1156	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1156	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR1156	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1156	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR1156	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR1156	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1156	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1156	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1156	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1156	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR1156	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1156	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1156	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR1156	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1156	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1156	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR1156	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR1156	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1156	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1156	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1156	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1156	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR1156	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1156	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR1156	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1156	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1156	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1156	OC(CC(C)C)(C)C#C	C107540
PADEL_KR1156	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1156	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1156	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1156	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR1156	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR1156	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR1156	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR1156	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR1156	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR1156	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR1156	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1156	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR1156	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR1156	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR1156	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1156	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1156	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR1156	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1156	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1156	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1156	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1156	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1156	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR1156	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1156	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR1156	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1156	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1156	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1156	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1156	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1156	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR1156	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1156	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1156	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1156	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR1156	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1156	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1156	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1156	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1156	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR1156	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR1156	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1156	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1156	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1156	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR1156	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR1156	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR1156	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1156	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1156	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR1156	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1156	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1156	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1156	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR1156	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1156	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR1156	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1156	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1156	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR1156	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1156	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR1156	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1156	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1156	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1156	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1156	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR1156	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR1156	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1156	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1156	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1156	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1156	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1156	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1156	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1156	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR1156	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1156	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR1156	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR1156	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1156	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1156	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1156	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR1156	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1156	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR1156	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR1156	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1156	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1156	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1156	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR1156	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1156	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1156	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1156	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR1156	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1156	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1156	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR1156	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1156	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1156	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR1156	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR1156	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR1156	ON=CC(C)(C)SC	C1646759
PADEL_KR1156	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1156	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR1156	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR1156	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR1156	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR1156	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR1156	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1156	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1156	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1156	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1156	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1156	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1156	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR1156	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR1156	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1156	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR1156	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR1156	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1156	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1156	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1156	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1156	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR1156	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR1156	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR1156	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1156	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1156	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR1156	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1156	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR1156	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1156	CC(C)(C)c1ccccc1	C98066
PADEL_KR1156	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1156	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1156	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1156	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1156	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1156	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1156	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1156	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1156	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1156	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1156	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1156	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1156	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1156	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR1156	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1156	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR1156	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR1156	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR1156	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR1156	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1156	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR1156	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR1156	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1156	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR1156	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR1156	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR1156	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1156	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR1156	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1156	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1156	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1156	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR1156	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR1156	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR1156	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR1156	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1156	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR1156	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1156	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1156	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR1156	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1156	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR1156	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR1156	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1156	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1156	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1156	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1156	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1156	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR1156	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR1156	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR1156	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR1156	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1156	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1156	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1156	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR1156	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1156	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1156	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1156	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR1156	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR1156	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR1156	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1156	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR1157	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1157	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1157	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR1157	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1157	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR1157	CC(O)CC(C)(C)O	C107415
PADEL_KR1157	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR1157	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1157	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1157	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR1157	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1157	C(C)(C)(O)C#N	C75865
PADEL_KR1157	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR1157	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1157	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1157	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1157	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1157	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1157	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR1157	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR1157	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1157	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1157	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1157	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1157	OC(CC(C)C)(C)C#C	C107540
PADEL_KR1157	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1157	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR1157	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1157	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1157	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1157	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1157	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR1157	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1157	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR1157	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1157	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1157	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1157	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR1157	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1157	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR1157	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR1157	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1157	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1157	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1157	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1157	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1157	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1157	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1157	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1157	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR1157	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1157	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1157	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1157	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1157	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1157	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1157	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1157	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1157	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1157	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1157	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR1157	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR1157	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1157	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1157	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR1157	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR1157	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR1157	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1157	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1157	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1157	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR1157	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1157	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1157	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1157	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR1157	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR1158	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1158	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1158	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1158	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR1158	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR1158	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1158	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR1158	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR1158	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR1158	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1158	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR1158	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR1158	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1158	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR1158	CC(C)(C)c1ccccc1	C98066
PADEL_KR1158	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1158	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1158	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1158	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR1158	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR1159	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1159	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1159	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1159	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1159	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1159	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1159	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1159	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1159	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1159	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1159	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1159	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1159	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1159	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1159	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1159	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1160	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1160	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1160	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1160	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1160	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR1160	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1160	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1160	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR1160	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR1160	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR1160	CC(O)CC(C)(C)O	C107415
PADEL_KR1160	O=C(OC(C)(C)C)C	C540885
PADEL_KR1160	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR1160	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1160	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1160	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1160	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR1160	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR1160	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR1160	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR1160	C(C)(C)(C)N	C75649
PADEL_KR1160	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1160	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR1160	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1160	C(C)(C)(O)C#N	C75865
PADEL_KR1160	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR1160	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1160	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR1160	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR1160	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1160	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR1160	OCC(N)(C)C	C124685
PADEL_KR1160	OCC(C)(C)CO	C126307
PADEL_KR1160	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR1160	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1160	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1160	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR1160	SC(C)(C)CCCCCC	C25360105
PADEL_KR1160	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR1160	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR1160	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1160	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR1160	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR1160	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR1160	ClC(Cl)(C)C	C594207
PADEL_KR1160	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR1160	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1160	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR1160	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1160	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1160	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR1160	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1160	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1160	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1160	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1160	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1160	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR1160	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1160	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1160	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1160	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR1160	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR1160	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1160	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1160	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1160	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR1160	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1160	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1160	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1160	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1160	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1160	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR1160	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR1160	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR1160	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR1160	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR1160	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR1160	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1160	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR1160	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1160	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1160	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR1160	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1160	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1160	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1160	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1160	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1160	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1160	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1160	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1160	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR1160	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1160	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1160	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR1160	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1160	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1160	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR1160	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR1160	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1160	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1160	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR1160	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR1160	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR1160	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1160	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1160	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR1160	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1160	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1160	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR1160	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1160	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR1160	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1160	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR1160	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1160	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR1160	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1160	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1160	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1160	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR1160	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1160	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1160	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1160	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR1160	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1160	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR1160	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR1160	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1160	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1160	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1160	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR1160	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1160	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR1160	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR1160	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR1160	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1160	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR1160	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1160	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR1160	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1160	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR1160	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR1160	ON=CC(C)(C)SC	C1646759
PADEL_KR1160	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1160	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR1160	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR1160	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR1160	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR1160	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR1160	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1160	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1160	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1160	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1160	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1160	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR1160	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR1160	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1160	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR1160	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR1160	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1160	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1160	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1160	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1160	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR1160	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR1160	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1160	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR1160	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1160	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1160	CC(C)(C)c1ccccc1	C98066
PADEL_KR1160	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1160	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1160	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1160	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1160	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1160	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1160	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1160	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1160	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1160	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1160	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1160	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1160	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1160	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR1160	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR1160	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1160	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1160	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR1160	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1160	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1160	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1160	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR1160	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1160	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR1160	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1160	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1160	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR1160	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR1160	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1160	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1160	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1160	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1160	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1160	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR1160	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR1160	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR1160	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR1160	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1160	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1160	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1160	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR1160	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1160	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR1160	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1161	CC(O)CC(C)(C)O	C107415
PADEL_KR1161	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR1161	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1161	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1161	C(C)(C)(O)C#N	C75865
PADEL_KR1161	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR1161	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR1161	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1161	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1161	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1161	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR1161	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR1161	OC(CC(C)C)(C)C#C	C107540
PADEL_KR1161	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR1161	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR1161	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR1161	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1161	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1161	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1161	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1161	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR1161	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1161	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1161	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1161	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1161	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1161	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1161	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1161	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1161	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1161	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR1161	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR1165	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR1165	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR1165	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR1165	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1165	ClC(Cl)(C)C	C594207
PADEL_KR1165	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR1165	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR1165	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR1165	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR1165	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR1165	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1165	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR1165	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR1165	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR1165	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1165	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR1165	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR1165	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR1165	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR1165	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR1165	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR1165	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR1165	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR1165	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR1165	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR1165	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR1165	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR1165	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR1165	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1165	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1165	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR1165	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR1165	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR1165	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1165	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR1165	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR1165	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR1165	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR1166	CC(O)CC(C)(C)O	C107415
PADEL_KR1169	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR1169	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1169	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR1169	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1169	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1169	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1169	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1169	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1170	OCC(N)(C)C	C124685
PADEL_KR1170	OCC(C)(C)CO	C126307
PADEL_KR1171	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1171	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1171	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1173	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1173	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1173	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1173	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR1173	O=C(OC(C)(C)C)C	C540885
PADEL_KR1173	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR1173	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1173	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1173	C(C)(C)(C)N	C75649
PADEL_KR1173	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1173	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1173	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR1173	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1173	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1173	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR1173	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR1173	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1173	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1173	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1173	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1173	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1173	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1173	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR1173	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1173	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1173	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR1173	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1173	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1173	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1173	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1173	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1173	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1173	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1173	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR1173	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR1173	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1173	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1173	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR1173	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR1173	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1173	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR1173	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1173	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1173	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1173	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1173	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR1173	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1173	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1173	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1173	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1173	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1173	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1173	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1173	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1173	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1173	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR1173	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR1173	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1173	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1173	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1173	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR1173	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1173	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR1173	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1173	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1173	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR1173	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1173	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1173	CC(C)(C)c1ccccc1	C98066
PADEL_KR1173	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1173	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1173	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1173	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1173	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1173	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1173	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1173	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1173	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR1173	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1173	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1173	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1173	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1173	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1173	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1178	O=C(C=C(C)C)C	C141797
PADEL_KR1179	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR1180	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR1181	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR1184	ON=C1CCCCC1	C100641
PADEL_KR1184	CCC(=NO)C	C96297
PADEL_KR1184	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1186	CCC(=NO)C	C96297
PADEL_KR1187	CCC(=NO)C	C96297
PADEL_KR1190	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR1192	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR1192	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR1193	CC(=O)N	C60355
PADEL_KR1193	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR1193	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR1193	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR1193	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1193	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR1193	CC(=O)OCc1ccccc1	C140114
PADEL_KR1193	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR1193	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1193	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1193	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1193	O=C1CCCCC1	C108941
PADEL_KR1193	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR1193	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR1193	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1193	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR1193	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR1193	CN(C)C(=O)C	C127195
PADEL_KR1193	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1193	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1193	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1193	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1193	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1193	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR1193	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR1193	NC(=O)OC	C598550
PADEL_KR1193	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR1193	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1193	NC(=O)c1cccnc1	C98920
PADEL_KR1193	OC(=O)c1cccnc1	C59676
PADEL_KR1193	CN(C(=O)N)N=O	C684935
PADEL_KR1193	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR1193	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR1193	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR1193	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR1193	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR1193	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR1193	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1193	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR1193	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR1193	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR1193	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR1193	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR1193	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR1193	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR1193	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR1193	OC(=O)CCCC	C109524
PADEL_KR1193	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR1193	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1193	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR1193	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR1193	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR1193	CCCC(=O)C	C107879
PADEL_KR1193	CCCCCC(=O)C	C110430
PADEL_KR1193	CCCCCCCCCC(=O)C	C112129
PADEL_KR1193	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1193	CCCCCC(=O)OCC	C123660
PADEL_KR1193	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR1193	O=C(OC(C)(C)C)C	C540885
PADEL_KR1193	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR1193	C=CC(=O)OCCO	C818611
PADEL_KR1193	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR1193	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR1193	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1193	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR1193	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR1193	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1193	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR1193	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1193	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1193	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR1193	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR1193	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR1193	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1193	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1193	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1193	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR1193	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR1193	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1193	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR1193	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR1193	C(=O)(O)C(C)O	C50215
PADEL_KR1193	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1193	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1193	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR1193	C(=O)(O)CCC(=O)O	C110156
PADEL_KR1193	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR1193	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1193	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR1193	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR1193	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1193	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1193	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1193	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1193	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR1193	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR1193	[Na+].[O-]C(=O)CF	C62748
PADEL_KR1193	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR1193	O=C(N)N=NC(=O)N	C123773
PADEL_KR1193	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1193	O=C(OCCCC)C=C	C141322
PADEL_KR1193	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR1193	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR1193	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1193	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR1193	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR1193	OCNC(=O)NCO	C140954
PADEL_KR1193	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR1193	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR1193	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR1193	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR1193	C(=O)(O)CO	C79141
PADEL_KR1193	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR1193	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR1193	O(C(C)C)C(=O)C	C108214
PADEL_KR1193	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR1193	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR1193	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR1193	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR1193	C(=O)(O)C(=O)O	C144627
PADEL_KR1193	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR1193	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1193	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR1193	O=C(O)CS	C68111
PADEL_KR1193	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR1193	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR1193	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1193	O=C(O)c1ccccc1O	C69727
PADEL_KR1193	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR1193	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR1193	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR1193	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR1193	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR1193	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR1193	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1193	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR1193	O=C1OCC(C)O1	C108327
PADEL_KR1193	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR1193	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR1193	O=C(OC)CCCCCCCCC	C110429
PADEL_KR1193	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR1193	O=C(C)OCCOC(=O)C	C111557
PADEL_KR1193	O=C(C)OCCOCCCC	C112072
PADEL_KR1193	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR1193	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR1193	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR1193	O=C1NCCC1	C616455
PADEL_KR1193	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR1193	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR1193	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR1193	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR1193	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR1193	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR1193	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR1193	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR1193	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR1193	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1193	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR1193	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR1193	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR1193	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR1193	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR1193	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR1193	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR1193	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR1193	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1193	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR1193	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR1193	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR1193	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1193	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR1193	O=C1CCCC1	C120923
PADEL_KR1193	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR1193	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR1193	O=C(C=C(C)C)C	C141797
PADEL_KR1193	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR1193	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR1193	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR1193	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR1193	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR1193	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR1193	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR1193	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR1193	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR1193	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR1193	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR1193	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR1193	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR1193	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1193	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1193	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1193	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR1193	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR1193	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR1193	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1193	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR1193	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR1193	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1193	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR1193	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1193	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR1193	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1193	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR1193	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR1193	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1193	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR1193	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR1193	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR1193	O=C1OC(CCCCC)CC1	C104610
PADEL_KR1193	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1193	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR1193	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1193	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1193	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1193	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR1193	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR1193	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR1193	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1193	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR1193	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR1193	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR1193	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR1193	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1193	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1193	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR1193	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR1193	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR1193	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1193	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR1193	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR1193	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR1193	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1193	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR1193	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1193	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR1193	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1193	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1193	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR1193	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR1193	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR1193	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR1193	O=C(CC)OCC	C105373
PADEL_KR1193	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR1193	O=C(c1ccccc1O)C	C118934
PADEL_KR1193	O=C1OCC(CC)O1	C4437858
PADEL_KR1193	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR1193	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR1193	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR1193	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1193	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR1193	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR1193	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR1193	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1193	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR1193	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR1193	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR1193	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1193	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR1193	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR1193	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR1193	O=C1CCC(O1)CC	C695067
PADEL_KR1193	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR1193	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR1193	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR1193	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR1193	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR1193	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1193	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR1193	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR1193	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR1193	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR1193	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR1193	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1193	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1193	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1193	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR1193	O=C(CCC)OCCCCC	C540181
PADEL_KR1193	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR1193	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR1193	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR1193	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR1193	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR1193	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR1193	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1193	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR1193	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1193	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1193	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR1193	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR1193	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR1193	O=C(CC)CCCCC	C106683
PADEL_KR1193	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1193	O=C(CF)O	C144490
PADEL_KR1193	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR1193	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR1193	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR1193	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR1193	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR1193	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR1193	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1193	OC(C)C(=O)OCCCC	C138227
PADEL_KR1193	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR1193	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR1193	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1193	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR1193	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR1193	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR1193	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR1193	O=C(N)Nc1ccccc1	C64108
PADEL_KR1193	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR1193	O=C(C)OCCCCCCCC	C112141
PADEL_KR1193	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1193	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR1193	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR1193	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR1193	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1193	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR1193	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1193	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR1193	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR1193	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR1193	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR1193	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR1193	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR1193	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR1193	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR1193	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1193	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR1193	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR1193	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR1193	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR1193	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR1193	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR1193	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR1193	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1193	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1193	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR1193	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR1193	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR1193	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR1193	O=C1OC(CCC)CC1	C105215
PADEL_KR1193	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR1193	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1193	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1193	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR1193	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR1193	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR1193	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR1193	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR1193	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR1193	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR1193	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR1193	O=C1CCC(CCC)CC1	C40649363
PADEL_KR1193	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR1193	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR1193	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR1193	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR1193	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR1193	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1193	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR1193	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR1193	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1193	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1193	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR1193	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR1193	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR1193	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR1193	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1193	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1193	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1193	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1193	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR1193	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR1193	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR1193	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1193	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR1193	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR1193	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR1193	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR1193	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR1193	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR1193	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR1193	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR1193	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1193	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR1193	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR1193	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR1193	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1193	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR1193	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR1193	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1193	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR1193	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR1193	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR1193	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1193	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR1193	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1193	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR1193	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1193	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR1193	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR1193	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR1193	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1193	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1193	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR1193	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1193	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR1193	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1193	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1193	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR1193	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1193	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1193	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR1193	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1193	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR1193	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR1193	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR1193	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1193	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR1193	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR1193	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR1193	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR1193	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR1193	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR1193	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1193	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR1193	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR1193	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR1193	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR1193	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR1193	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1193	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR1193	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR1193	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR1193	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR1193	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR1193	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR1193	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR1193	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR1193	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR1193	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR1193	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR1193	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR1193	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR1193	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR1193	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR1193	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR1193	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1193	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1193	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR1193	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR1193	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR1193	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR1193	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR1193	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR1193	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR1193	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR1193	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR1193	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1193	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1193	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1193	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1193	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1193	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR1193	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR1193	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR1193	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR1193	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR1193	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1193	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR1193	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR1193	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1193	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1193	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR1193	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR1193	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR1193	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR1193	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1193	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR1193	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1193	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR1193	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1193	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR1193	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR1193	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR1193	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1193	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1193	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1193	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1193	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR1193	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR1193	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR1193	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1193	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1193	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR1193	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR1193	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR1193	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1193	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR1193	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR1193	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1193	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR1193	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR1193	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1193	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR1193	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1193	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR1193	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR1193	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1193	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR1193	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR1193	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1193	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1193	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR1193	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1193	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1193	NC(=O)C=C	C79061
PADEL_KR1193	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1193	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR1193	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1193	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR1193	OC(=O)c1ccccc1	C65850
PADEL_KR1193	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR1193	O=C1CCCO1	C96480
PADEL_KR1193	O=C1CCCCCN1	C105602
PADEL_KR1193	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR1193	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR1193	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR1193	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1193	O=C(c1ccccc1)CCl	C532274
PADEL_KR1193	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1193	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1193	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR1193	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1193	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR1193	OC(=O)C(Cl)Cl	C79436
PADEL_KR1193	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR1193	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR1193	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR1193	O=C(N(C)C)Cl	C79447
PADEL_KR1193	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR1193	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR1193	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR1193	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR1193	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1193	O=C(c1ccncc1)NN	C54853
PADEL_KR1193	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR1193	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR1193	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1193	O=C1N(CCC1)C	C872504
PADEL_KR1193	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1193	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR1193	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR1193	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1193	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1193	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR1193	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1193	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1193	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1193	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR1193	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1193	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR1193	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR1193	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR1193	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1193	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1193	OC(=O)C=CC=CC	C110441
PADEL_KR1193	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1193	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1193	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1193	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1193	C(=O)(N)N	C57136
PADEL_KR1193	NC(=O)OCC	C51796
PADEL_KR1193	O=C1N(C=C)CCC1	C88120
PADEL_KR1193	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR1193	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1193	OC(=O)CCC	C107926
PADEL_KR1193	CCCCCCCCCC(=O)O	C334485
PADEL_KR1193	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1193	O=C(O)CCCCCC	C111148
PADEL_KR1193	OC(=O)CCCCC(=O)O	C124049
PADEL_KR1193	CCCCCC(=O)O	C142621
PADEL_KR1193	CCCCCCCCC(=O)O	C112050
PADEL_KR1193	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR1193	CCCCCCCC(=O)O	C124072
PADEL_KR1193	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR1193	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR1193	c1ccccc1C(=O)C	C98862
PADEL_KR1193	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR1193	CC(=O)OCCOCC	C111159
PADEL_KR1193	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR1193	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR1193	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR1193	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1193	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR1193	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR1193	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1193	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1193	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1193	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR1193	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR1193	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR1193	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR1193	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1193	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR1193	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1193	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR1193	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR1193	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR1193	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR1193	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR1193	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR1193	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1193	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR1193	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR1193	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1193	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR1193	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1193	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR1193	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR1193	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR1193	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR1193	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR1193	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR1193	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR1193	O=C(O)C(CCCC)CC	C149575
PADEL_KR1193	C(=O)(N)NO	C127071
PADEL_KR1193	C(CC(C)C)OC(=O)C	C123922
PADEL_KR1193	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR1193	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR1193	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1193	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR1193	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR1193	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1193	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR1193	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR1193	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR1193	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR1193	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR1193	O=C(OC)CCCCCCC	C111115
PADEL_KR1193	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR1193	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR1193	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR1193	O=C(C)OCCCCC	C628637
PADEL_KR1193	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR1193	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR1193	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR1193	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR1193	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR1193	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR1193	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR1193	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR1193	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR1193	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR1193	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR1193	O=C(OC)CC(=O)OC	C108598
PADEL_KR1193	O=C(N)C(=C)C	C79390
PADEL_KR1193	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1193	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1193	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR1193	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR1193	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR1193	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR1193	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1193	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1193	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1193	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1193	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR1193	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR1193	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR1193	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR1193	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR1193	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR1193	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR1193	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR1193	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR1193	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR1193	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR1193	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1193	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR1193	O=C(CCC)OCC	C105544
PADEL_KR1193	O=C(OCC)CCCCCC	C106309
PADEL_KR1193	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR1193	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR1193	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR1193	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1193	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR1193	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1193	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1193	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR1193	O=C(CCC)OCCC(C)C	C106274
PADEL_KR1193	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR1193	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR1193	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1193	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR1193	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR1193	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR1193	O=C(C)NC	C79163
PADEL_KR1193	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1193	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR1193	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1193	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR1193	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1193	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR1193	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1193	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR1193	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR1193	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1193	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1193	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1193	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR1193	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1193	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1193	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1193	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR1193	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR1193	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1193	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1193	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1193	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1193	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR1193	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR1193	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR1193	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1193	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1193	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1193	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1193	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1193	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1193	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1193	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR1193	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1193	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR1193	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR1193	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1193	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR1193	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1193	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1193	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1193	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1193	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1193	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1193	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1193	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1193	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1193	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR1193	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR1193	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1193	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1193	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR1193	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR1193	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1193	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1193	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1193	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1193	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR1193	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR1193	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR1193	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1193	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1193	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR1193	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR1193	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1193	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1193	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR1193	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1193	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1193	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR1193	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR1193	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR1193	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR1193	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1193	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1193	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1193	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1193	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1193	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR1193	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR1193	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1193	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR1193	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR1193	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1193	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1193	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1193	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR1193	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR1193	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR1193	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR1193	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR1193	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR1193	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR1193	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR1193	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR1193	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR1193	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR1193	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR1193	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR1193	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR1193	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR1193	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR1193	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1193	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR1193	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR1193	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR1193	C(=O)(C)O	C64197
PADEL_KR1193	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR1193	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1193	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR1193	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1193	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR1193	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR1193	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR1193	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR1193	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR1193	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR1193	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR1193	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1193	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1193	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR1193	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1193	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR1193	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1193	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1193	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR1193	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1193	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1193	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR1193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1193	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1193	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1193	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1193	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1193	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1193	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1193	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR1193	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR1193	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR1193	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR1193	O=C(OCC)c1ccccc1	C93890
PADEL_KR1193	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR1193	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR1193	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1193	CC(=O)OCC	C141786
PADEL_KR1193	CC(=O)OCCCC	C123864
PADEL_KR1193	CC(=O)CCC(C)C	C110123
PADEL_KR1193	CC(=O)CC(C)C	C108101
PADEL_KR1193	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR1193	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR1193	CC1CC(=O)O1	C3068880
PADEL_KR1193	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR1193	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR1193	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR1193	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR1193	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR1193	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR1193	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1193	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1193	O=C(CCl)CCl	C534076
PADEL_KR1193	CC(=O)C(=O)O	C127173
PADEL_KR1193	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR1193	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1193	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR1193	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR1193	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR1193	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1193	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR1193	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1193	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR1193	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR1193	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1193	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR1193	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1193	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR1193	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR1193	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR1193	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1193	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR1193	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR1193	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1193	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1193	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1193	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR1193	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR1193	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR1193	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR1193	ClC(=O)C(CC)CCCC	C760678
PADEL_KR1193	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1193	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR1193	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR1193	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR1193	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1193	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR1193	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1193	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR1193	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR1193	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR1193	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR1193	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR1193	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR1193	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR1193	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR1193	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1193	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR1193	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1193	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR1193	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR1193	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR1193	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1193	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR1193	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR1193	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR1193	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR1193	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1193	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1193	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR1193	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR1193	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR1193	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1193	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1193	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1193	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1193	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1193	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1193	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR1193	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR1193	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR1193	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1193	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR1193	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1193	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1193	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR1193	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1193	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1193	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1193	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1193	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR1193	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR1193	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1193	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR1193	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR1193	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1193	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR1193	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR1193	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR1193	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1193	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR1193	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1193	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1193	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR1193	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR1193	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1193	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1193	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR1193	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR1193	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1193	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1193	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR1193	O=C(OCCCCO)C=C	C2478106
PADEL_KR1193	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1193	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1193	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR1193	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR1193	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1193	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1193	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR1193	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR1193	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR1193	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1193	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR1193	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR1193	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR1193	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR1193	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1193	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR1193	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR1193	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1193	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1193	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1193	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR1193	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR1193	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR1193	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR1193	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR1193	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR1193	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR1193	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR1193	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR1193	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR1193	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1193	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1193	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR1193	CCC(=O)C(=O)CC	C4437518
PADEL_KR1193	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1195	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR1195	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR1195	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1198	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR1203	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR1212	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR1212	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR1212	CC(=O)CC(C)C	C108101
PADEL_KR1212	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR1212	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR1214	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR1214	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR1214	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR1214	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR1215	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR1215	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR1215	CCCCCCCC(=O)O	C124072
PADEL_KR1215	O=C(OC)CCCCCCC	C111115
PADEL_KR1217	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR1217	O=C(O)CCCCCC	C111148
PADEL_KR1217	O=C(OCC)CCCCCC	C106309
PADEL_KR1218	CCCCCC(=O)C	C110430
PADEL_KR1218	CCCCCC(=O)OCC	C123660
PADEL_KR1218	O=C(CC)CCCCC	C106683
PADEL_KR1218	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR1218	CCCCCC(=O)O	C142621
PADEL_KR1219	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR1219	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR1219	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR1219	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR1219	OC(=O)CCCCC(=O)O	C124049
PADEL_KR1219	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR1219	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR1219	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR1219	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR1219	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR1219	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR1219	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR1220	OC(=O)CCCCC(=O)O	C124049
PADEL_KR1220	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR1221	OC(=O)CCCC	C109524
PADEL_KR1222	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR1222	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR1223	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR1225	CCCC(=O)C	C107879
PADEL_KR1225	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR1225	O=C(CCC)OCCCCC	C540181
PADEL_KR1225	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR1225	OC(=O)CCC	C107926
PADEL_KR1225	O=C(CCC)OCC	C105544
PADEL_KR1225	O=C(CCC)OCCC(C)C	C106274
PADEL_KR1225	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR1225	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR1228	C(=O)(O)CCC(=O)O	C110156
PADEL_KR1228	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR1228	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR1228	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR1228	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1228	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1229	C(=O)(O)CCC(=O)O	C110156
PADEL_KR1229	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR1229	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1229	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1231	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR1236	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR1236	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR1236	O=C(CC)OCC	C105373
PADEL_KR1236	O=C(CC)CCCCC	C106683
PADEL_KR1236	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR1236	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR1236	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1236	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR1236	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR1236	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR1236	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR1236	CCC(=O)C(=O)CC	C4437518
PADEL_KR1245	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR1245	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR1245	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR1245	O=C(OC)CC(=O)OC	C108598
PADEL_KR1245	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR1245	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1246	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR1246	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR1246	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1247	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR1250	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR1250	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR1251	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1251	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR1252	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR1252	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR1252	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR1252	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR1252	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR1252	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR1252	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR1252	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR1252	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1252	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR1252	O=C(c1ccccc1)CCl	C532274
PADEL_KR1252	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR1252	O=C(CCl)CCl	C534076
PADEL_KR1252	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1253	[Na+].[O-]C(=O)CF	C62748
PADEL_KR1253	O=C(CF)O	C144490
PADEL_KR1254	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1254	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1263	CC(=O)N	C60355
PADEL_KR1263	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR1263	CC(=O)OCc1ccccc1	C140114
PADEL_KR1263	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR1263	CN(C)C(=O)C	C127195
PADEL_KR1263	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR1263	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR1263	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR1263	CCCC(=O)C	C107879
PADEL_KR1263	CCCCCC(=O)C	C110430
PADEL_KR1263	CCCCCCCCCC(=O)C	C112129
PADEL_KR1263	O=C(OC(C)(C)C)C	C540885
PADEL_KR1263	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR1263	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR1263	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR1263	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR1263	O(C(C)C)C(=O)C	C108214
PADEL_KR1263	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR1263	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR1263	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR1263	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR1263	O=C(C)OCCOC(=O)C	C111557
PADEL_KR1263	O=C(C)OCCOCCCC	C112072
PADEL_KR1263	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR1263	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR1263	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1263	O=C(C=C(C)C)C	C141797
PADEL_KR1263	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR1263	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR1263	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1263	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR1263	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR1263	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR1263	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR1263	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR1263	O=C(c1ccccc1O)C	C118934
PADEL_KR1263	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1263	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1263	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR1263	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR1263	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR1263	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR1263	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1263	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR1263	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR1263	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1263	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR1263	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR1263	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR1263	O=C(C)OCCCCCCCC	C112141
PADEL_KR1263	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1263	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1263	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR1263	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR1263	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1263	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1263	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR1263	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR1263	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR1263	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1263	c1ccccc1C(=O)C	C98862
PADEL_KR1263	CC(=O)OCCOCC	C111159
PADEL_KR1263	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR1263	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR1263	C(CC(C)C)OC(=O)C	C123922
PADEL_KR1263	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR1263	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR1263	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR1263	O=C(C)OCCCCC	C628637
PADEL_KR1263	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1263	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR1263	O=C(C)NC	C79163
PADEL_KR1263	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1263	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1263	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR1263	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1263	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1263	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR1263	C(=O)(C)O	C64197
PADEL_KR1263	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR1263	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1263	CC(=O)OCC	C141786
PADEL_KR1263	CC(=O)OCCCC	C123864
PADEL_KR1263	CC(=O)CCC(C)C	C110123
PADEL_KR1263	CC(=O)CC(C)C	C108101
PADEL_KR1263	CC(=O)C(=O)O	C127173
PADEL_KR1263	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1263	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR1263	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR1263	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR1263	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR1263	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR1263	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR1263	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR1263	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR1263	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1263	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1263	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1263	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR1263	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR1265	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR1272	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR1283	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR1283	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR1286	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR1286	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR1294	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR1299	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR1299	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR1299	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR1299	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR1299	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR1299	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR1299	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR1299	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR1299	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR1299	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR1299	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR1299	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR1299	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR1299	O=C(C)NC	C79163
PADEL_KR1299	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1299	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1299	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1309	O=C(c1ccncc1)NN	C54853
PADEL_KR1309	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR1310	C(=O)(N)NO	C127071
PADEL_KR1310	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1310	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1311	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1311	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR1311	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1311	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1311	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1311	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1311	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR1311	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1313	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR1313	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1314	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR1314	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR1315	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR1315	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR1315	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR1315	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1315	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR1315	O=C(N)Nc1ccccc1	C64108
PADEL_KR1315	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1315	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR1315	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR1315	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR1315	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1315	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1315	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1315	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR1315	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR1316	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1316	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR1319	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1319	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1319	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1319	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1320	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1320	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1320	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1320	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1320	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1320	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1321	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1322	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1322	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR1322	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1322	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1322	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1322	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1353	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1404	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1404	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1404	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1404	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1404	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1404	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1404	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1404	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1404	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1404	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1404	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1404	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1404	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1404	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1404	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1404	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1404	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1404	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1404	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1404	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1404	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1404	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1404	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1404	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1405	CC(=O)N	C60355
PADEL_KR1405	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR1405	NC(=O)OC	C598550
PADEL_KR1405	NC(=O)c1cccnc1	C98920
PADEL_KR1405	CN(C(=O)N)N=O	C684935
PADEL_KR1405	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1405	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR1405	O=C(N)N=NC(=O)N	C123773
PADEL_KR1405	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR1405	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1405	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1405	O=C(N)Nc1ccccc1	C64108
PADEL_KR1405	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR1405	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1405	NC(=O)C=C	C79061
PADEL_KR1405	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1405	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1405	C(=O)(N)N	C57136
PADEL_KR1405	NC(=O)OCC	C51796
PADEL_KR1405	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR1405	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1405	C(=O)(N)NO	C127071
PADEL_KR1405	O=C(N)C(=C)C	C79390
PADEL_KR1405	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1405	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR1405	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1405	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1405	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR1405	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1405	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1405	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1405	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR1405	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR1405	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1405	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1405	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1405	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1406	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1406	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1406	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1406	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1406	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1406	OC(=O)c1cccnc1	C59676
PADEL_KR1406	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR1406	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR1406	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR1406	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR1406	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR1406	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR1406	OC(=O)CCCC	C109524
PADEL_KR1406	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR1406	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR1406	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1406	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1406	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR1406	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR1406	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR1406	C(=O)(O)C(C)O	C50215
PADEL_KR1406	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1406	C(=O)(O)CCC(=O)O	C110156
PADEL_KR1406	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1406	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1406	C(=O)(O)CO	C79141
PADEL_KR1406	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR1406	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR1406	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR1406	C(=O)(O)C(=O)O	C144627
PADEL_KR1406	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1406	O=C(O)CS	C68111
PADEL_KR1406	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR1406	O=C(O)c1ccccc1O	C69727
PADEL_KR1406	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1406	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR1406	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1406	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR1406	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1406	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR1406	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR1406	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR1406	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR1406	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR1406	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR1406	O=C(CF)O	C144490
PADEL_KR1406	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR1406	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1406	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR1406	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1406	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR1406	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR1406	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR1406	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR1406	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1406	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR1406	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1406	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1406	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR1406	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR1406	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1406	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1406	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1406	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1406	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1406	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR1406	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR1406	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR1406	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1406	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR1406	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR1406	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR1406	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1406	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR1406	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1406	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1406	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1406	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1406	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1406	OC(=O)c1ccccc1	C65850
PADEL_KR1406	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR1406	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR1406	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1406	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR1406	OC(=O)C(Cl)Cl	C79436
PADEL_KR1406	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1406	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1406	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1406	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR1406	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1406	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR1406	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1406	OC(=O)C=CC=CC	C110441
PADEL_KR1406	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1406	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1406	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1406	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1406	OC(=O)CCC	C107926
PADEL_KR1406	CCCCCCCCCC(=O)O	C334485
PADEL_KR1406	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1406	O=C(O)CCCCCC	C111148
PADEL_KR1406	OC(=O)CCCCC(=O)O	C124049
PADEL_KR1406	CCCCCC(=O)O	C142621
PADEL_KR1406	CCCCCCCCC(=O)O	C112050
PADEL_KR1406	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR1406	CCCCCCCC(=O)O	C124072
PADEL_KR1406	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1406	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1406	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR1406	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR1406	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR1406	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR1406	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1406	O=C(O)C(CCCC)CC	C149575
PADEL_KR1406	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR1406	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR1406	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR1406	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR1406	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR1406	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR1406	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1406	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1406	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1406	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR1406	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1406	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1406	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1406	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1406	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1406	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1406	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR1406	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR1406	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1406	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR1406	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1406	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1406	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1406	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1406	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR1406	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1406	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR1406	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1406	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1406	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR1406	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1406	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1406	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR1406	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR1406	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1406	C(=O)(C)O	C64197
PADEL_KR1406	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR1406	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1406	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1406	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR1406	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR1406	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1406	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1406	CC(=O)C(=O)O	C127173
PADEL_KR1406	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1406	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1406	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR1406	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1406	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1406	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR1406	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR1406	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1406	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1406	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR1406	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1406	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR1406	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR1406	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1406	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1406	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR1406	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR1406	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR1406	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR1406	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1406	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1406	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR1406	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR1406	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR1406	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1407	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR1407	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1407	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR1407	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR1407	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1407	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1407	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR1407	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR1407	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR1407	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR1407	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1407	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR1407	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1407	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR1407	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1407	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR1407	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR1407	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR1407	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1407	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR1407	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1407	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1407	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1407	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR1407	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1407	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1407	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1407	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR1407	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1407	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1407	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1407	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR1407	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1407	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1407	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1407	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1407	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR1407	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR1407	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR1407	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR1407	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR1407	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1407	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR1407	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR1407	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1407	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1407	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1407	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1407	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1407	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1407	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR1407	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1408	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1408	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1408	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1408	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1408	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR1408	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR1408	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR1408	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1408	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1408	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR1408	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1408	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR1408	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1408	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1408	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR1408	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR1408	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR1408	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1408	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1408	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1408	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1409	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR1410	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1410	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1412	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1412	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1412	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1412	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1412	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1412	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1418	C(=O)(O)C(=O)O	C144627
PADEL_KR1418	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR1418	CC(=O)C(=O)O	C127173
PADEL_KR1418	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR1418	CCC(=O)C(=O)CC	C4437518
PADEL_KR1419	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1419	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR1421	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1421	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1426	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR1426	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR1426	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1426	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR1426	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR1426	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR1426	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1426	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1426	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR1426	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR1426	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1426	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR1426	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR1426	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR1426	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR1426	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR1426	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1426	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR1426	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR1426	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR1426	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR1426	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1426	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR1426	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1426	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR1426	OC(=O)c1ccccc1	C65850
PADEL_KR1426	O=C(c1ccccc1)CCl	C532274
PADEL_KR1426	c1ccccc1C(=O)C	C98862
PADEL_KR1426	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR1426	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1426	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR1426	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR1426	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR1426	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR1426	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1426	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1426	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1426	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1426	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR1426	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR1426	O=C(OCC)c1ccccc1	C93890
PADEL_KR1426	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR1426	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR1426	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1426	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR1426	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1426	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR1427	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR1427	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR1427	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR1427	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1427	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1427	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR1427	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1427	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1427	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1427	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR1427	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR1427	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR1427	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1427	O=C(O)c1ccccc1O	C69727
PADEL_KR1427	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR1427	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR1427	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR1427	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR1427	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR1427	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1427	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1427	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1427	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1427	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR1427	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR1427	O=C(c1ccccc1O)C	C118934
PADEL_KR1427	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR1427	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR1427	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR1427	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR1427	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1427	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1427	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1427	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR1427	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1427	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR1427	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR1427	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR1427	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR1427	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1427	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1427	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1427	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR1427	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1427	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1427	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1427	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1427	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR1427	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR1427	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1427	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR1427	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR1427	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR1427	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR1427	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR1427	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR1427	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR1427	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR1427	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1427	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR1427	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR1427	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1427	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1427	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1427	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1427	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR1427	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1427	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1427	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1427	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1427	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1427	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1427	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR1427	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR1427	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1427	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1427	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1427	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR1427	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR1427	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1427	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR1427	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR1427	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1427	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1428	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1428	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR1428	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR1430	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1430	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1430	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1430	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1430	O=C(O)c1ccccc1O	C69727
PADEL_KR1430	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1430	O=C(c1ccccc1O)C	C118934
PADEL_KR1430	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1430	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1430	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1432	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR1432	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR1432	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR1432	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR1432	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR1432	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR1432	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR1432	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR1432	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1432	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR1432	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR1432	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR1432	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1432	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1432	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1432	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1432	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR1432	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR1432	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR1432	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR1432	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR1432	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR1432	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR1432	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR1432	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1432	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR1432	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR1433	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1433	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1433	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1433	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1433	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1436	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1438	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR1438	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR1438	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR1438	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1438	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR1438	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1438	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1438	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1438	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1438	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1439	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1440	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR1440	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR1440	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1440	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR1442	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR1448	NC(=O)c1cccnc1	C98920
PADEL_KR1448	OC(=O)c1cccnc1	C59676
PADEL_KR1448	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1448	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR1452	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1452	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR1452	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR1452	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1452	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1452	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1452	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1452	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1452	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1452	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR1452	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1452	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR1452	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1452	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR1452	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1452	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR1452	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR1452	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR1452	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1452	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1452	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR1452	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1452	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1452	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR1452	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1452	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1452	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1452	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1452	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1452	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1452	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR1452	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1452	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1452	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1452	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1452	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1452	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1452	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1452	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1452	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1452	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1452	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1452	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1452	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR1452	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1452	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1452	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1452	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1454	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1456	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1456	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR1456	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR1461	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR1461	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1463	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1463	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR1463	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1463	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1463	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1463	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1463	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1463	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1463	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1463	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR1463	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1463	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1463	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1463	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1463	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1467	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1467	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR1467	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1467	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1467	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1471	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1471	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1474	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR1476	O=C(c1ccncc1)NN	C54853
PADEL_KR1476	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR1481	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1481	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1482	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1490	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1490	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1490	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1490	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1490	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1490	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1496	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR1499	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR1499	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR1499	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR1499	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR1499	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1500	CN(C)C(=O)C	C127195
PADEL_KR1500	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR1500	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR1500	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR1500	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1500	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR1500	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1500	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR1500	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR1500	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR1500	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR1500	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1500	O=C(N(C)C)Cl	C79447
PADEL_KR1500	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1500	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1500	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1500	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1500	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1500	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR1500	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1502	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR1506	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR1508	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR1508	O(C(C)C)C(=O)C	C108214
PADEL_KR1508	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR1508	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR1508	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1508	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR1508	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR1508	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1508	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1508	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR1508	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR1508	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1508	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1510	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR1510	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR1510	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR1510	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR1511	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR1511	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR1511	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR1511	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR1511	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1512	O=C(CCC)OCCCCC	C540181
PADEL_KR1512	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR1512	O=C(C)OCCCCC	C628637
PADEL_KR1512	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR1513	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1513	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR1513	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR1513	O=C(OCCCC)C=C	C141322
PADEL_KR1513	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR1513	OC(C)C(=O)OCCCC	C138227
PADEL_KR1513	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR1513	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR1513	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR1513	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1513	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1513	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1513	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR1513	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR1513	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR1513	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR1513	CC(=O)OCCCC	C123864
PADEL_KR1515	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR1515	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR1515	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR1515	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1517	C=CC(=O)OCCO	C818611
PADEL_KR1517	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR1518	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR1520	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1520	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR1520	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR1520	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR1520	CCCCCC(=O)OCC	C123660
PADEL_KR1520	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1520	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR1520	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR1520	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR1520	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR1520	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR1520	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR1520	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR1520	O=C(CC)OCC	C105373
PADEL_KR1520	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR1520	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR1520	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR1520	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR1520	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR1520	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR1520	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR1520	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR1520	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR1520	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR1520	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1520	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR1520	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR1520	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR1520	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR1520	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR1520	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1520	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1520	NC(=O)OCC	C51796
PADEL_KR1520	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR1520	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR1520	O=C(CCC)OCC	C105544
PADEL_KR1520	O=C(OCC)CCCCCC	C106309
PADEL_KR1520	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR1520	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1520	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1520	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR1520	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1520	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR1520	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR1520	O=C(OCC)c1ccccc1	C93890
PADEL_KR1520	CC(=O)OCC	C141786
PADEL_KR1520	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR1520	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR1520	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR1520	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1520	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1520	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1520	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR1521	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR1524	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1524	NC(=O)OC	C598550
PADEL_KR1524	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR1524	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR1524	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1524	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR1524	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR1524	O=C(OC)CCCCCCCCC	C110429
PADEL_KR1524	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR1524	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR1524	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1524	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR1524	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR1524	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR1524	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR1524	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR1524	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1524	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR1524	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR1524	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR1524	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR1524	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR1524	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR1524	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1524	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1524	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR1524	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR1524	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1524	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR1524	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR1524	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1524	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR1524	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR1524	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1524	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR1524	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR1524	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR1524	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR1524	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR1524	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR1524	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1524	O=C(OC)CCCCCCC	C111115
PADEL_KR1524	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR1524	O=C(OC)CC(=O)OC	C108598
PADEL_KR1524	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR1524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1524	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1524	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1524	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1524	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1524	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR1524	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1524	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR1524	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR1524	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1525	O=C(OC(C)(C)C)C	C540885
PADEL_KR1525	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1525	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR1525	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1530	NC(=S)N	C62566
PADEL_KR1532	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR1532	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1532	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR1532	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR1532	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1532	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR1532	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR1532	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1532	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR1532	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR1532	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR1532	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR1532	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR1532	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR1532	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR1532	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR1532	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1533	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1533	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1535	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1535	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR1535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR1535	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR1535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR1535	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR1535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR1535	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR1535	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR1535	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR1535	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR1535	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR1535	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR1535	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR1535	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR1535	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR1535	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR1535	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR1535	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR1536	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR1536	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1536	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1536	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR1536	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR1536	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR1536	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1536	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR1536	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1536	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1536	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1536	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1536	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR1536	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1536	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1536	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1536	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1536	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR1536	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR1536	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR1536	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1536	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1536	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR1536	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR1536	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR1536	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR1536	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR1536	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR1536	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR1536	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR1536	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR1536	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR1536	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR1536	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR1536	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1536	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1536	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR1536	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1536	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR1536	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1536	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR1536	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR1536	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1536	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1536	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1536	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR1536	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1536	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR1536	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1536	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR1536	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR1536	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR1536	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR1536	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1536	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR1536	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR1536	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR1536	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR1536	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR1536	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR1536	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR1536	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR1536	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1536	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR1536	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1536	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1536	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1536	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1536	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1536	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR1536	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1536	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR1536	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR1536	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR1536	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1536	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR1536	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR1536	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR1536	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR1536	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1536	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1536	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1536	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR1536	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1536	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR1536	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR1536	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1536	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1536	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR1536	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1536	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1536	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1536	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1536	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR1536	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1536	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1538	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR1538	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1538	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1538	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR1538	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR1539	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1539	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1539	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1539	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1564	Nc1ccccc1.Cl	C142041
PADEL_KR1564	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR1564	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR1564	CC(=O)OCc1ccccc1	C140114
PADEL_KR1564	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1564	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR1564	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1564	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR1564	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1564	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR1564	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR1564	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR1564	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR1564	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR1564	O=CCc1ccccc1	C122781
PADEL_KR1564	c1ccccc1Oc1ccccc1	C101848
PADEL_KR1564	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1564	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_KR1564	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_KR1564	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR1564	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR1564	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR1564	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1564	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR1564	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1564	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1564	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR1564	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR1564	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1564	O=C/C=C/c1ccccc1	C14371109
PADEL_KR1564	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR1564	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR1564	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR1564	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR1564	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR1564	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PADEL_KR1564	OCCc1ccccc1	C60128
PADEL_KR1564	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR1564	Sc1ccccc1	C108985
PADEL_KR1564	[O-]c1ccccc1.[Na+]	C139026
PADEL_KR1564	ClP(c1ccccc1)Cl	C644973
PADEL_KR1564	OC(C)COc1ccccc1	C770354
PADEL_KR1564	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PADEL_KR1564	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR1564	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1564	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR1564	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR1564	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR1564	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR1564	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR1564	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR1564	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1564	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1564	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1564	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR1564	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR1564	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1564	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR1564	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR1564	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR1564	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1564	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1564	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR1564	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR1564	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR1564	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1564	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR1564	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR1564	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1564	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR1564	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR1564	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR1564	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR1564	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_KR1564	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR1564	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR1564	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR1564	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR1564	OCC=Cc1ccccc1	C104541
PADEL_KR1564	CCC(c1ccccc1)CCC	C4468422
PADEL_KR1564	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR1564	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR1564	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR1564	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1564	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR1564	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_KR1564	c1(Cc2ccccc2)ccccc1	C101815
PADEL_KR1564	c1([Hg]c2ccccc2)ccccc1	C587859
PADEL_KR1564	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR1564	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR1564	OC(CO)c1ccccc1	C93561
PADEL_KR1564	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR1564	O=C(N)Nc1ccccc1	C64108
PADEL_KR1564	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1564	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR1564	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1564	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR1564	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR1564	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR1564	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR1564	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1564	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1564	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR1564	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR1564	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR1564	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR1564	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR1564	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR1564	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR1564	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR1564	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR1564	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1564	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR1564	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_KR1564	c1ccccc1Nc1ccccc1	C122394
PADEL_KR1564	c1ccccc1OCCO	C122996
PADEL_KR1564	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR1564	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1564	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR1564	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1564	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1564	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR1564	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR1564	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR1564	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR1564	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR1564	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR1564	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1564	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR1564	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR1564	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1564	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR1564	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR1564	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1564	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR1564	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR1564	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR1564	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR1564	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1564	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_KR1564	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR1564	OC(=O)c1ccccc1	C65850
PADEL_KR1564	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR1564	OCc1ccccc1	C100516
PADEL_KR1564	c1c(cccc1)c1ccccc1	C92524
PADEL_KR1564	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR1564	O=C(c1ccccc1)CCl	C532274
PADEL_KR1564	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR1564	CN(c1ccccc1)C	C121697
PADEL_KR1564	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR1564	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR1564	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR1564	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR1564	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR1564	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR1564	Oc1ccccc1	C108952
PADEL_KR1564	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR1564	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR1564	C1C(c2ccccc2)O1	C96093
PADEL_KR1564	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1564	CCN(CC)c1ccccc1	C91667
PADEL_KR1564	c1ccccc1C(=O)C	C98862
PADEL_KR1564	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_KR1564	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR1564	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR1564	c1(CCCC)ccccc1	C104518
PADEL_KR1564	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR1564	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR1564	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR1564	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR1564	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR1564	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR1564	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR1564	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR1564	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR1564	N(c1ccccc1)CC	C103695
PADEL_KR1564	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR1564	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_KR1564	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR1564	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR1564	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR1564	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR1564	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1564	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR1564	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1564	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR1564	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1564	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR1564	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1564	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR1564	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR1564	CCCc1ccccc1	C103651
PADEL_KR1564	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1564	CC(C)(C)c1ccccc1	C98066
PADEL_KR1564	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR1564	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR1564	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR1564	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR1564	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR1564	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR1564	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1564	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR1564	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR1564	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1564	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1564	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1564	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR1564	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1564	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1564	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1564	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1564	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR1564	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1564	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1564	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR1564	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR1564	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1564	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1564	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1564	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR1564	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR1564	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR1564	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR1564	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR1564	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR1564	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR1564	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR1564	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR1564	O=C(OCC)c1ccccc1	C93890
PADEL_KR1564	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR1564	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR1564	NNc1ccccc1.Cl	C59881
PADEL_KR1564	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1564	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_KR1564	N#Cc1ccccc1	C100470
PADEL_KR1564	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1564	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR1564	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR1564	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR1564	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR1564	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR1564	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR1564	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR1564	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1564	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR1564	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1564	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1564	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR1564	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR1564	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR1564	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR1564	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR1564	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR1564	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR1564	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR1564	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR1564	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR1564	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR1564	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1564	Cl[Hg]c1ccccc1	C100561
PADEL_KR1564	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR1564	O=[As]c1ccccc1	C637036
PADEL_KR1564	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR1564	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_KR1564	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_KR1564	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR1564	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR1564	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1564	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR1564	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR1564	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR1564	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1564	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR1564	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR1564	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR1564	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR1564	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR1564	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_KR1564	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1565	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR1565	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_KR1565	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR1565	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR1566	[nH]1c2c(cccc2)nn1	C95147
PADEL_KR1566	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR1566	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_KR1566	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR1566	c1cccc2[nH]ccc12	C120729
PADEL_KR1566	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1566	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR1566	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR1566	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR1566	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR1566	Nc1ccccc1C.Cl	C636215
PADEL_KR1566	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1566	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR1566	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR1566	O=Cc1ccccc1O	C90028
PADEL_KR1566	Oc1cccc2ccccc12	C90153
PADEL_KR1566	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1566	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_KR1566	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1566	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR1566	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1566	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR1566	c1(c(CC)cccc1)O	C90006
PADEL_KR1566	c1cccc(OC)c1O	C90051
PADEL_KR1566	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR1566	c1ccc2ncsc2c1	C95169
PADEL_KR1566	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1566	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR1566	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR1566	C=Cc1ccccc1C=C	C1321740
PADEL_KR1566	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR1566	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR1566	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR1566	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR1566	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR1566	c12ccccc1CCCC2	C119642
PADEL_KR1566	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1566	O=C(O)c1ccccc1O	C69727
PADEL_KR1566	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR1566	Oc1ccc2ccccc2c1	C135193
PADEL_KR1566	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR1566	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR1566	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR1566	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR1566	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR1566	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR1566	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR1566	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR1566	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1566	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR1566	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1566	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR1566	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR1566	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR1566	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR1566	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR1566	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR1566	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1566	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR1566	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1566	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1566	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR1566	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR1566	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR1566	O=C(c1ccccc1O)C	C118934
PADEL_KR1566	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR1566	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR1566	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR1566	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_KR1566	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR1566	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR1566	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR1566	Oc1ccccc1CN(C)C	C120650
PADEL_KR1566	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR1566	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR1566	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR1566	N#Cc1c(O)cccc1	C611201
PADEL_KR1566	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR1566	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1566	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1566	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1566	c12ccccc1CC=C2	C95136
PADEL_KR1566	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1566	Oc1c(OCC)cccc1	C94713
PADEL_KR1566	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1566	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR1566	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1566	Oc1c(C(C)C)cccc1	C88697
PADEL_KR1566	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR1566	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1566	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR1566	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR1566	c12ccccc1c1c(cccc1)s2	C132650
PADEL_KR1566	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1566	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR1566	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR1566	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR1566	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR1566	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR1566	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR1566	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_KR1566	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR1566	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR1566	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR1566	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_KR1566	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR1566	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR1566	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1566	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR1566	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR1566	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR1566	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1566	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1566	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1566	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR1566	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1566	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR1566	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR1566	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR1566	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR1566	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR1566	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR1566	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1566	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1566	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1566	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR1566	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1566	c1coc2c1cccc2	C271896
PADEL_KR1566	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR1566	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR1566	Oc1c(cccc1)O	C120809
PADEL_KR1566	O=c1oc2c(cccc2)cc1	C91645
PADEL_KR1566	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR1566	Clc1c(cccc1)Cl	C95501
PADEL_KR1566	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR1566	Sc1nc2c(cccc2)s1	C149304
PADEL_KR1566	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR1566	c1c2c(ccc1)cccc2	C91203
PADEL_KR1566	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR1566	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1566	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR1566	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR1566	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1566	Oc1ccccc1Cl	C95578
PADEL_KR1566	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR1566	n1cccc2c1cccc2	C91225
PADEL_KR1566	Oc1c(C)cccc1	C95487
PADEL_KR1566	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR1566	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR1566	c1cccc2c3ccccc3oc12	C132649
PADEL_KR1566	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR1566	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR1566	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR1566	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR1566	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR1566	Nc1c(OC)cccc1	C90040
PADEL_KR1566	c1ccc2cc3ccccc3cc2c1	C120127
PADEL_KR1566	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PADEL_KR1566	Cc1ccccc1Cl	C95498
PADEL_KR1566	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR1566	c1cccc2c1c1cccc3cccc2c13	C206440
PADEL_KR1566	c1cccc2Cc3ccccc3c12	C86737
PADEL_KR1566	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PADEL_KR1566	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR1566	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR1566	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR1566	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR1566	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR1566	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1566	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR1566	Nc1c(N)cccc1	C95545
PADEL_KR1566	Nc1c(cccc1)C	C95534
PADEL_KR1566	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1566	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1566	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR1566	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR1566	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR1566	O=Cc1ccccc1C=O	C643798
PADEL_KR1566	O=c1[nH]sc2c1cccc2	C2634335
PADEL_KR1566	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR1566	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR1566	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR1566	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1566	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1566	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1566	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR1566	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1566	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR1566	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR1566	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1566	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1566	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR1566	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1566	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR1566	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1566	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR1566	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1566	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1566	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1566	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR1566	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR1566	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR1566	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1566	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR1566	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR1566	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR1566	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR1566	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1566	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR1566	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1566	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1566	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1566	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR1566	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR1566	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR1566	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR1566	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR1566	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1566	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1566	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR1566	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR1566	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR1566	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR1566	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR1566	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1566	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR1566	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1566	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR1566	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1566	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR1566	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR1566	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR1566	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR1566	c12ccccc1ccc1c2cccn1	C85029
PADEL_KR1566	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR1566	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR1566	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR1566	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR1566	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR1566	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR1566	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR1566	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR1566	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR1566	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1566	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR1566	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR1566	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR1566	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR1566	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR1566	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR1566	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_KR1566	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR1566	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR1566	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR1566	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1566	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR1566	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR1566	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR1566	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR1566	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR1566	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1566	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR1566	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1566	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1566	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR1566	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR1566	CC1COc2ccccc2N1	C32329207
PADEL_KR1566	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR1566	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR1566	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1566	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR1567	c1(c(CC)cccc1)O	C90006
PADEL_KR1568	Nc1ccccc1C.Cl	C636215
PADEL_KR1568	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR1568	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1568	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR1568	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR1568	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR1568	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR1568	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR1568	Oc1c(C)cccc1	C95487
PADEL_KR1568	Cc1ccccc1Cl	C95498
PADEL_KR1568	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR1568	Nc1c(cccc1)C	C95534
PADEL_KR1569	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR1569	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR1569	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR1569	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR1569	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR1570	Nc1ccccc1C.Cl	C636215
PADEL_KR1570	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR1570	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR1570	Nc1c(OC)cccc1	C90040
PADEL_KR1570	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR1570	Nc1c(N)cccc1	C95545
PADEL_KR1570	Nc1c(cccc1)C	C95534
PADEL_KR1570	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR1570	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR1571	c1(O)ccccc1C(=O)N	C65452
PADEL_KR1571	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR1571	O=Cc1ccccc1O	C90028
PADEL_KR1571	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR1571	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR1571	c1(c(CC)cccc1)O	C90006
PADEL_KR1571	c1cccc(OC)c1O	C90051
PADEL_KR1571	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR1571	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR1571	O=C(O)c1ccccc1O	C69727
PADEL_KR1571	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR1571	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR1571	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1571	O=C(c1ccccc1O)C	C118934
PADEL_KR1571	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR1571	Oc1ccccc1CN(C)C	C120650
PADEL_KR1571	N#Cc1c(O)cccc1	C611201
PADEL_KR1571	Oc1c(OCC)cccc1	C94713
PADEL_KR1571	Oc1c(C(C)C)cccc1	C88697
PADEL_KR1571	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR1571	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR1571	Oc1c(cccc1)O	C120809
PADEL_KR1571	Oc1ccccc1Cl	C95578
PADEL_KR1571	Oc1c(C)cccc1	C95487
PADEL_KR1571	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR1571	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR1571	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR1571	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR1571	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR1572	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1572	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR1573	N#Cc1c(O)cccc1	C611201
PADEL_KR1573	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR1574	O=C(c1ccccc1O)C	C118934
PADEL_KR1575	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1575	O=C(O)c1ccccc1O	C69727
PADEL_KR1575	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR1575	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR1575	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1575	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR1575	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR1575	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR1575	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR1575	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR1575	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1575	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1575	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1577	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1577	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1577	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1578	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_KR1578	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR1578	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR1579	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PADEL_KR1579	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR1583	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR1583	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1583	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR1583	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR1583	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_KR1583	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR1583	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1583	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR1583	Clc1c(cccc1)Cl	C95501
PADEL_KR1583	Oc1ccccc1Cl	C95578
PADEL_KR1583	Cc1ccccc1Cl	C95498
PADEL_KR1583	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR1583	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR1583	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR1583	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR1583	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1584	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR1584	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1585	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR1588	c1cccc(OC)c1O	C90051
PADEL_KR1588	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1588	Nc1c(OC)cccc1	C90040
PADEL_KR1588	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1588	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR1589	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR1589	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR1589	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR1589	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1589	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_KR1589	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR1589	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR1589	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR1589	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR1589	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR1591	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR1591	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1591	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR1591	c1c(O)cccc1CC	C620177
PADEL_KR1591	Cc1cc(O)ccc1	C108394
PADEL_KR1591	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR1591	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR1591	Cc1cccc(C)c1	C108383
PADEL_KR1591	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR1591	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR1591	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR1591	Clc1cccc(C)c1	C25168052
PADEL_KR1591	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR1591	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR1591	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR1591	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR1591	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR1591	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR1591	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1591	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR1591	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR1591	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1591	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR1591	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR1591	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR1591	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR1591	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR1591	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR1591	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR1591	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1591	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1591	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR1591	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR1591	Nc1cc(ccc1)N	C108452
PADEL_KR1591	Oc1cc(ccc1)O	C108463
PADEL_KR1591	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1591	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR1591	CCNc1cc(C)ccc1	C102272
PADEL_KR1591	Clc1cc(Cl)ccc1	C541731
PADEL_KR1591	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR1591	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR1591	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR1591	Nc1cccc(C)c1	C108441
PADEL_KR1591	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1591	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR1591	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1591	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1591	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1591	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR1591	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1591	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1591	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1591	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1591	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1591	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR1591	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1591	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR1591	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1591	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1591	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1591	NCc1cccc(CN)c1	C1477550
PADEL_KR1591	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1591	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1591	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR1591	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1591	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR1591	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR1591	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1591	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR1591	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR1591	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR1591	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1591	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1591	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR1591	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1592	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR1592	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1592	Oc1cccc2ccccc12	C90153
PADEL_KR1592	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR1592	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1592	Cc1c(C)cccc1O	C526750
PADEL_KR1592	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR1592	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR1592	Cc1cccc2nn[nH]c12	C29385431
PADEL_KR1592	Nc1cccc(C)c1C	C1300738
PADEL_KR1592	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR1592	Nc1c(C)cccc1CC	C24549062
PADEL_KR1592	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR1592	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR1592	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR1592	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1592	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR1592	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR1592	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR1592	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR1592	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR1592	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1592	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR1592	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR1592	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR1592	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR1592	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR1592	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR1592	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR1592	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR1592	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1592	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR1592	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR1592	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR1592	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR1592	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR1592	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR1592	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR1592	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR1592	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1592	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR1592	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR1592	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR1592	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1592	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1592	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR1592	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR1592	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1592	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR1592	Oc1cccc2cccnc12	C148243
PADEL_KR1592	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR1592	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_KR1592	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR1592	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR1592	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR1592	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR1592	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PADEL_KR1592	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR1592	Oc1c(cccc1C)C	C576261
PADEL_KR1592	c1cccc2c1c1cccc3cccc2c13	C206440
PADEL_KR1592	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PADEL_KR1592	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR1592	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR1592	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR1592	Nc1c(cccc1C)C	C87627
PADEL_KR1592	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR1592	Nc1c(CC)cccc1CC	C579668
PADEL_KR1592	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR1592	Nc1cccc(C)c1N	C2687254
PADEL_KR1592	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1592	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR1592	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR1592	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR1592	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR1592	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR1592	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR1592	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1592	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR1592	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR1592	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1592	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1592	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR1592	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR1592	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR1592	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR1592	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1592	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR1592	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR1592	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1592	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR1594	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR1594	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR1594	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR1594	Nc1cccc(C)n1	C1824813
PADEL_KR1597	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR1597	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR1597	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1597	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1597	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR1599	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR1599	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR1599	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1599	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1599	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR1600	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR1600	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR1600	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR1600	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR1600	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR1600	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1600	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1606	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR1606	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR1606	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR1606	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR1607	c1c(O)cccc1CC	C620177
PADEL_KR1608	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR1609	Cc1cc(O)ccc1	C108394
PADEL_KR1609	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR1609	Cc1cccc(C)c1	C108383
PADEL_KR1609	Clc1cccc(C)c1	C25168052
PADEL_KR1609	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR1609	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR1609	CCNc1cc(C)ccc1	C102272
PADEL_KR1609	Nc1cccc(C)c1	C108441
PADEL_KR1609	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR1609	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR1610	Cc1c(C)cccc1O	C526750
PADEL_KR1610	Nc1cccc(C)c1C	C1300738
PADEL_KR1610	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR1610	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1610	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR1610	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR1611	Nc1cccc(C)n1	C1824813
PADEL_KR1612	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR1612	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR1612	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR1613	Nc1cc(ccc1)N	C108452
PADEL_KR1613	Nc1cccc(C)c1	C108441
PADEL_KR1613	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR1614	c1c(O)cccc1CC	C620177
PADEL_KR1614	Cc1cc(O)ccc1	C108394
PADEL_KR1614	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR1614	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR1614	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR1614	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR1614	Oc1cc(ccc1)O	C108463
PADEL_KR1616	Clc1cccc(C)c1	C25168052
PADEL_KR1616	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR1616	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR1616	Clc1cc(Cl)ccc1	C541731
PADEL_KR1616	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1616	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR1616	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR1618	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR1619	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1619	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1619	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR1619	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1621	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR1622	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR1622	Oc1cccc2ccccc12	C90153
PADEL_KR1622	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR1622	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR1622	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR1622	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR1622	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR1622	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR1623	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR1623	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR1623	c1cccc2c1c1cccc3cccc2c13	C206440
PADEL_KR1624	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR1624	Oc1cccc2cccnc12	C148243
PADEL_KR1624	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1626	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_KR1633	NC(=O)c1cccnc1	C98920
PADEL_KR1633	OC(=O)c1cccnc1	C59676
PADEL_KR1633	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR1633	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR1633	N#Cc1cnccc1	C100549
PADEL_KR1633	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR1633	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1633	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR1633	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1633	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR1633	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR1633	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1633	n1cc(C)ccc1	C108996
PADEL_KR1633	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR1633	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR1634	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR1634	c12ncccc1ccc1c2nccc1	C66717
PADEL_KR1634	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1634	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR1634	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR1634	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR1634	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR1634	Oc1cccc2cccnc12	C148243
PADEL_KR1634	Cc1cc2cccnc2cc1	C91623
PADEL_KR1634	n1cccc2c1cccc2	C91225
PADEL_KR1634	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1634	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1634	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1634	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR1634	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR1634	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1634	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR1634	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR1634	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1634	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR1634	c12ccccc1ccc1c2cccn1	C85029
PADEL_KR1634	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_KR1636	c12ncccc1ccc1c2nccc1	C66717
PADEL_KR1636	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_KR1637	c1c(CO)occ1	C98000
PADEL_KR1637	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR1637	O=Cc1ccco1	C98011
PADEL_KR1637	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR1637	CCCCCc1ccco1	C3777693
PADEL_KR1638	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1638	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_KR1638	c1(SSc2cccs2)cccs1	C6911519
PADEL_KR1639	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR1641	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR1642	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR1642	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR1642	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1642	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1642	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR1642	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR1642	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR1642	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR1642	C=CCc1ccc(cc1)OC	C140670
PADEL_KR1642	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR1642	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1642	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR1642	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR1642	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR1642	COc1ccc(cc1)O	C150765
PADEL_KR1642	C=Cc1ccc(cc1)C	C622979
PADEL_KR1642	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR1642	Nc1ccc(cc1)N	C106503
PADEL_KR1642	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR1642	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1642	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR1642	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR1642	Nc1ccc(CCCC)cc1	C104132
PADEL_KR1642	Oc1ccc(Cl)cc1	C106489
PADEL_KR1642	Oc1ccc(CC)cc1	C123079
PADEL_KR1642	COc1ccc(OC)cc1	C150787
PADEL_KR1642	Oc1ccc(CCC)cc1	C645567
PADEL_KR1642	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR1642	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR1642	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR1642	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1642	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1642	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR1642	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR1642	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR1642	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR1642	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR1642	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1642	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1642	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1642	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR1642	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR1642	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1642	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1642	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1642	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1642	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR1642	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR1642	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1642	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR1642	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1642	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR1642	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR1642	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1642	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR1642	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR1642	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1642	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR1642	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR1642	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1642	O(c1ccc(N)cc1)CC	C156434
PADEL_KR1642	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR1642	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1642	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1642	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1642	O=Cc1ccc(OC)cc1	C123115
PADEL_KR1642	Brc1ccc(F)cc1	C460004
PADEL_KR1642	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1642	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR1642	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR1642	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR1642	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1642	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR1642	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1642	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1642	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR1642	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR1642	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1642	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR1642	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR1642	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR1642	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR1642	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR1642	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1642	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1642	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR1642	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1642	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR1642	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR1642	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR1642	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR1642	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR1642	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR1642	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1642	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1642	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR1642	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR1642	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR1642	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR1642	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR1642	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR1642	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1642	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1642	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR1642	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1642	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR1642	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR1642	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR1642	COc1ccc(CCC)cc1	C104450
PADEL_KR1642	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR1642	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1642	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1642	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR1642	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR1642	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR1642	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1642	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR1642	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR1642	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR1642	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR1642	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR1642	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR1642	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1642	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR1642	Nc1ccc(CCC)cc1	C2696846
PADEL_KR1642	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1642	Sc1ccc(C)cc1	C106456
PADEL_KR1642	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR1642	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1642	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR1642	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1642	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR1642	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR1642	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR1642	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR1642	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1642	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR1642	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR1642	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1642	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR1642	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1642	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1642	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR1642	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1642	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1642	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR1642	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR1642	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR1642	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR1642	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR1642	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1642	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR1642	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR1642	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1642	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR1642	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR1642	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR1642	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1642	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR1642	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1642	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR1642	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR1642	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1642	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1642	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1642	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1642	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR1642	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR1642	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR1642	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR1642	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR1642	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1642	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1642	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR1642	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1642	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1642	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR1642	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_KR1642	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR1642	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1642	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR1642	Nc1ccc(cc1)Cl	C106478
PADEL_KR1642	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1642	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1642	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1642	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR1642	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR1642	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR1642	Clc1ccc(cc1)Cl	C106467
PADEL_KR1642	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR1642	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR1642	Oc1ccc(cc1)O	C123319
PADEL_KR1642	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1642	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR1642	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR1642	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR1642	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR1642	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1642	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1642	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR1642	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1642	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR1642	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1642	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR1642	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1642	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR1642	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1642	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1642	CN(C)c1ccc(C)cc1	C99978
PADEL_KR1642	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR1642	Oc1ccc(C)cc1	C106445
PADEL_KR1642	Nc1ccc(C)cc1	C106490
PADEL_KR1642	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR1642	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR1642	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR1642	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR1642	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR1642	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1642	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1642	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR1642	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1642	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR1642	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR1642	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR1642	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR1642	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR1642	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1642	Cc1ccc(Cl)cc1	C106434
PADEL_KR1642	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR1642	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR1642	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1642	CC(C)c1ccc(C)cc1	C99876
PADEL_KR1642	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR1642	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR1642	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR1642	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR1642	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR1642	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1642	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1642	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1642	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1642	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1642	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR1642	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR1642	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR1642	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1642	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1642	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1642	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1642	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR1642	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR1642	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR1642	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR1642	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1642	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1642	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1642	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1642	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR1642	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1642	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1642	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1642	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1642	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1642	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR1642	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR1642	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1642	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR1642	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1642	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1642	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR1642	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR1642	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1642	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1642	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR1642	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR1642	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR1642	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR1642	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR1642	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR1642	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR1642	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR1642	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR1642	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR1642	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR1642	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR1642	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR1642	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR1642	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR1642	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR1642	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR1642	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR1642	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR1642	Nc1ccc(Br)cc1	C106401
PADEL_KR1642	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR1642	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR1642	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR1642	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR1642	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1642	Nc1ccc(OC)cc1	C104949
PADEL_KR1642	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1642	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1642	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1642	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR1642	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR1642	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1642	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1642	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR1642	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1642	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR1642	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1642	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR1642	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR1642	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1642	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1642	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR1642	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR1642	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR1642	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1642	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1642	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR1642	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1642	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR1642	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR1642	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR1642	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1642	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR1642	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR1642	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1642	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR1642	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR1642	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR1642	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR1642	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR1642	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1642	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR1642	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR1642	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1642	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1642	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1642	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR1642	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1642	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR1642	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR1642	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1642	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR1642	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR1642	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR1642	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR1642	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR1642	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR1642	O=COCc1ccc(OC)cc1	C122918
PADEL_KR1645	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR1645	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1645	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1645	Clc1c(ccc(c1)N)C	C95749
PADEL_KR1645	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR1645	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR1645	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR1645	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR1645	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1645	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR1645	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR1645	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR1645	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1645	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR1645	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR1645	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR1645	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR1645	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR1645	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR1645	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR1645	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR1645	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR1645	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR1645	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR1645	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1645	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR1645	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR1645	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1645	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1645	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1645	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR1645	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1645	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1645	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1645	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR1645	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR1645	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1645	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR1645	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR1645	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR1645	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR1645	Oc1ccc2ccccc2c1	C135193
PADEL_KR1645	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1645	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR1645	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR1645	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR1645	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR1645	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR1645	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1645	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR1645	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR1645	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR1645	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR1645	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR1645	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR1645	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1645	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1645	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR1645	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR1645	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR1645	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR1645	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR1645	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR1645	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR1645	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR1645	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR1645	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR1645	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR1645	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR1645	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1645	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1645	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1645	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR1645	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1645	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR1645	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR1645	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR1645	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR1645	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR1645	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR1645	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR1645	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR1645	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1645	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR1645	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR1645	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR1645	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1645	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR1645	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR1645	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1645	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1645	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1645	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR1645	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1645	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR1645	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR1645	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1645	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR1645	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR1645	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1645	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1645	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR1645	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR1645	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR1645	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR1645	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR1645	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR1645	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR1645	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR1645	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR1645	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR1645	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1645	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1645	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR1645	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1645	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1645	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR1645	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR1645	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR1645	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR1645	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1645	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR1645	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR1645	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1645	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1645	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR1645	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1645	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1645	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1645	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR1645	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1645	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR1645	Nc1cc(ccc1OC)C	C120718
PADEL_KR1645	Nc1c(ccc(c1)N)C	C95807
PADEL_KR1645	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1645	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR1645	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1645	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1645	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR1645	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR1645	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR1645	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR1645	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1645	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1645	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR1645	Cc1cc2cccnc2cc1	C91623
PADEL_KR1645	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR1645	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR1645	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1645	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1645	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR1645	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR1645	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR1645	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1645	Cc1c(ccc(c1)C)C	C95636
PADEL_KR1645	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1645	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR1645	Oc1c(C)cc(C)cc1	C105679
PADEL_KR1645	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1645	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR1645	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR1645	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR1645	Oc1cc(C)c(C)cc1	C95658
PADEL_KR1645	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1645	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR1645	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR1645	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR1645	Nc1cc(C)ccc1N	C496720
PADEL_KR1645	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1645	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR1645	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1645	Oc1c(ccc(C)c1)C	C95874
PADEL_KR1645	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR1645	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR1645	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR1645	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1645	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR1645	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR1645	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1645	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1645	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1645	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR1645	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1645	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR1645	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1645	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1645	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR1645	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR1645	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1645	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1645	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR1645	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR1645	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR1645	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR1645	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR1645	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1645	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR1645	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR1645	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR1645	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1645	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR1645	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1645	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1645	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR1645	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR1645	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1645	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR1645	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR1645	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR1645	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR1645	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1645	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR1645	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1645	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1645	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR1645	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1645	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR1645	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1645	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1645	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR1645	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR1645	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR1645	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR1645	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1645	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1645	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1645	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR1645	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR1645	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR1645	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR1645	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1645	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1645	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR1645	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1645	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1645	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR1645	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR1645	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR1645	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR1645	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR1645	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1645	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR1645	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR1645	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1645	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1645	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR1645	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR1645	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR1645	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR1645	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR1645	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR1645	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR1645	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1645	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR1645	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR1645	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR1645	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR1645	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR1645	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR1645	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1645	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR1645	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR1645	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR1645	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1645	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1645	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR1645	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR1645	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR1645	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR1645	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR1645	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR1645	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1645	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR1645	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR1645	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR1645	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR1645	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR1645	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR1645	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1645	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR1645	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR1645	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1645	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR1645	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1645	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1645	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1645	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1645	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1645	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1645	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1645	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR1645	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1645	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1645	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR1645	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1645	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1645	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1645	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR1645	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR1645	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR1645	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1645	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR1645	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR1645	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR1645	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR1645	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1645	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR1646	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_KR1646	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR1646	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1646	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR1646	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR1646	c12ncccc1ccc1c2nccc1	C66717
PADEL_KR1646	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR1646	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR1646	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1646	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR1646	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR1646	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR1646	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1646	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1646	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR1646	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1646	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR1646	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR1646	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR1646	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR1646	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR1646	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR1646	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR1646	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1646	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR1646	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PADEL_KR1646	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PADEL_KR1646	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR1646	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR1646	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR1646	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR1646	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR1646	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR1646	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR1646	c12ccccc1ccc1c2cccn1	C85029
PADEL_KR1646	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR1646	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR1646	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_KR1646	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR1646	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR1646	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR1646	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR1647	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1647	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR1647	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR1647	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR1647	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR1647	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR1648	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1648	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR1648	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1648	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1648	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR1648	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR1648	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1648	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR1648	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR1648	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1649	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1649	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1652	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR1652	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1652	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1652	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1652	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1652	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR1652	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR1652	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR1652	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR1652	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR1652	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1652	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1652	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1652	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR1652	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR1652	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR1652	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1652	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR1652	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR1652	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR1652	Cc1c(ccc(c1)C)C	C95636
PADEL_KR1652	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR1652	Oc1c(C)cc(C)cc1	C105679
PADEL_KR1652	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR1652	Oc1cc(C)c(C)cc1	C95658
PADEL_KR1652	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1652	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR1652	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR1652	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1652	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1652	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR1652	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1653	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR1653	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1653	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR1653	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR1653	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR1653	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR1653	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR1653	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR1653	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR1653	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1653	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR1653	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR1653	Oc1c(ccc(C)c1)C	C95874
PADEL_KR1653	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR1653	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1653	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR1653	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR1653	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR1653	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1654	Clc1c(ccc(c1)N)C	C95749
PADEL_KR1654	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR1654	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR1654	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR1654	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1654	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1654	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1654	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR1654	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR1654	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1654	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR1654	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR1654	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR1654	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1654	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1654	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1654	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1654	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1654	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR1654	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR1654	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR1654	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR1654	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR1654	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR1654	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR1654	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1654	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1654	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1654	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR1654	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1654	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1654	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1654	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1654	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1654	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1654	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR1654	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1654	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1654	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1654	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR1654	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR1654	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1654	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR1654	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1654	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR1654	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1654	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1654	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1654	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR1654	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR1654	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR1654	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR1654	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR1654	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR1654	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR1654	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1654	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1654	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1654	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1654	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1654	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1654	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR1655	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR1655	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR1656	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR1657	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR1659	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR1659	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR1659	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR1659	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR1659	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR1659	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR1659	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR1659	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR1659	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR1659	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1662	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR1662	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR1662	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR1662	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR1662	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR1663	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR1663	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR1663	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR1663	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_KR1664	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR1664	CC(C)c1ccc(C)cc1	C99876
PADEL_KR1664	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR1670	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR1670	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR1670	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR1670	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR1670	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR1670	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1670	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1670	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR1670	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR1670	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR1670	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR1670	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR1670	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1670	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR1670	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR1672	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1672	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1672	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1672	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR1672	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1672	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1672	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR1672	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1672	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1672	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1672	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1672	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1672	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1672	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1672	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1672	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1672	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1672	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR1672	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1672	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR1672	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR1673	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1673	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR1673	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR1673	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR1673	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1673	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1673	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR1673	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR1673	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR1673	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR1673	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1676	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1677	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR1677	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1677	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR1677	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1677	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR1677	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1677	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1677	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR1682	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR1683	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1684	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR1684	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR1686	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR1686	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR1686	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_KR1686	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1707	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR1707	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR1707	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR1707	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR1707	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR1707	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR1707	CN(C)c1ccc(C)cc1	C99978
PADEL_KR1707	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR1707	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR1710	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR1712	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR1724	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1724	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR1724	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1724	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR1724	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR1724	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR1724	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1724	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR1724	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR1724	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1724	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR1724	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1724	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR1724	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR1724	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1724	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR1724	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR1724	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR1724	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR1724	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1724	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR1724	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1724	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1724	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR1724	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1724	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1724	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR1724	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR1724	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR1724	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1724	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1724	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1724	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR1724	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR1724	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1724	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR1724	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1724	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR1725	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR1725	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1726	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR1726	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR1726	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR1726	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1727	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR1727	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR1727	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR1732	O=Cc1ccc(OC)cc1	C123115
PADEL_KR1732	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR1733	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1733	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR1733	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1733	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1733	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1733	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR1733	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1733	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1733	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1733	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR1733	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR1733	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR1733	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1733	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR1733	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1733	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1733	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR1734	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR1735	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR1736	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR1736	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1736	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR1736	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR1736	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR1736	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR1738	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1740	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR1740	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1740	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR1741	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1741	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1741	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1741	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR1741	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1742	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR1743	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR1746	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1746	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1746	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR1747	Oc1ccc(CCC)cc1	C645567
PADEL_KR1747	COc1ccc(CCC)cc1	C104450
PADEL_KR1747	Nc1ccc(CCC)cc1	C2696846
PADEL_KR1748	Oc1ccc(CC)cc1	C123079
PADEL_KR1748	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1749	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR1749	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR1749	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR1749	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR1749	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR1749	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR1750	C=Cc1ccc(cc1)C	C622979
PADEL_KR1750	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1750	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR1750	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR1750	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR1750	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR1750	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR1750	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR1750	Sc1ccc(C)cc1	C106456
PADEL_KR1750	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR1750	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR1750	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR1750	CN(C)c1ccc(C)cc1	C99978
PADEL_KR1750	Oc1ccc(C)cc1	C106445
PADEL_KR1750	Nc1ccc(C)cc1	C106490
PADEL_KR1750	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1750	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR1750	Cc1ccc(Cl)cc1	C106434
PADEL_KR1750	CC(C)c1ccc(C)cc1	C99876
PADEL_KR1750	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1750	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1750	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1750	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR1751	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR1751	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR1751	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR1751	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR1751	Cc1c(ccc(c1)C)C	C95636
PADEL_KR1751	Oc1c(C)cc(C)cc1	C105679
PADEL_KR1752	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR1753	Oc1c(ccc(C)c1)C	C95874
PADEL_KR1753	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR1753	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR1756	Clc1c(ccc(c1)N)C	C95749
PADEL_KR1756	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1756	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR1756	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR1756	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR1756	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR1756	Nc1c(ccc(c1)N)C	C95807
PADEL_KR1756	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1756	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1756	Cc1c(ccc(c1)C)C	C95636
PADEL_KR1756	Oc1cc(C)c(C)cc1	C95658
PADEL_KR1756	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR1756	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1756	Oc1c(ccc(C)c1)C	C95874
PADEL_KR1756	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR1756	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR1757	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1758	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR1758	Cc1c(ccc(c1)C)C	C95636
PADEL_KR1758	Oc1cc(C)c(C)cc1	C95658
PADEL_KR1758	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1758	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR1759	Nc1c(ccc(c1)N)C	C95807
PADEL_KR1759	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1761	Clc1c(ccc(c1)N)C	C95749
PADEL_KR1765	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR1765	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR1767	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR1767	Nc1ccc(cc1)N	C106503
PADEL_KR1767	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR1767	Nc1ccc(CCCC)cc1	C104132
PADEL_KR1767	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR1767	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR1767	O(c1ccc(N)cc1)CC	C156434
PADEL_KR1767	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR1767	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR1767	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR1767	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR1767	Nc1ccc(CCC)cc1	C2696846
PADEL_KR1767	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR1767	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR1767	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR1767	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_KR1767	Nc1ccc(cc1)Cl	C106478
PADEL_KR1767	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR1767	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR1767	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR1767	Nc1ccc(C)cc1	C106490
PADEL_KR1767	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR1767	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR1767	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR1767	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR1767	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1767	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR1767	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR1767	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR1767	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR1767	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR1767	Nc1ccc(Br)cc1	C106401
PADEL_KR1767	Nc1ccc(OC)cc1	C104949
PADEL_KR1767	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR1767	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR1768	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR1769	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR1769	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR1769	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR1769	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR1769	COc1ccc(cc1)O	C150765
PADEL_KR1769	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR1769	Oc1ccc(Cl)cc1	C106489
PADEL_KR1769	Oc1ccc(CC)cc1	C123079
PADEL_KR1769	Oc1ccc(CCC)cc1	C645567
PADEL_KR1769	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR1769	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR1769	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR1769	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR1769	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR1769	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR1769	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR1769	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR1769	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR1769	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR1769	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR1769	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR1769	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR1769	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR1769	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR1769	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR1769	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR1769	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR1769	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR1769	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR1769	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR1769	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR1769	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR1769	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR1769	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR1769	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR1769	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR1769	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR1769	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR1769	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR1769	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR1769	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR1769	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR1769	Oc1ccc(cc1)O	C123319
PADEL_KR1769	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR1769	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR1769	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR1769	Oc1ccc(C)cc1	C106445
PADEL_KR1769	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR1769	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR1769	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR1769	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR1769	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR1769	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR1769	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR1769	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR1769	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR1769	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR1769	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR1769	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR1769	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR1769	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR1769	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR1770	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR1770	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR1770	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR1770	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR1771	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR1771	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR1771	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR1771	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR1771	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1771	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1771	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR1771	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1771	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR1771	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR1771	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR1771	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1771	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1771	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1771	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1771	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR1771	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1771	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR1771	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1771	Oc1c(C)cc(C)cc1	C105679
PADEL_KR1771	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR1771	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR1771	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR1771	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR1771	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR1771	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR1771	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR1771	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR1771	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR1771	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR1771	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR1771	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR1771	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1771	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1772	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR1773	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR1773	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR1773	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR1773	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR1773	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR1775	Brc1ccc(F)cc1	C460004
PADEL_KR1775	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR1775	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1775	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR1775	Nc1ccc(Br)cc1	C106401
PADEL_KR1775	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1775	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR1776	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR1776	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1776	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR1784	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1786	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR1786	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR1786	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR1786	Oc1ccc(Cl)cc1	C106489
PADEL_KR1786	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR1786	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR1786	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR1786	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR1786	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1786	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR1786	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR1786	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR1786	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR1786	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR1786	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR1786	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR1786	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR1786	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR1786	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR1786	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR1786	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR1786	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR1786	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR1786	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR1786	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR1786	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR1786	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR1786	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR1786	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR1786	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR1786	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR1786	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR1786	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR1786	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR1786	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR1786	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR1786	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR1786	Nc1ccc(cc1)Cl	C106478
PADEL_KR1786	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR1786	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR1786	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR1786	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR1786	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR1786	Clc1ccc(cc1)Cl	C106467
PADEL_KR1786	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR1786	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR1786	Cc1ccc(Cl)cc1	C106434
PADEL_KR1786	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1786	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR1786	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR1786	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR1786	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1786	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR1786	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR1786	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR1786	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR1786	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR1786	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR1786	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR1786	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR1786	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR1786	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR1786	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR1786	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR1786	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR1786	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR1786	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR1786	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR1787	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR1787	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR1787	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR1787	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1787	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1787	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1787	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR1787	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1787	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR1787	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR1787	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1787	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR1787	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR1787	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1787	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR1787	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR1787	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR1787	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1787	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1787	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR1787	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1787	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR1787	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1787	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR1787	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR1787	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR1787	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR1787	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR1787	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1787	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1787	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR1787	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1787	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1787	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1787	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1787	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR1787	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1787	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1787	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1787	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR1787	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1787	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR1787	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR1787	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1787	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR1787	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1787	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1787	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1787	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR1787	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR1787	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR1787	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR1787	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR1787	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1787	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1787	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR1787	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR1788	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1788	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR1788	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR1788	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR1788	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR1791	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR1791	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR1791	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR1791	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR1791	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR1791	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR1791	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR1791	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR1791	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR1791	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR1791	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR1791	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR1791	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR1791	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR1791	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR1791	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR1791	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR1791	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1791	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR1791	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1791	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR1791	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR1791	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR1791	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR1791	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR1791	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR1792	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR1793	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1793	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR1793	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1793	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR1793	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1793	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR1793	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR1793	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1793	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1793	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR1793	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR1793	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1793	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1793	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1793	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR1793	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR1793	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1793	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR1793	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1793	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1793	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1793	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1793	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1794	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1795	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR1796	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR1796	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR1796	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1796	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR1796	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR1796	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1796	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1796	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR1796	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR1796	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR1796	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1796	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR1796	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR1796	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR1796	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR1796	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1796	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR1798	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR1798	Brc1ccc(F)cc1	C460004
PADEL_KR1798	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR1798	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR1798	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR1798	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR1798	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR1798	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR1798	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR1798	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR1798	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR1798	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR1798	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR1798	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR1798	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR1798	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR1798	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR1798	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR1798	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR1798	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR1798	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR1798	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR1799	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR1799	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR1800	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR1801	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR1808	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR1809	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR1811	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR1811	C=CCc1ccc(cc1)OC	C140670
PADEL_KR1811	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR1811	COc1ccc(cc1)O	C150765
PADEL_KR1811	COc1ccc(OC)cc1	C150787
PADEL_KR1811	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR1811	O=Cc1ccc(OC)cc1	C123115
PADEL_KR1811	COc1ccc(CCC)cc1	C104450
PADEL_KR1811	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR1811	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR1811	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR1811	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR1811	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR1811	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR1811	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR1811	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR1811	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR1811	Nc1ccc(OC)cc1	C104949
PADEL_KR1811	O=COCc1ccc(OC)cc1	C122918
PADEL_KR1814	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR1814	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR1816	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR1816	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR1816	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR1820	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR1822	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR1822	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR1822	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR1824	Oc1ccc2ccccc2c1	C135193
PADEL_KR1824	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR1824	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR1824	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR1824	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR1824	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR1826	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_KR1826	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR1826	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR1826	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR1826	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR1826	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR1826	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR1826	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PADEL_KR1826	c12ccccc1ccc1c2cccn1	C85029
PADEL_KR1826	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR1834	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR1834	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR1834	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1836	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR1838	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR1844	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR1847	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR1847	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR1849	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR1849	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR1854	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR1856	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR1856	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR1857	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR1857	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR1861	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR1867	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR1870	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR1874	Cc1cc2cccnc2cc1	C91623
PADEL_KR1894	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR1895	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR1895	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR1895	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR1895	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR1895	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR1895	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR1905	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR1907	O=C(c1ccncc1)NN	C54853
PADEL_KR1907	c1(c2ccncc2)ccncc1	C553264
PADEL_KR1907	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR1907	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1907	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR1907	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR1909	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR1910	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR1910	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR1910	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR1917	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR1917	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR1919	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR1920	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR1920	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR1920	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR1922	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR1923	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR1926	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR1926	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR1926	Cc1cc(C)cc(O)c1	C108689
PADEL_KR1926	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR1926	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR1926	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR1926	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1926	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR1926	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1926	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1926	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1926	Cc1cc(C)cc(C)c1	C108678
PADEL_KR1926	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR1926	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR1926	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1926	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR1926	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR1926	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR1928	Cc1cc(C)cc(O)c1	C108689
PADEL_KR1928	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1928	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1928	Cc1cc(C)cc(C)c1	C108678
PADEL_KR1928	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR1931	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_KR1931	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR1931	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR1931	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR1931	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR1931	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR1931	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR1931	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR1931	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR1931	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR1931	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR1931	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR1931	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR1931	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR1931	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR1931	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR1931	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR1931	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR1931	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR1931	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR1931	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR1931	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR1931	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR1931	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR1931	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR1931	c1ccc2cc3ccccc3cc2c1	C120127
PADEL_KR1931	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR1931	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR1931	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR1931	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR1931	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR1931	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR1931	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR1931	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR1931	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR1931	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR1931	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR1931	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1931	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1931	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR1931	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR1931	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR1931	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR1931	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR1931	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR1931	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR1931	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR1931	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR1931	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR1931	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR1931	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR1931	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR1931	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR1931	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR1931	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR1931	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR1931	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR1931	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR1931	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR1932	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1932	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR1932	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR1932	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR1932	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR1932	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR1932	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR1932	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR1932	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR1932	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR1932	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR1932	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR1932	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1932	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR1932	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR1932	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1932	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1932	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR1932	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR1932	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR1932	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR1932	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR1932	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1932	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR1932	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR1932	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1932	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR1932	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR1932	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR1932	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1932	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR1932	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR1932	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR1932	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR1932	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR1932	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR1932	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR1932	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR1932	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR1932	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR1932	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR1932	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR1932	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR1932	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR1932	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR1932	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1932	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR1932	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR1932	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR1932	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR1932	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR1932	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR1932	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR1932	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR1932	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1932	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR1932	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR1932	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR1932	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR1932	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR1932	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1932	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1932	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR1932	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR1932	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1932	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR1932	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR1932	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR1932	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR1932	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR1932	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR1932	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR1932	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR1932	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR1932	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR1932	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR1932	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR1932	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR1932	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1932	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR1932	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR1932	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR1932	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR1932	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR1932	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1932	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR1932	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR1932	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR1932	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR1932	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR1932	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1932	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1932	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR1932	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1932	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR1932	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR1932	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1932	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR1932	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR1932	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR1933	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR1933	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR1933	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR1933	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR1933	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR1933	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR1933	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR1933	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR1933	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR1933	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR1933	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR1933	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR1933	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR1933	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR1933	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PADEL_KR1933	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR1933	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR1933	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR1933	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR1933	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR1933	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR1933	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR1933	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR1933	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR1933	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR1933	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR1933	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR1933	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR1933	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR1934	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR1939	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR1939	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR1939	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR1945	OCn1nc(C)cc1C	C85264331
PADEL_KR1945	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR1945	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR1945	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR1945	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR1947	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR1947	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR1947	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR1947	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR1947	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR1947	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR1947	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR1947	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR1947	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR1947	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR1947	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR1947	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR1947	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR1947	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR1947	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR1947	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR1947	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR1947	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR1947	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR1948	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR1948	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR1948	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR1948	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR1949	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR1950	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR1950	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR1950	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR1951	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR1952	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR1953	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR1955	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR1955	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR1956	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR1957	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR1961	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1962	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR1963	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR1963	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR1963	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR1963	Cc1c(ccc(c1)C)C	C95636
PADEL_KR1963	Oc1c(ccc(C)c1)C	C95874
PADEL_KR1965	Cc1cc(C)cc(O)c1	C108689
PADEL_KR1965	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR1965	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR1965	Cc1cc(C)cc(C)c1	C108678
PADEL_KR1967	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR1974	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR1975	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR1975	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR1979	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR1979	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1979	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1980	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR1980	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR1980	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR1982	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR1982	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR1982	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR1982	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR1982	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR1982	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR1983	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR1983	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR1983	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR1983	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR1983	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR1983	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR1983	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR1983	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR1985	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR1985	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR1985	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR1985	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR1985	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR1985	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR1986	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR1986	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR1986	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR1987	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR1987	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR1987	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR1987	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR1987	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR1987	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR1989	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR1989	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR1989	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR1989	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR1989	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR1989	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR1989	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR1989	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR1989	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR1990	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR1990	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR1990	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR1990	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR1990	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR1990	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR1999	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR1999	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR2000	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2002	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR2002	c1ccc2cc3ccccc3cc2c1	C120127
PADEL_KR2002	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR2002	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR2002	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR2002	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2002	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2003	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR2003	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2003	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2006	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR2012	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR2012	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2014	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR2024	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2024	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR2024	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2024	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2024	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR2024	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR2024	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR2024	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2024	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2024	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR2024	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2025	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR2025	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR2026	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR2026	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR2029	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR2029	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR2030	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2034	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2034	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR2034	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR2034	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR2037	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2037	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2046	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR2047	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR2048	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR2055	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR2066	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR2066	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR2066	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR2066	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2066	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR2066	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2066	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2066	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR2066	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR2066	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2066	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2066	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2066	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR2068	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR2068	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR2069	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR2069	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR2069	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR2071	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR2078	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2078	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2078	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2078	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2082	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2082	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR2082	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2082	Oc1c(cccc1C)C	C576261
PADEL_KR2082	Nc1c(cccc1C)C	C87627
PADEL_KR2082	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2083	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR2084	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR2084	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR2084	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR2084	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR2094	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR2094	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR2094	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR2096	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR2096	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR2098	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR2101	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR2101	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2101	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR2101	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR2101	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR2101	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR2102	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2102	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR2103	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR2103	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR2103	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR2103	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR2103	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR2103	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2103	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR2103	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR2104	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2106	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2109	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR2125	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR2127	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2132	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2132	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR2132	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR2132	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR2133	c1(nc[nH]n1)N	C61825
PADEL_KR2135	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2135	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_KR2135	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2135	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR2135	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR2135	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2135	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR2135	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR2137	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR2137	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR2137	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2137	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2137	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2137	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR2137	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR2137	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR2139	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2142	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR2149	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_KR2149	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR2149	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2149	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR2150	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2150	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR2150	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR2150	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR2150	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2150	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_KR2151	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR2151	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR2151	Sc1nc2c(cccc2)s1	C149304
PADEL_KR2151	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2151	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2151	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2151	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2154	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR2154	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2154	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR2154	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2154	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR2155	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR2155	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2155	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR2155	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR2155	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR2155	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR2155	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR2155	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR2155	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR2155	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR2155	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR2155	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR2155	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR2155	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR2155	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2155	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR2155	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR2155	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR2155	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2155	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2155	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2155	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2155	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2155	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2155	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2155	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR2155	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2156	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2158	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR2158	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR2158	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR2158	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR2158	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR2158	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR2158	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR2158	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR2158	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR2163	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2163	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR2163	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2163	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2163	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2163	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2163	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2163	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2167	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR2167	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR2170	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR2170	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2172	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2172	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2172	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2172	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2172	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2172	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2172	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2174	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR2174	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR2176	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR2179	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR2179	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR2184	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_KR2184	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR2184	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2184	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR2186	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2191	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR2191	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2194	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR2194	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR2194	Sc1nc2c(cccc2)s1	C149304
PADEL_KR2197	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2197	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2197	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR2197	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2202	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2212	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR2212	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR2212	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2212	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2212	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR2212	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2212	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2212	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2218	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR2218	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR2220	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR2221	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR2221	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2227	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR2233	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR2235	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2242	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2242	c12ccccc1c1c(cccc1)s2	C132650
PADEL_KR2242	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR2242	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2246	c12ccccc1c1c(cccc1)s2	C132650
PADEL_KR2250	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2259	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR2259	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR2259	Clc1c(ccc(c1)N)C	C95749
PADEL_KR2259	O=CCCl	C107200
PADEL_KR2259	ClCOC	C107302
PADEL_KR2259	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2259	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2259	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR2259	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR2259	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR2259	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2259	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2259	OC(CO)CCl	C96242
PADEL_KR2259	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR2259	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR2259	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR2259	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2259	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR2259	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR2259	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR2259	ClCC(Cl)CCl	C96184
PADEL_KR2259	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR2259	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR2259	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR2259	Oc1ccc(Cl)cc1	C106489
PADEL_KR2259	C=CC(Cl)CCl	C760236
PADEL_KR2259	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR2259	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR2259	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2259	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR2259	Cl/C=C/Cl	C156605
PADEL_KR2259	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR2259	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2259	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2259	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR2259	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2259	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR2259	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR2259	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR2259	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_KR2259	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_KR2259	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR2259	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2259	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR2259	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR2259	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR2259	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR2259	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR2259	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR2259	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR2259	ClP(c1ccccc1)Cl	C644973
PADEL_KR2259	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR2259	Cl[Sn](C)(C)Cl	C753731
PADEL_KR2259	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR2259	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR2259	Clc1cccc(C)c1	C25168052
PADEL_KR2259	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR2259	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR2259	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR2259	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2259	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_KR2259	ClC(Cl)(C)C	C594207
PADEL_KR2259	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR2259	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2259	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR2259	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR2259	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR2259	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR2259	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2259	Clc1c(Cl)ssc1=O	C1192525
PADEL_KR2259	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR2259	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2259	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2259	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2259	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR2259	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR2259	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR2259	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2259	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR2259	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR2259	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2259	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR2259	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR2259	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2259	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR2259	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR2259	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR2259	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR2259	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2259	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2259	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR2259	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR2259	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR2259	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2259	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR2259	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR2259	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2259	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2259	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2259	Cl[Dy](Cl)Cl	C10025748
PADEL_KR2259	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR2259	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR2259	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2259	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR2259	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_KR2259	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR2259	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR2259	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR2259	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2259	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR2259	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR2259	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR2259	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2259	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2259	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR2259	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR2259	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR2259	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR2259	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2259	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2259	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2259	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2259	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR2259	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2259	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR2259	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR2259	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2259	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR2259	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR2259	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR2259	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR2259	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR2259	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR2259	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR2259	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2259	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR2259	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2259	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR2259	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_KR2259	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2259	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2259	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR2259	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2259	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR2259	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2259	ClCCP(=O)(O)O	C16672870
PADEL_KR2259	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2259	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR2259	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2259	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2259	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2259	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR2259	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR2259	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR2259	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2259	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR2259	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR2259	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2259	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR2259	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2259	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR2259	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR2259	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2259	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2259	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR2259	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_KR2259	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR2259	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR2259	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR2259	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2259	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR2259	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR2259	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2259	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2259	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR2259	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2259	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR2259	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2259	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2259	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR2259	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR2259	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR2259	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR2259	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR2259	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR2259	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR2259	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2259	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2259	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2259	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2259	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR2259	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2259	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR2259	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR2259	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR2259	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2259	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2259	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR2259	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2259	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR2259	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2259	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR2259	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2259	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR2259	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2259	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR2259	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR2259	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR2259	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2259	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2259	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR2259	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR2259	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR2259	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2259	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2259	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2259	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2259	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2259	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2259	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2259	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR2259	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR2259	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR2259	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2259	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2259	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2259	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR2259	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR2259	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR2259	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2259	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR2259	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR2259	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2259	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR2259	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR2259	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2259	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR2259	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR2259	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR2259	ClCCOCCCl	C111444
PADEL_KR2259	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR2259	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR2259	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR2259	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR2259	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR2259	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR2259	O=C(c1ccccc1)CCl	C532274
PADEL_KR2259	Nc1ccc(cc1)Cl	C106478
PADEL_KR2259	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2259	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2259	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2259	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR2259	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR2259	OC(=O)C(Cl)Cl	C79436
PADEL_KR2259	Clc1c(cccc1)Cl	C95501
PADEL_KR2259	Clc1ccc(cc1)Cl	C106467
PADEL_KR2259	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR2259	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR2259	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR2259	O=C(N(C)C)Cl	C79447
PADEL_KR2259	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR2259	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR2259	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR2259	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR2259	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR2259	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR2259	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2259	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR2259	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR2259	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR2259	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR2259	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR2259	Oc1ccccc1Cl	C95578
PADEL_KR2259	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR2259	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR2259	ClCCO	C107073
PADEL_KR2259	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR2259	Clc1cc(Cl)ccc1	C541731
PADEL_KR2259	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_KR2259	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2259	Cc1ccccc1Cl	C95498
PADEL_KR2259	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR2259	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2259	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR2259	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR2259	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR2259	Cc1ccc(Cl)cc1	C106434
PADEL_KR2259	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2259	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR2259	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR2259	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR2259	OC(CCl)CCl	C96231
PADEL_KR2259	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR2259	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR2259	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR2259	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR2259	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR2259	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR2259	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR2259	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR2259	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2259	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2259	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR2259	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR2259	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR2259	O=c1n(C)sc(Cl)c1	C26172554
PADEL_KR2259	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR2259	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR2259	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR2259	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR2259	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2259	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR2259	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR2259	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2259	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR2259	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR2259	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR2259	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2259	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2259	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR2259	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2259	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2259	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR2259	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2259	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2259	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2259	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2259	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR2259	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2259	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR2259	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR2259	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2259	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2259	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR2259	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2259	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2259	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR2259	[Na+].[O-][Cl]=O	C7758192
PADEL_KR2259	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2259	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR2259	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2259	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR2259	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR2259	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR2259	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2259	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR2259	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2259	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2259	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2259	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2259	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR2259	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR2259	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2259	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR2259	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR2259	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR2259	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2259	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2259	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR2259	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR2259	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR2259	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2259	O=C(CCl)CCl	C534076
PADEL_KR2259	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2259	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2259	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR2259	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR2259	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR2259	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR2259	ClC(=O)C(CC)CCCC	C760678
PADEL_KR2259	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR2259	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR2259	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR2259	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR2259	Cl[In](Cl)Cl	C10025828
PADEL_KR2259	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR2259	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2259	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2259	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2259	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR2259	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR2259	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2259	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2259	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR2259	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR2259	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR2259	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR2259	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR2259	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR2259	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR2259	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR2259	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR2259	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR2259	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR2259	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR2259	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2259	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2259	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2259	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2259	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR2259	Cl[Hg]c1ccccc1	C100561
PADEL_KR2259	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR2259	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR2259	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR2259	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR2259	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR2259	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2259	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_KR2259	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2259	Cl[Sb](Cl)Cl	C10025919
PADEL_KR2259	Cl[Au](Cl)Cl	C13453071
PADEL_KR2259	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2259	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR2259	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2259	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR2259	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR2259	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2259	Cl[In](Cl)Cl.O.O	C143983919
PADEL_KR2259	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2260	F[B-](F)(F)F.[Na+]	C13755298
PADEL_KR2260	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR2260	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR2260	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2260	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR2260	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR2260	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2260	[Na+].[O-]C(=O)CF	C62748
PADEL_KR2260	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR2260	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR2260	Brc1ccc(F)cc1	C460004
PADEL_KR2260	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2260	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2260	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR2260	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2260	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR2260	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_KR2260	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR2260	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR2260	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR2260	O=C(CF)O	C144490
PADEL_KR2260	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR2260	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR2260	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2260	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2260	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR2260	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2260	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2260	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2260	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR2260	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2260	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR2260	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR2260	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2260	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR2260	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR2260	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2260	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR2260	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2260	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR2260	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR2260	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR2260	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR2260	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2260	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2260	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2260	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2260	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2260	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2260	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2260	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR2260	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR2260	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2260	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2260	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2260	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2260	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2260	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2260	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2260	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR2260	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2260	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2260	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2260	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2260	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2260	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR2260	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2260	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2260	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2260	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2260	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR2260	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2260	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2260	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2260	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR2260	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR2260	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR2260	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR2260	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2260	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR2260	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR2260	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR2260	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR2260	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR2260	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR2260	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR2260	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR2260	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR2260	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR2260	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR2260	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR2260	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR2260	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR2260	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR2260	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR2260	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2260	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR2260	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2260	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2260	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2260	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR2260	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2260	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR2260	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2260	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR2260	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2260	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2260	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR2260	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR2260	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2260	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2260	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR2260	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2260	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR2260	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2260	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2260	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR2260	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR2260	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR2260	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR2260	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR2260	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR2260	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR2260	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2260	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2260	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR2260	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR2260	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR2260	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR2260	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2260	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR2260	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR2260	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2260	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR2260	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR2260	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR2260	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR2260	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2260	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2260	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR2260	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR2260	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR2260	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR2260	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR2260	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2260	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2260	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2260	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2260	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR2260	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2260	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2260	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2260	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR2260	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2260	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2260	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2260	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2260	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR2260	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR2260	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2260	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR2260	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR2260	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR2260	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2260	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2260	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2260	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2260	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR2260	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2260	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2260	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2260	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2260	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR2260	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2260	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_KR2260	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2260	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR2260	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2261	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR2261	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR2261	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR2261	[Na]I	C7681825
PADEL_KR2261	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR2261	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR2261	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR2261	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2261	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR2261	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR2261	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR2261	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR2261	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR2261	IC(=C(I)I)I	C513928
PADEL_KR2261	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR2262	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR2262	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2262	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2262	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR2262	CN(C)C(=O)C	C127195
PADEL_KR2262	CN(CCO)C	C108010
PADEL_KR2262	CN(C)N	C57147
PADEL_KR2262	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2262	CN(C(=O)N)N=O	C684935
PADEL_KR2262	CN(N=O)C	C62759
PADEL_KR2262	O=NN1CCCC1	C930552
PADEL_KR2262	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2262	OCCN1CCNCC1	C103764
PADEL_KR2262	NCCN1CCNCC1	C140318
PADEL_KR2262	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2262	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR2262	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2262	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2262	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2262	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR2262	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR2262	N(CCCN)(C)C	C109557
PADEL_KR2262	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2262	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR2262	N(C)(C)C	C75503
PADEL_KR2262	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR2262	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR2262	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR2262	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2262	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR2262	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR2262	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR2262	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR2262	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR2262	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR2262	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR2262	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR2262	CN1CCOCC1	C109024
PADEL_KR2262	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR2262	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2262	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR2262	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2262	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2262	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR2262	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR2262	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR2262	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR2262	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR2262	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2262	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2262	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2262	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2262	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR2262	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2262	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR2262	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR2262	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2262	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR2262	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2262	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR2262	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR2262	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR2262	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR2262	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2262	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR2262	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR2262	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR2262	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2262	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR2262	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR2262	Oc1ccccc1CN(C)C	C120650
PADEL_KR2262	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR2262	NCCCN1CCOCC1	C123002
PADEL_KR2262	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2262	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2262	OCCN(CC)CCO	C139877
PADEL_KR2262	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2262	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR2262	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR2262	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR2262	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2262	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR2262	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR2262	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR2262	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR2262	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2262	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR2262	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR2262	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2262	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2262	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR2262	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR2262	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2262	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2262	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR2262	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2262	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2262	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2262	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR2262	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR2262	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2262	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR2262	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR2262	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2262	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2262	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR2262	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR2262	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2262	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR2262	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2262	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR2262	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR2262	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR2262	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR2262	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR2262	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2262	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2262	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2262	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2262	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR2262	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2262	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2262	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR2262	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2262	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2262	CN1CN(C)CSC1=S	C533744
PADEL_KR2262	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR2262	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2262	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2262	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2262	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2262	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR2262	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2262	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2262	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2262	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2262	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR2262	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2262	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2262	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR2262	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR2262	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2262	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR2262	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2262	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2262	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR2262	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2262	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR2262	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR2262	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR2262	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2262	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2262	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2262	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR2262	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2262	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2262	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR2262	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR2262	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR2262	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR2262	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2262	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR2262	CN(c1ccccc1)C	C121697
PADEL_KR2262	O=C(N(C)C)Cl	C79447
PADEL_KR2262	CN(C=O)C	C68122
PADEL_KR2262	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2262	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2262	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR2262	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR2262	O=C1N(CCC1)C	C872504
PADEL_KR2262	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR2262	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR2262	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR2262	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR2262	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR2262	O=NN(CCCC)CCCC	C924163
PADEL_KR2262	CCN(CC)N=O	C55185
PADEL_KR2262	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR2262	O=NN(CCC)CCC	C621647
PADEL_KR2262	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2262	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2262	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2262	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2262	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR2262	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2262	OCCN(CCO)CCO	C102716
PADEL_KR2262	O=C1N(C=C)CCC1	C88120
PADEL_KR2262	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR2262	CCN(CC)c1ccccc1	C91667
PADEL_KR2262	CN(C)c1ccc(C)cc1	C99978
PADEL_KR2262	CCN(CCO)CC	C100378
PADEL_KR2262	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR2262	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR2262	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2262	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2262	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2262	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR2262	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2262	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR2262	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2262	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR2262	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR2262	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR2262	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR2262	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR2262	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR2262	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2262	CCC12N(COC1)COC2	C7747355
PADEL_KR2262	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2262	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR2262	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR2262	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR2262	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR2262	CCCCCCCCN(C)C	C7378996
PADEL_KR2262	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR2262	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2262	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR2262	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR2262	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR2262	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR2262	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR2262	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR2262	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR2262	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR2262	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR2262	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2262	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR2262	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR2262	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2262	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR2262	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2262	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2262	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR2262	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR2262	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2262	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2262	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2262	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2262	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR2262	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2262	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2262	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2262	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2262	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR2262	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2262	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2262	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR2262	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2262	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR2262	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2262	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2262	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2262	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2262	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR2262	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR2262	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR2262	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR2262	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2262	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2262	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2262	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2262	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2262	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR2262	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR2262	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR2262	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2262	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2262	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR2262	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2262	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2262	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2262	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2262	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2262	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR2262	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2262	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2262	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR2262	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR2262	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2262	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2262	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2262	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR2262	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2262	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2262	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR2262	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2262	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2262	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR2262	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2262	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR2262	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2262	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2262	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR2262	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2262	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2262	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2262	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR2262	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2262	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2262	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2262	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2262	N(CCN(C)C)(C)C	C110189
PADEL_KR2262	CCN(CC)CC	C121448
PADEL_KR2262	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR2262	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2262	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2262	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR2262	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR2262	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2262	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR2262	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2262	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2262	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR2262	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2262	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR2262	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2262	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2262	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2262	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2262	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2262	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2262	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2262	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2262	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR2262	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR2262	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2262	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2262	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR2262	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR2262	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2262	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2262	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2262	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2262	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR2262	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR2262	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2262	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR2262	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR2262	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR2262	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2262	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2262	O=CN1CCCCC1	C2591868
PADEL_KR2262	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR2262	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR2262	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR2262	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR2262	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2262	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR2262	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2262	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR2262	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR2262	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR2262	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR2262	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2262	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR2262	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR2262	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2262	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR2262	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR2262	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2262	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2262	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2262	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2263	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR2263	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2263	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR2263	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2263	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR2263	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR2263	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2263	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2263	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR2263	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR2263	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2264	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR2264	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2264	CN(C)C(=O)C	C127195
PADEL_KR2264	CN(CCO)C	C108010
PADEL_KR2264	CN(C)N	C57147
PADEL_KR2264	CN(C(=O)N)N=O	C684935
PADEL_KR2264	CN(N=O)C	C62759
PADEL_KR2264	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR2264	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2264	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2264	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2264	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR2264	N(CCCN)(C)C	C109557
PADEL_KR2264	N(C)(C)C	C75503
PADEL_KR2264	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR2264	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR2264	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR2264	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR2264	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR2264	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR2264	CN1CCOCC1	C109024
PADEL_KR2264	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2264	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2264	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2264	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR2264	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2264	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR2264	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2264	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR2264	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2264	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR2264	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR2264	Oc1ccccc1CN(C)C	C120650
PADEL_KR2264	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR2264	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2264	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2264	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR2264	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR2264	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2264	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR2264	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR2264	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR2264	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2264	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2264	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2264	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR2264	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2264	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR2264	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2264	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR2264	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR2264	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR2264	CN1CN(C)CSC1=S	C533744
PADEL_KR2264	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2264	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2264	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2264	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR2264	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2264	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2264	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR2264	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2264	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR2264	CN(c1ccccc1)C	C121697
PADEL_KR2264	O=C(N(C)C)Cl	C79447
PADEL_KR2264	CN(C=O)C	C68122
PADEL_KR2264	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2264	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2264	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR2264	O=C1N(CCC1)C	C872504
PADEL_KR2264	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR2264	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR2264	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR2264	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2264	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2264	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2264	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR2264	CN(C)c1ccc(C)cc1	C99978
PADEL_KR2264	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2264	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2264	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2264	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2264	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR2264	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR2264	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR2264	CCCCCCCCN(C)C	C7378996
PADEL_KR2264	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2264	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR2264	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR2264	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR2264	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR2264	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2264	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2264	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2264	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2264	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2264	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR2264	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2264	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2264	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR2264	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2264	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2264	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2264	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2264	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR2264	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR2264	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2264	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2264	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2264	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2264	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2264	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2264	N(CCN(C)C)(C)C	C110189
PADEL_KR2264	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2264	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR2264	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2264	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR2264	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2264	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2264	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2264	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2264	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR2264	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR2264	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2264	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR2264	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR2264	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2264	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2264	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2264	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR2264	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR2264	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2264	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2264	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR2264	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR2264	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2264	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR2264	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR2264	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR2264	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2264	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2264	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR2264	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2265	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2265	CN(C)C(=O)C	C127195
PADEL_KR2265	CN(C(=O)N)N=O	C684935
PADEL_KR2265	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2265	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2265	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2265	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2265	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR2265	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR2265	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR2265	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR2265	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR2265	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR2265	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR2265	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR2265	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR2265	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2265	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2265	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR2265	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR2265	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR2265	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2265	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2265	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR2265	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR2265	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR2265	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2265	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR2265	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2265	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2265	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2265	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR2265	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2265	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR2265	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2265	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2265	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2265	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2265	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2265	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2265	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR2265	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR2265	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR2265	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2265	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR2265	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR2265	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2265	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR2265	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR2265	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR2265	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2265	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2265	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2265	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2265	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2265	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR2265	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2265	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2265	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR2265	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2265	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2265	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2265	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2265	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2265	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR2265	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2265	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2265	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR2265	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR2265	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2265	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR2265	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2265	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2265	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR2265	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR2265	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2265	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2265	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR2265	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2265	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR2265	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2265	O=C(N(C)C)Cl	C79447
PADEL_KR2265	O=C1N(CCC1)C	C872504
PADEL_KR2265	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR2265	O=C1N(C=C)CCC1	C88120
PADEL_KR2265	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR2265	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR2265	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2265	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2265	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR2265	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR2265	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2265	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR2265	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR2265	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR2265	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR2265	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR2265	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR2265	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR2265	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR2265	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2265	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2265	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2265	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2265	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2265	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR2265	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2265	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR2265	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2265	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2265	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2265	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2265	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR2265	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR2265	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2265	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2265	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2265	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2265	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR2265	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2265	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2265	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2265	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2265	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2265	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2265	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2265	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR2265	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2265	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2265	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2265	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR2265	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2265	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR2265	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2265	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2265	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2265	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR2265	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2265	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2265	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR2265	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2265	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2265	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2265	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2265	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2265	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2265	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2265	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2265	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2265	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2265	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2265	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR2265	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR2265	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR2265	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR2265	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR2265	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2265	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2266	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2267	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR2267	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR2267	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR2267	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR2267	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR2267	CN(c1ccccc1)C	C121697
PADEL_KR2267	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR2267	CCN(CC)c1ccccc1	C91667
PADEL_KR2267	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2267	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2267	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2267	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2267	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR2273	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR2273	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2276	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR2276	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR2276	O=NN(CCCC)CCCC	C924163
PADEL_KR2276	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2276	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR2277	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2277	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2283	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2283	OCCN(CC)CCO	C139877
PADEL_KR2283	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR2283	OCCN(CCO)CCO	C102716
PADEL_KR2283	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2283	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2283	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2283	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR2283	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR2287	OCCN(CC)CCO	C139877
PADEL_KR2287	CCN(CCO)CC	C100378
PADEL_KR2288	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2288	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2288	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2288	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR2288	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR2288	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR2288	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR2288	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR2288	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2288	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR2288	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2288	CCN(CC)N=O	C55185
PADEL_KR2288	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR2288	CCN(CC)c1ccccc1	C91667
PADEL_KR2288	CCN(CCO)CC	C100378
PADEL_KR2288	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR2288	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR2288	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2288	CCN(CC)CC	C121448
PADEL_KR2288	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR2288	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2288	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2289	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2289	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR2289	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2289	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2289	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2289	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2289	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2289	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2289	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2290	CCN(CC)c1ccccc1	C91667
PADEL_KR2290	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2296	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR2303	CN(CCO)C	C108010
PADEL_KR2304	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2304	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2305	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR2305	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2305	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR2305	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR2305	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR2305	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2306	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR2306	CN(C)C(=O)C	C127195
PADEL_KR2306	CN(CCO)C	C108010
PADEL_KR2306	CN(C)N	C57147
PADEL_KR2306	CN(N=O)C	C62759
PADEL_KR2306	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR2306	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2306	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2306	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR2306	N(CCCN)(C)C	C109557
PADEL_KR2306	N(C)(C)C	C75503
PADEL_KR2306	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR2306	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR2306	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR2306	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR2306	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR2306	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2306	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2306	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2306	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR2306	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2306	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2306	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR2306	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2306	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR2306	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR2306	Oc1ccccc1CN(C)C	C120650
PADEL_KR2306	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR2306	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2306	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR2306	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR2306	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2306	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2306	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2306	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR2306	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2306	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2306	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR2306	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR2306	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2306	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2306	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2306	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2306	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2306	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR2306	CN(c1ccccc1)C	C121697
PADEL_KR2306	O=C(N(C)C)Cl	C79447
PADEL_KR2306	CN(C=O)C	C68122
PADEL_KR2306	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2306	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2306	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR2306	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR2306	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2306	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2306	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR2306	CN(C)c1ccc(C)cc1	C99978
PADEL_KR2306	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2306	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2306	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2306	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR2306	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR2306	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR2306	CCCCCCCCN(C)C	C7378996
PADEL_KR2306	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2306	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR2306	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR2306	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2306	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2306	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2306	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2306	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2306	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2306	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR2306	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2306	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2306	N(CCN(C)C)(C)C	C110189
PADEL_KR2306	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR2306	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2306	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR2306	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2306	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2306	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR2306	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR2306	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR2306	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR2306	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2306	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2306	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2306	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR2306	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2306	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2306	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR2306	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR2306	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2306	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR2306	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR2306	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2306	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR2306	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2308	CN(C)C(=O)C	C127195
PADEL_KR2308	CN(C(=O)N)N=O	C684935
PADEL_KR2308	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2308	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2308	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR2308	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR2308	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR2308	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2308	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR2308	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2308	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2308	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2308	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2308	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2308	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2308	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR2308	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2308	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2308	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2308	O=C(N(C)C)Cl	C79447
PADEL_KR2308	O=C1N(CCC1)C	C872504
PADEL_KR2308	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2308	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR2308	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2308	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2308	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2308	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2308	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2308	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2308	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2308	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2308	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR2308	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2308	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2308	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2308	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2308	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2308	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2308	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2308	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2308	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2309	CN(C)C(=O)C	C127195
PADEL_KR2310	CN(c1ccccc1)C	C121697
PADEL_KR2312	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR2312	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2312	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2312	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2312	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR2312	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR2312	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR2312	CN(C)c1ccc(C)cc1	C99978
PADEL_KR2312	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2312	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR2314	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2314	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2314	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2314	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2314	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR2315	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR2315	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2315	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2322	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR2327	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR2334	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR2337	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR2337	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR2337	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR2365	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2367	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR2379	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR2379	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2379	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR2379	O=C(N)N=NC(=O)N	C123773
PADEL_KR2379	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR2379	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2379	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR2379	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR2379	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2379	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2379	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR2379	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2379	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2379	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR2379	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR2379	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2379	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2379	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR2379	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_KR2379	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR2379	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR2379	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR2379	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR2379	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2379	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR2379	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2379	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR2379	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2380	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR2380	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR2380	O=[N+](CC)[O-]	C79243
PADEL_KR2380	CN(C(=O)N)N=O	C684935
PADEL_KR2380	CN(N=O)C	C62759
PADEL_KR2380	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR2380	O=NN1CCCC1	C930552
PADEL_KR2380	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR2380	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR2380	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR2380	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2380	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR2380	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2380	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR2380	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_KR2380	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR2380	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2380	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR2380	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR2380	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR2380	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2380	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR2380	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2380	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2380	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR2380	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2380	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR2380	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2380	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2380	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2380	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2380	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2380	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2380	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2380	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2380	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR2380	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR2380	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2380	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2380	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR2380	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2380	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2380	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR2380	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2380	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR2380	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR2380	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2380	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2380	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR2380	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR2380	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR2380	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR2380	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR2380	O=N[O-].[Na+]	C7632000
PADEL_KR2380	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR2380	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR2380	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR2380	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR2380	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR2380	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR2380	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2380	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR2380	O=NN(CCCC)CCCC	C924163
PADEL_KR2380	CCN(CC)N=O	C55185
PADEL_KR2380	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR2380	O=NN(CCC)CCC	C621647
PADEL_KR2380	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR2380	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR2380	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR2380	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2380	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR2380	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR2380	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR2380	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2380	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR2380	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR2380	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR2380	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR2380	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR2380	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR2380	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR2380	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR2380	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR2380	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR2380	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR2380	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR2380	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR2380	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR2380	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR2380	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR2380	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR2380	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR2380	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR2380	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR2380	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR2380	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2380	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR2380	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR2380	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR2380	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR2380	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR2380	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR2380	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2380	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2380	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2380	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2380	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2380	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2380	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR2380	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR2380	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR2380	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2380	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2380	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR2380	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2380	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR2380	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR2380	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2380	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR2380	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2380	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2380	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2381	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2393	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2393	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2393	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2393	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR2393	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR2393	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2393	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR2394	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2398	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR2398	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR2398	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR2398	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR2398	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR2398	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR2398	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2398	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR2398	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR2398	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR2398	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR2398	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2398	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2398	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR2398	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR2398	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR2398	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR2398	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2398	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR2398	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR2398	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR2398	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR2403	Nn1cnnc1	C584134
PADEL_KR2412	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2412	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2412	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2412	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2413	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2413	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR2413	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2413	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2413	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2413	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2413	O=CN1CCCCC1	C2591868
PADEL_KR2414	O=NN1CCCC1	C930552
PADEL_KR2414	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2414	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR2415	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR2415	O=C1N(CCC1)C	C872504
PADEL_KR2415	O=C1N(C=C)CCC1	C88120
PADEL_KR2415	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR2419	OCCN1CCNCC1	C103764
PADEL_KR2419	NCCN1CCNCC1	C140318
PADEL_KR2419	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2428	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR2428	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2428	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2428	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2428	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2428	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2428	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2428	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2428	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2428	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR2428	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2428	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2433	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2433	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2433	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2434	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2435	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2438	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2438	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2443	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2444	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2444	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2448	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR2448	CN1CCOCC1	C109024
PADEL_KR2448	NCCCN1CCOCC1	C123002
PADEL_KR2448	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR2448	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2448	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2448	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR2448	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2462	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2465	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR2465	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR2469	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR2486	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR2486	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR2486	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR2486	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR2486	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2486	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2486	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2491	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR2498	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_KR2498	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR2498	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR2501	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR2505	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR2507	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR2508	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2517	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2533	OCn1nc(C)cc1C	C85264331
PADEL_KR2537	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR2537	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR2547	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR2547	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR2547	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2547	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR2547	CC(=O)OCc1ccccc1	C140114
PADEL_KR2547	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2547	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR2547	ClCOC	C107302
PADEL_KR2547	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2547	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2547	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2547	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2547	C=CCc1ccc(cc1)OC	C140670
PADEL_KR2547	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR2547	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR2547	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2547	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR2547	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR2547	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR2547	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR2547	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2547	COc1ccc(cc1)O	C150765
PADEL_KR2547	NC(=O)OC	C598550
PADEL_KR2547	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR2547	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR2547	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2547	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2547	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR2547	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR2547	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR2547	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR2547	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR2547	O=P(OC)(OC)OC	C512561
PADEL_KR2547	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR2547	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR2547	OCCOCCOCCOCCCC	C143226
PADEL_KR2547	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR2547	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR2547	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR2547	c1ccccc1Oc1ccccc1	C101848
PADEL_KR2547	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR2547	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR2547	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR2547	CCCCCC(=O)OCC	C123660
PADEL_KR2547	COc1ccc(OC)cc1	C150787
PADEL_KR2547	O=C(OC(C)(C)C)C	C540885
PADEL_KR2547	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR2547	C=CC(=O)OCCO	C818611
PADEL_KR2547	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR2547	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR2547	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2547	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR2547	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR2547	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2547	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR2547	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR2547	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR2547	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR2547	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR2547	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2547	c1cccc(OC)c1O	C90051
PADEL_KR2547	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR2547	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR2547	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR2547	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR2547	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2547	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2547	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2547	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2547	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2547	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR2547	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2547	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR2547	CC(O)COC	C107982
PADEL_KR2547	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR2547	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2547	O=C(OCCCC)C=C	C141322
PADEL_KR2547	C(OCCCC)C1CO1	C2426086
PADEL_KR2547	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR2547	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR2547	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2547	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR2547	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR2547	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR2547	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR2547	O(C(C)C)C(=O)C	C108214
PADEL_KR2547	C1COCCN1	C110918
PADEL_KR2547	O(c1ccc(N)cc1)CC	C156434
PADEL_KR2547	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR2547	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR2547	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR2547	O=P(OCC)(OCC)OCC	C78400
PADEL_KR2547	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR2547	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR2547	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR2547	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR2547	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR2547	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR2547	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR2547	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR2547	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR2547	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR2547	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR2547	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_KR2547	O=C1OCC(C)O1	C108327
PADEL_KR2547	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR2547	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR2547	O=C(OC)CCCCCCCCC	C110429
PADEL_KR2547	O=C(C)OCCOC(=O)C	C111557
PADEL_KR2547	O=C(C)OCCOCCCC	C112072
PADEL_KR2547	OCCOCCOCCOC	C112356
PADEL_KR2547	OCCOCCOCCOCCO	C112607
PADEL_KR2547	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR2547	O=Cc1ccc(OC)cc1	C123115
PADEL_KR2547	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2547	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR2547	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR2547	O=COC(C)C	C625558
PADEL_KR2547	OC(C)COc1ccccc1	C770354
PADEL_KR2547	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR2547	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR2547	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR2547	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR2547	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR2547	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR2547	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR2547	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR2547	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR2547	OCCOCCC	C2807309
PADEL_KR2547	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR2547	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR2547	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR2547	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR2547	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2547	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR2547	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR2547	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR2547	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2547	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR2547	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR2547	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR2547	OCC1OCCC1	C97994
PADEL_KR2547	CN1CCOCC1	C109024
PADEL_KR2547	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR2547	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2547	OC(C)COCCC	C1569013
PADEL_KR2547	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR2547	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR2547	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR2547	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2547	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR2547	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR2547	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2547	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR2547	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR2547	OC(OCCCC)CC	C29387868
PADEL_KR2547	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR2547	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR2547	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2547	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR2547	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2547	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR2547	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR2547	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2547	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR2547	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR2547	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2547	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2547	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR2547	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2547	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2547	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR2547	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR2547	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2547	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2547	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2547	O=C1OC(CCCCC)CC1	C104610
PADEL_KR2547	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2547	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR2547	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR2547	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR2547	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR2547	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR2547	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR2547	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR2547	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2547	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR2547	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR2547	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2547	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2547	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR2547	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR2547	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR2547	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2547	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR2547	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR2547	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR2547	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2547	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR2547	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2547	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2547	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2547	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR2547	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR2547	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR2547	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR2547	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_KR2547	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_KR2547	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_KR2547	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR2547	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR2547	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR2547	O=C(CC)OCC	C105373
PADEL_KR2547	O=C1OCC(CC)O1	C4437858
PADEL_KR2547	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR2547	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2547	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR2547	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR2547	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2547	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR2547	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR2547	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_KR2547	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR2547	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR2547	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR2547	CC(O)COCC	C1569024
PADEL_KR2547	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR2547	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR2547	O=C1CCC(O1)CC	C695067
PADEL_KR2547	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR2547	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2547	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2547	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR2547	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR2547	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR2547	O1C=CCCC1	C110872
PADEL_KR2547	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR2547	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR2547	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR2547	NCCCN1CCOCC1	C123002
PADEL_KR2547	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR2547	O=C(CCC)OCCCCC	C540181
PADEL_KR2547	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2547	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR2547	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR2547	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2547	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR2547	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2547	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2547	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2547	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2547	OP(OCC)OCC	C762049
PADEL_KR2547	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR2547	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_KR2547	OCCOCC(CC)CCCC	C1559359
PADEL_KR2547	CCOC(OCC)OCC	C122510
PADEL_KR2547	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR2547	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR2547	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR2547	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR2547	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR2547	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR2547	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR2547	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR2547	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR2547	OC(C)C(=O)OCCCC	C138227
PADEL_KR2547	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR2547	Oc1c(OCC)cccc1	C94713
PADEL_KR2547	COc1ccc(CCC)cc1	C104450
PADEL_KR2547	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR2547	CO[Si](C)(C)OC	C1112396
PADEL_KR2547	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR2547	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2547	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR2547	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2547	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR2547	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR2547	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR2547	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR2547	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR2547	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR2547	O=C(C)OCCCCCCCC	C112141
PADEL_KR2547	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR2547	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR2547	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2547	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR2547	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR2547	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR2547	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR2547	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR2547	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR2547	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR2547	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR2547	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR2547	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR2547	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR2547	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR2547	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2547	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2547	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR2547	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR2547	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR2547	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR2547	OCCOCC(C)OCCO	C9003116
PADEL_KR2547	O=C1OC(CCC)CC1	C105215
PADEL_KR2547	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR2547	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR2547	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR2547	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR2547	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR2547	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2547	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR2547	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR2547	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR2547	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR2547	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR2547	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR2547	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR2547	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR2547	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR2547	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR2547	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2547	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR2547	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR2547	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR2547	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR2547	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR2547	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2547	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2547	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2547	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR2547	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2547	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR2547	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR2547	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR2547	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2547	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2547	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR2547	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2547	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2547	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2547	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR2547	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2547	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR2547	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2547	c1ccccc1OCCO	C122996
PADEL_KR2547	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR2547	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR2547	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR2547	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR2547	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2547	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR2547	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2547	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR2547	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR2547	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR2547	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2547	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2547	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2547	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2547	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR2547	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2547	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR2547	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2547	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2547	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR2547	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2547	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2547	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR2547	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR2547	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2547	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR2547	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2547	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2547	NP(=O)(OC)SC	C10265926
PADEL_KR2547	OCCOC	C109864
PADEL_KR2547	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2547	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2547	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2547	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR2547	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2547	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR2547	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR2547	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2547	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2547	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR2547	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2547	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR2547	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR2547	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR2547	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR2547	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR2547	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2547	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR2547	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR2547	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2547	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR2547	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR2547	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2547	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2547	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2547	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2547	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR2547	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2547	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2547	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2547	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR2547	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR2547	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2547	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR2547	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR2547	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR2547	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2547	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2547	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR2547	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR2547	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR2547	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR2547	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2547	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2547	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2547	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2547	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2547	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR2547	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2547	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2547	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR2547	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2547	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR2547	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR2547	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR2547	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2547	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2547	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR2547	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2547	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR2547	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2547	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2547	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR2547	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2547	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2547	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR2547	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2547	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2547	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR2547	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR2547	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2547	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2547	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2547	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2547	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2547	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR2547	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2547	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2547	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2547	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2547	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2547	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR2547	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2547	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR2547	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2547	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2547	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2547	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR2547	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2547	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2547	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2547	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2547	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2547	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR2547	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR2547	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2547	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2547	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR2547	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR2547	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR2547	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2547	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR2547	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR2547	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR2547	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR2547	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR2547	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR2547	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2547	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR2547	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2547	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2547	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR2547	ClCCOCCCl	C111444
PADEL_KR2547	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR2547	O=C1CCCO1	C96480
PADEL_KR2547	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR2547	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2547	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2547	Nc1cc(ccc1OC)C	C120718
PADEL_KR2547	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR2547	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR2547	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR2547	OCCOCCO	C111466
PADEL_KR2547	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR2547	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR2547	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR2547	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2547	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR2547	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2547	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR2547	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR2547	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR2547	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR2547	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR2547	OCC1CO1	C556525
PADEL_KR2547	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR2547	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2547	CS(=O)(=O)OC	C66273
PADEL_KR2547	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2547	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR2547	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2547	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR2547	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR2547	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR2547	O=S1(=O)CCCO1	C1120714
PADEL_KR2547	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR2547	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2547	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2547	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR2547	C1C(c2ccccc2)O1	C96093
PADEL_KR2547	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR2547	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2547	OCCOCCOCCO	C112276
PADEL_KR2547	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR2547	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR2547	NC(=O)OCC	C51796
PADEL_KR2547	CCCCOCCOCCO	C112345
PADEL_KR2547	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR2547	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR2547	CC(=O)OCCOCC	C111159
PADEL_KR2547	CCOCCOCCO	C111900
PADEL_KR2547	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_KR2547	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR2547	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR2547	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR2547	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2547	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR2547	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR2547	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR2547	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR2547	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2547	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2547	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR2547	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2547	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2547	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2547	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2547	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2547	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR2547	Nc1c(OC)cccc1	C90040
PADEL_KR2547	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR2547	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2547	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR2547	O=S(=O)(OCC)OCC	C64675
PADEL_KR2547	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR2547	O=S(=O)(OC)OC	C77781
PADEL_KR2547	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR2547	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR2547	CCOCCO	C110805
PADEL_KR2547	CCCCOCCO	C111762
PADEL_KR2547	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2547	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR2547	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2547	OCCOCCOCCOCC	C112505
PADEL_KR2547	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2547	O(CCOC)CCOC	C111966
PADEL_KR2547	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR2547	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR2547	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR2547	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR2547	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR2547	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR2547	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR2547	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR2547	O(CCOC)CCO	C111773
PADEL_KR2547	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR2547	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR2547	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR2547	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR2547	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR2547	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR2547	C(CC(C)C)OC(=O)C	C123922
PADEL_KR2547	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR2547	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR2547	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR2547	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR2547	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR2547	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2547	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR2547	C(OCCOC)COCCOC	C112492
PADEL_KR2547	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_KR2547	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR2547	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR2547	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR2547	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR2547	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR2547	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR2547	O=C(OC)CCCCCCC	C111115
PADEL_KR2547	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR2547	OCCOCCCCCC	C112254
PADEL_KR2547	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR2547	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_KR2547	O=C(C)OCCCCC	C628637
PADEL_KR2547	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2547	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR2547	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR2547	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR2547	OC(OC(O)CC)CC	C25265718
PADEL_KR2547	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR2547	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR2547	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR2547	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR2547	OC(OCCCOC)CC	C34590948
PADEL_KR2547	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR2547	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR2547	O=C(OC)CC(=O)OC	C108598
PADEL_KR2547	CCC12N(COC1)COC2	C7747355
PADEL_KR2547	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR2547	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2547	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2547	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR2547	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR2547	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR2547	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR2547	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR2547	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR2547	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR2547	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR2547	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR2547	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR2547	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR2547	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR2547	O=C(CCC)OCC	C105544
PADEL_KR2547	O=C(OCC)CCCCCC	C106309
PADEL_KR2547	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR2547	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR2547	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR2547	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR2547	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR2547	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR2547	O=C(CCC)OCCC(C)C	C106274
PADEL_KR2547	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR2547	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR2547	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2547	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR2547	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR2547	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR2547	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR2547	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR2547	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2547	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR2547	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR2547	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR2547	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2547	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR2547	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2547	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2547	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2547	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR2547	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2547	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2547	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR2547	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2547	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR2547	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR2547	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2547	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2547	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2547	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2547	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR2547	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2547	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2547	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2547	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2547	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2547	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2547	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR2547	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR2547	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR2547	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR2547	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2547	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2547	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2547	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2547	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2547	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR2547	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR2547	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR2547	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR2547	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR2547	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR2547	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2547	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2547	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2547	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2547	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR2547	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2547	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2547	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2547	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2547	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2547	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2547	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2547	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2547	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2547	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2547	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2547	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2547	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2547	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2547	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2547	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2547	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR2547	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR2547	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR2547	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2547	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR2547	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR2547	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR2547	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR2547	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR2547	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR2547	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR2547	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR2547	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR2547	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR2547	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2547	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR2547	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2547	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2547	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR2547	NCCOCCOCCN	C929599
PADEL_KR2547	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2547	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR2547	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2547	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR2547	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2547	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2547	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR2547	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR2547	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2547	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2547	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2547	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2547	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2547	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2547	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2547	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2547	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2547	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2547	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2547	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2547	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2547	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2547	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR2547	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2547	OCCC(OC)C	C2517433
PADEL_KR2547	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR2547	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2547	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR2547	O=COCC	C109944
PADEL_KR2547	O=C(OCC)c1ccccc1	C93890
PADEL_KR2547	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2547	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_KR2547	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2547	CC(=O)OCC	C141786
PADEL_KR2547	CC(=O)OCCCC	C123864
PADEL_KR2547	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2547	CCC1CO1	C106887
PADEL_KR2547	CC1CC(=O)O1	C3068880
PADEL_KR2547	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR2547	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2547	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR2547	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR2547	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2547	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2547	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2547	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR2547	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR2547	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR2547	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR2547	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2547	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR2547	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2547	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR2547	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2547	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2547	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2547	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2547	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR2547	Nc1ccc(OC)cc1	C104949
PADEL_KR2547	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR2547	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR2547	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR2547	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR2547	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2547	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR2547	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_KR2547	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR2547	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR2547	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR2547	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR2547	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2547	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR2547	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR2547	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR2547	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR2547	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2547	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR2547	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2547	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR2547	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2547	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2547	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2547	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2547	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR2547	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR2547	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2547	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2547	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2547	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2547	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2547	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR2547	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2547	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2547	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2547	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR2547	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2547	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2547	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR2547	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR2547	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2547	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR2547	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2547	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2547	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2547	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR2547	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR2547	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2547	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR2547	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR2547	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2547	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2547	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2547	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2547	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR2547	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR2547	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR2547	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR2547	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR2547	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR2547	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR2547	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR2547	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2547	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR2547	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR2547	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2547	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR2547	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR2547	O=C(OCCCCO)C=C	C2478106
PADEL_KR2547	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2547	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR2547	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR2547	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR2547	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2547	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2547	NCCCOCCCCCCCC	C15930662
PADEL_KR2547	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2547	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR2547	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR2547	CC1COc2ccccc2N1	C32329207
PADEL_KR2547	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR2547	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR2547	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR2547	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2547	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR2547	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR2547	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR2547	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR2547	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR2547	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2547	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR2547	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2547	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR2547	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR2547	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2547	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR2547	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2547	O=COCc1ccc(OC)cc1	C122918
PADEL_KR2548	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2548	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2548	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2548	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR2548	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2548	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR2548	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR2548	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR2548	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR2548	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2548	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2548	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR2548	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2548	O(C(C)C)C(=O)C	C108214
PADEL_KR2548	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR2548	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR2548	O=C1OCC(C)O1	C108327
PADEL_KR2548	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR2548	O=COC(C)C	C625558
PADEL_KR2548	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2548	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR2548	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR2548	OCC1OCCC1	C97994
PADEL_KR2548	OC(OCCCC)CC	C29387868
PADEL_KR2548	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2548	O=C1OC(CCCCC)CC1	C104610
PADEL_KR2548	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2548	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR2548	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR2548	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2548	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR2548	O=C1OCC(CC)O1	C4437858
PADEL_KR2548	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2548	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR2548	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR2548	O=C1CCC(O1)CC	C695067
PADEL_KR2548	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2548	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR2548	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2548	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR2548	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR2548	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2548	CCOC(OCC)OCC	C122510
PADEL_KR2548	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR2548	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR2548	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR2548	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR2548	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR2548	OCCOCC(C)OCCO	C9003116
PADEL_KR2548	O=C1OC(CCC)CC1	C105215
PADEL_KR2548	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR2548	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2548	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR2548	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2548	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2548	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2548	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2548	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2548	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2548	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2548	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR2548	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2548	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2548	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2548	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2548	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR2548	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2548	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR2548	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2548	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR2548	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2548	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2548	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2548	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2548	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR2548	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2548	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2548	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR2548	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2548	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2548	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2548	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR2548	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2548	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2548	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2548	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR2548	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2548	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2548	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2548	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2548	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2548	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2548	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2548	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2548	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR2548	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2548	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR2548	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2548	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR2548	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR2548	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2548	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2548	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2548	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2548	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2548	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR2548	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2548	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2548	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR2548	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2548	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2548	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR2548	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR2548	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR2548	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR2548	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2548	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR2548	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR2548	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2548	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR2548	OC(OC(O)CC)CC	C25265718
PADEL_KR2548	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR2548	OC(OCCCOC)CC	C34590948
PADEL_KR2548	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR2548	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2548	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2548	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR2548	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR2548	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR2548	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2548	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR2548	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR2548	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR2548	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2548	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2548	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2548	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2548	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR2548	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2548	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2548	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR2548	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2548	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR2548	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2548	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2548	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2548	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2548	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2548	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2548	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2548	OCCC(OC)C	C2517433
PADEL_KR2548	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR2548	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2548	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2548	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2548	CC1CC(=O)O1	C3068880
PADEL_KR2548	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR2548	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR2548	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2548	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR2548	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR2548	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2548	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2548	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2548	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR2548	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2548	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR2548	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2548	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2548	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2548	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR2548	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR2548	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR2550	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR2550	O(C(C)C)C(=O)C	C108214
PADEL_KR2550	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR2550	O=COC(C)C	C625558
PADEL_KR2550	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR2550	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR2550	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR2550	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2550	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR2550	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR2550	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2550	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2550	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR2550	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2550	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR2550	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2550	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR2550	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2550	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2550	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2550	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2550	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2550	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2557	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2557	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2557	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2557	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2557	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2561	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2561	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2561	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2562	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2564	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR2564	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR2564	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2564	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR2564	CC(O)COC	C107982
PADEL_KR2564	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2564	C(OCCCC)C1CO1	C2426086
PADEL_KR2564	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR2564	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR2564	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR2564	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR2564	O=C1OCC(C)O1	C108327
PADEL_KR2564	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR2564	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR2564	OC(C)COc1ccccc1	C770354
PADEL_KR2564	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR2564	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR2564	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR2564	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2564	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR2564	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2564	OC(C)COCCC	C1569013
PADEL_KR2564	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR2564	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2564	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2564	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2564	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR2564	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR2564	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2564	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2564	O=C1OCC(CC)O1	C4437858
PADEL_KR2564	CC(O)COCC	C1569024
PADEL_KR2564	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR2564	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR2564	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2564	OCCOCC(CC)CCCC	C1559359
PADEL_KR2564	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR2564	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR2564	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR2564	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR2564	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR2564	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2564	OCCOCC(C)OCCO	C9003116
PADEL_KR2564	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR2564	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2564	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR2564	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2564	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2564	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR2564	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR2564	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2564	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2564	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2564	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR2564	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR2564	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2564	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2564	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR2564	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR2564	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR2564	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2564	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2564	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR2564	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR2564	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR2564	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2564	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR2564	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR2564	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR2564	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2564	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR2564	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2564	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2564	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2564	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2564	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR2564	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2564	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2564	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR2564	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2564	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2564	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR2564	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR2564	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR2564	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR2564	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2564	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2564	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR2564	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2564	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2564	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2564	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2564	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR2564	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2564	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2564	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR2564	CC1COc2ccccc2N1	C32329207
PADEL_KR2564	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR2564	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2565	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2565	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR2565	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR2565	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2566	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2568	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2576	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR2576	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR2576	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2576	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2576	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR2578	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR2578	C(CC(C)C)OC(=O)C	C123922
PADEL_KR2578	O=C(CCC)OCCC(C)C	C106274
PADEL_KR2579	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR2579	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR2579	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR2580	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR2580	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR2580	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR2580	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR2580	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR2580	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR2580	OCCOCCCCCC	C112254
PADEL_KR2580	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR2580	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR2581	O=C(CCC)OCCCCC	C540181
PADEL_KR2581	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2581	O=C(C)OCCCCC	C628637
PADEL_KR2581	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR2582	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR2582	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2582	OCCOCCOCCOCCCC	C143226
PADEL_KR2582	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR2582	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR2582	O=C(OCCCC)C=C	C141322
PADEL_KR2582	C(OCCCC)C1CO1	C2426086
PADEL_KR2582	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR2582	O=C(C)OCCOCCCC	C112072
PADEL_KR2582	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR2582	OC(OCCCC)CC	C29387868
PADEL_KR2582	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2582	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2582	OC(C)C(=O)OCCCC	C138227
PADEL_KR2582	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR2582	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR2582	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR2582	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR2582	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR2582	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR2582	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2582	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2582	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2582	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR2582	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR2582	CCCCOCCOCCO	C112345
PADEL_KR2582	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR2582	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR2582	CCCCOCCO	C111762
PADEL_KR2582	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR2582	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR2582	CC(=O)OCCCC	C123864
PADEL_KR2582	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR2583	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR2583	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2584	OCCOCCC	C2807309
PADEL_KR2584	OC(C)COCCC	C1569013
PADEL_KR2584	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR2584	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR2584	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR2584	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2584	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2584	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR2584	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR2584	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2584	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2585	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2586	NCCOCCOCCN	C929599
PADEL_KR2587	OCCOCCOCCOCCCC	C143226
PADEL_KR2587	C=CC(=O)OCCO	C818611
PADEL_KR2587	OCCOCCOCCOC	C112356
PADEL_KR2587	OCCOCCOCCOCCO	C112607
PADEL_KR2587	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR2587	OCCOCCC	C2807309
PADEL_KR2587	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR2587	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR2587	OCCOCC(CC)CCCC	C1559359
PADEL_KR2587	OCCOCC(C)OCCO	C9003116
PADEL_KR2587	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR2587	c1ccccc1OCCO	C122996
PADEL_KR2587	OCCOC	C109864
PADEL_KR2587	OCCOCCO	C111466
PADEL_KR2587	OCCOCCOCCO	C112276
PADEL_KR2587	CCCCOCCOCCO	C112345
PADEL_KR2587	CCOCCOCCO	C111900
PADEL_KR2587	CCOCCO	C110805
PADEL_KR2587	CCCCOCCO	C111762
PADEL_KR2587	OCCOCCOCCOCC	C112505
PADEL_KR2587	O(CCOC)CCO	C111773
PADEL_KR2587	OCCOCCCCCC	C112254
PADEL_KR2587	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2587	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2587	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2588	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR2588	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR2589	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR2589	ClCCOCCCl	C111444
PADEL_KR2589	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR2589	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2591	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2591	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR2591	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR2592	OCCOCCOCCOCCCC	C143226
PADEL_KR2592	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR2592	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR2592	O=C(C)OCCOC(=O)C	C111557
PADEL_KR2592	O=C(C)OCCOCCCC	C112072
PADEL_KR2592	OCCOCCOCCOC	C112356
PADEL_KR2592	OCCOCCOCCOCCO	C112607
PADEL_KR2592	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR2592	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR2592	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR2592	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR2592	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2592	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2592	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2592	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR2592	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR2592	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2592	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR2592	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR2592	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2592	OCCOCCOCCO	C112276
PADEL_KR2592	CCCCOCCOCCO	C112345
PADEL_KR2592	CC(=O)OCCOCC	C111159
PADEL_KR2592	CCOCCOCCO	C111900
PADEL_KR2592	OCCOCCOCCOCC	C112505
PADEL_KR2592	O(CCOC)CCOC	C111966
PADEL_KR2592	O(CCOC)CCO	C111773
PADEL_KR2592	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR2592	C(OCCOC)COCCOC	C112492
PADEL_KR2592	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR2592	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR2592	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2592	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2592	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2592	NCCOCCOCCN	C929599
PADEL_KR2592	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2592	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR2592	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR2593	O=C(C)OCCOC(=O)C	C111557
PADEL_KR2593	O=C(C)OCCOCCCC	C112072
PADEL_KR2593	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR2593	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2593	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2593	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2593	CC(=O)OCCOCC	C111159
PADEL_KR2593	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR2593	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR2593	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR2593	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2593	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR2593	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR2595	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR2595	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR2595	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR2595	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR2595	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR2595	CCCCCC(=O)OCC	C123660
PADEL_KR2595	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR2595	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR2595	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2595	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR2595	O(c1ccc(N)cc1)CC	C156434
PADEL_KR2595	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR2595	O=P(OCC)(OCC)OCC	C78400
PADEL_KR2595	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR2595	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR2595	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2595	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR2595	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2595	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR2595	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR2595	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR2595	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR2595	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2595	O=C(CC)OCC	C105373
PADEL_KR2595	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR2595	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR2595	CC(O)COCC	C1569024
PADEL_KR2595	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2595	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR2595	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2595	OP(OCC)OCC	C762049
PADEL_KR2595	CCOC(OCC)OCC	C122510
PADEL_KR2595	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR2595	Oc1c(OCC)cccc1	C94713
PADEL_KR2595	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR2595	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR2595	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR2595	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR2595	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR2595	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR2595	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR2595	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2595	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2595	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2595	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR2595	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR2595	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2595	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR2595	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2595	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2595	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR2595	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2595	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR2595	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2595	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2595	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2595	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR2595	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR2595	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR2595	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR2595	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2595	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2595	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR2595	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2595	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR2595	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2595	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2595	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR2595	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR2595	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR2595	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2595	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2595	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR2595	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR2595	NC(=O)OCC	C51796
PADEL_KR2595	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR2595	CC(=O)OCCOCC	C111159
PADEL_KR2595	CCOCCOCCO	C111900
PADEL_KR2595	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2595	O=S(=O)(OCC)OCC	C64675
PADEL_KR2595	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR2595	CCOCCO	C110805
PADEL_KR2595	OCCOCCOCCOCC	C112505
PADEL_KR2595	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR2595	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR2595	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR2595	O=C(CCC)OCC	C105544
PADEL_KR2595	O=C(OCC)CCCCCC	C106309
PADEL_KR2595	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR2595	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR2595	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR2595	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2595	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2595	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2595	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2595	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2595	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2595	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR2595	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2595	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2595	O=COCC	C109944
PADEL_KR2595	O=C(OCC)c1ccccc1	C93890
PADEL_KR2595	CC(=O)OCC	C141786
PADEL_KR2595	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR2595	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR2595	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2595	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR2595	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR2595	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR2595	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR2595	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2595	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR2595	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2595	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR2595	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2595	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2595	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR2596	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2596	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2598	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2598	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR2598	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR2598	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2598	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2598	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2598	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR2598	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2598	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2598	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2598	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2598	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2598	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2598	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR2598	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2598	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2598	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2598	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2598	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2598	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2598	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2598	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2598	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2598	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2598	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2598	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2598	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2598	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2651	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR2651	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2651	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2651	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2651	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR2651	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2651	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2651	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2651	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2651	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2660	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2660	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2660	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2660	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2660	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2660	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2660	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2660	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2660	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2660	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2665	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2665	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2665	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2666	CC(=O)OCc1ccccc1	C140114
PADEL_KR2666	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR2666	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR2666	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR2666	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR2666	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2666	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR2666	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR2666	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2666	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR2666	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR2667	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR2667	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR2667	ClCOC	C107302
PADEL_KR2667	C=CCc1ccc(cc1)OC	C140670
PADEL_KR2667	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR2667	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2667	COc1ccc(cc1)O	C150765
PADEL_KR2667	NC(=O)OC	C598550
PADEL_KR2667	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR2667	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR2667	O=P(OC)(OC)OC	C512561
PADEL_KR2667	COc1ccc(OC)cc1	C150787
PADEL_KR2667	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR2667	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR2667	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR2667	c1cccc(OC)c1O	C90051
PADEL_KR2667	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2667	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2667	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2667	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR2667	CC(O)COC	C107982
PADEL_KR2667	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR2667	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR2667	O=C(OC)CCCCCCCCC	C110429
PADEL_KR2667	OCCOCCOCCOC	C112356
PADEL_KR2667	O=Cc1ccc(OC)cc1	C123115
PADEL_KR2667	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR2667	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR2667	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR2667	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR2667	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR2667	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2667	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR2667	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR2667	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2667	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR2667	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2667	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR2667	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR2667	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR2667	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR2667	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR2667	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR2667	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR2667	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2667	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR2667	COc1ccc(CCC)cc1	C104450
PADEL_KR2667	CO[Si](C)(C)OC	C1112396
PADEL_KR2667	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2667	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2667	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR2667	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2667	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2667	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR2667	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR2667	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR2667	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR2667	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2667	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR2667	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR2667	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2667	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2667	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR2667	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2667	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2667	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR2667	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR2667	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR2667	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2667	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR2667	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR2667	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2667	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2667	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR2667	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2667	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR2667	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2667	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR2667	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2667	NP(=O)(OC)SC	C10265926
PADEL_KR2667	OCCOC	C109864
PADEL_KR2667	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2667	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR2667	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR2667	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR2667	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR2667	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR2667	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2667	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2667	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR2667	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2667	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2667	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2667	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR2667	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2667	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR2667	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR2667	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2667	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR2667	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2667	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2667	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2667	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2667	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2667	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR2667	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2667	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2667	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR2667	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2667	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2667	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR2667	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2667	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR2667	Nc1cc(ccc1OC)C	C120718
PADEL_KR2667	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR2667	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR2667	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR2667	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR2667	CS(=O)(=O)OC	C66273
PADEL_KR2667	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR2667	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2667	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2667	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR2667	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR2667	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR2667	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2667	Nc1c(OC)cccc1	C90040
PADEL_KR2667	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR2667	O=S(=O)(OC)OC	C77781
PADEL_KR2667	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2667	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2667	O(CCOC)CCOC	C111966
PADEL_KR2667	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR2667	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR2667	O(CCOC)CCO	C111773
PADEL_KR2667	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR2667	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR2667	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR2667	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR2667	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR2667	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR2667	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR2667	C(OCCOC)COCCOC	C112492
PADEL_KR2667	O=C(OC)CCCCCCC	C111115
PADEL_KR2667	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR2667	OC(OCCCOC)CC	C34590948
PADEL_KR2667	O=C(OC)CC(=O)OC	C108598
PADEL_KR2667	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR2667	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR2667	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR2667	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR2667	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2667	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2667	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR2667	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2667	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR2667	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2667	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2667	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR2667	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2667	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2667	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2667	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2667	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2667	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2667	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2667	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2667	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR2667	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR2667	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2667	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2667	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2667	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2667	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2667	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2667	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2667	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2667	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2667	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2667	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2667	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2667	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2667	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2667	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2667	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2667	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2667	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR2667	OCCC(OC)C	C2517433
PADEL_KR2667	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2667	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR2667	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2667	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR2667	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR2667	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2667	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2667	Nc1ccc(OC)cc1	C104949
PADEL_KR2667	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR2667	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR2667	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2667	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2667	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2667	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR2667	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2667	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR2667	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2667	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2667	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2667	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR2667	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2667	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR2667	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR2667	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR2667	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2667	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR2667	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2667	O=COCc1ccc(OC)cc1	C122918
PADEL_KR2668	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2668	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2668	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2668	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR2668	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR2668	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2668	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2668	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2668	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2668	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2668	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2668	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2668	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2668	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR2668	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR2668	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR2668	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR2668	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2672	O=C(OC(C)(C)C)C	C540885
PADEL_KR2672	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR2672	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR2672	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR2672	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR2672	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR2672	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR2673	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR2673	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2673	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR2673	CC(=O)OCc1ccccc1	C140114
PADEL_KR2673	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR2673	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2673	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2673	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2673	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR2673	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2673	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR2673	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR2673	NC(=O)OC	C598550
PADEL_KR2673	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR2673	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2673	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR2673	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR2673	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR2673	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR2673	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR2673	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR2673	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR2673	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR2673	CCCCCC(=O)OCC	C123660
PADEL_KR2673	O=C(OC(C)(C)C)C	C540885
PADEL_KR2673	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR2673	C=CC(=O)OCCO	C818611
PADEL_KR2673	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2673	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR2673	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR2673	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR2673	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR2673	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2673	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2673	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2673	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR2673	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR2673	O=C(OCCCC)C=C	C141322
PADEL_KR2673	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR2673	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR2673	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR2673	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR2673	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR2673	O(C(C)C)C(=O)C	C108214
PADEL_KR2673	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR2673	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR2673	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR2673	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR2673	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR2673	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR2673	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR2673	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR2673	O=C1OCC(C)O1	C108327
PADEL_KR2673	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR2673	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR2673	O=C(OC)CCCCCCCCC	C110429
PADEL_KR2673	O=C(C)OCCOC(=O)C	C111557
PADEL_KR2673	O=C(C)OCCOCCCC	C112072
PADEL_KR2673	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR2673	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR2673	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR2673	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR2673	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR2673	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR2673	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR2673	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR2673	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2673	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR2673	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2673	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR2673	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR2673	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2673	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR2673	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2673	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR2673	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR2673	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR2673	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR2673	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2673	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR2673	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR2673	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR2673	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2673	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2673	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR2673	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR2673	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR2673	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2673	O=C1OC(CCCCC)CC1	C104610
PADEL_KR2673	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR2673	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR2673	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR2673	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2673	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR2673	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR2673	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR2673	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2673	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR2673	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR2673	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR2673	O=C(CC)OCC	C105373
PADEL_KR2673	O=C1OCC(CC)O1	C4437858
PADEL_KR2673	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR2673	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2673	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR2673	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2673	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR2673	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR2673	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR2673	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR2673	O=C1CCC(O1)CC	C695067
PADEL_KR2673	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR2673	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2673	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2673	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR2673	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR2673	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR2673	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR2673	O=C(CCC)OCCCCC	C540181
PADEL_KR2673	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2673	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR2673	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR2673	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2673	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR2673	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2673	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR2673	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR2673	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR2673	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR2673	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR2673	OC(C)C(=O)OCCCC	C138227
PADEL_KR2673	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR2673	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR2673	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR2673	O=C(C)OCCCCCCCC	C112141
PADEL_KR2673	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR2673	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR2673	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR2673	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR2673	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR2673	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR2673	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR2673	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR2673	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR2673	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR2673	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2673	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR2673	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR2673	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR2673	O=C1OC(CCC)CC1	C105215
PADEL_KR2673	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR2673	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR2673	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR2673	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR2673	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2673	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR2673	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR2673	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR2673	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR2673	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR2673	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR2673	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR2673	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR2673	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR2673	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2673	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2673	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2673	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2673	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR2673	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR2673	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2673	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR2673	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2673	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2673	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2673	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR2673	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2673	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2673	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2673	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2673	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR2673	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR2673	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR2673	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR2673	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2673	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2673	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2673	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2673	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2673	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR2673	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2673	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2673	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR2673	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR2673	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR2673	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2673	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2673	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2673	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR2673	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2673	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2673	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR2673	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2673	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2673	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR2673	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2673	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2673	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2673	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2673	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2673	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2673	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2673	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2673	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2673	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2673	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2673	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2673	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2673	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2673	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2673	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2673	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2673	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR2673	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR2673	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2673	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR2673	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR2673	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR2673	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR2673	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2673	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2673	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR2673	O=C1CCCO1	C96480
PADEL_KR2673	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR2673	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2673	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2673	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR2673	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR2673	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR2673	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2673	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR2673	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR2673	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2673	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR2673	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR2673	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR2673	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2673	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2673	NC(=O)OCC	C51796
PADEL_KR2673	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR2673	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR2673	CC(=O)OCCOCC	C111159
PADEL_KR2673	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR2673	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR2673	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR2673	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR2673	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2673	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2673	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2673	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2673	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR2673	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR2673	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR2673	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR2673	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR2673	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR2673	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR2673	C(CC(C)C)OC(=O)C	C123922
PADEL_KR2673	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR2673	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR2673	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR2673	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2673	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR2673	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR2673	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR2673	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR2673	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR2673	O=C(OC)CCCCCCC	C111115
PADEL_KR2673	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR2673	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR2673	O=C(C)OCCCCC	C628637
PADEL_KR2673	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2673	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR2673	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR2673	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR2673	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR2673	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR2673	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR2673	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR2673	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR2673	O=C(OC)CC(=O)OC	C108598
PADEL_KR2673	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2673	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR2673	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR2673	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR2673	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR2673	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR2673	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR2673	O=C(CCC)OCC	C105544
PADEL_KR2673	O=C(OCC)CCCCCC	C106309
PADEL_KR2673	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR2673	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR2673	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR2673	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR2673	O=C(CCC)OCCC(C)C	C106274
PADEL_KR2673	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2673	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR2673	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR2673	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2673	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2673	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2673	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2673	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2673	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2673	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2673	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR2673	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR2673	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR2673	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2673	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR2673	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR2673	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR2673	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR2673	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR2673	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR2673	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR2673	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR2673	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR2673	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR2673	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR2673	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2673	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2673	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR2673	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2673	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2673	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2673	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2673	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2673	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2673	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2673	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2673	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR2673	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2673	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR2673	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2673	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR2673	O=C(OCC)c1ccccc1	C93890
PADEL_KR2673	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2673	CC(=O)OCC	C141786
PADEL_KR2673	CC(=O)OCCCC	C123864
PADEL_KR2673	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2673	CC1CC(=O)O1	C3068880
PADEL_KR2673	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR2673	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR2673	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR2673	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2673	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2673	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2673	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR2673	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR2673	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR2673	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR2673	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR2673	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR2673	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR2673	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2673	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR2673	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR2673	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR2673	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2673	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR2673	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2673	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2673	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2673	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2673	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2673	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR2673	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR2673	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR2673	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2673	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2673	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2673	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR2673	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2673	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2673	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR2673	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR2673	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR2673	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR2673	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2673	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR2673	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR2673	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2673	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR2673	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR2673	O=C(OCCCCO)C=C	C2478106
PADEL_KR2673	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2673	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR2673	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2673	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2673	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2673	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR2673	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR2673	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2673	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR2673	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR2673	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR2673	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR2673	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR2673	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR2675	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR2675	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2675	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR2675	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2675	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2675	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR2676	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2677	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR2678	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR2678	O=C(CCC)OCCCCC	C540181
PADEL_KR2678	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR2678	O=C(CCC)OCC	C105544
PADEL_KR2678	O=C(CCC)OCCC(C)C	C106274
PADEL_KR2678	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR2679	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR2680	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2680	O=C(CC)OCC	C105373
PADEL_KR2680	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR2680	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR2680	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR2680	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR2681	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR2682	CC(=O)OCc1ccccc1	C140114
PADEL_KR2682	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2682	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2682	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR2682	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR2682	O=C(OC(C)(C)C)C	C540885
PADEL_KR2682	O(C(C)C)C(=O)C	C108214
PADEL_KR2682	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR2682	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR2682	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR2682	O=C(C)OCCOC(=O)C	C111557
PADEL_KR2682	O=C(C)OCCOCCCC	C112072
PADEL_KR2682	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR2682	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR2682	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR2682	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2682	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR2682	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR2682	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR2682	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR2682	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR2682	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR2682	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR2682	O=C(C)OCCCCCCCC	C112141
PADEL_KR2682	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2682	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2682	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR2682	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR2682	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR2682	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2682	CC(=O)OCCOCC	C111159
PADEL_KR2682	C(CC(C)C)OC(=O)C	C123922
PADEL_KR2682	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR2682	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR2682	O=C(C)OCCCCC	C628637
PADEL_KR2682	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2682	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR2682	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR2682	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2682	CC(=O)OCC	C141786
PADEL_KR2682	CC(=O)OCCCC	C123864
PADEL_KR2682	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR2682	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR2682	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR2682	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2682	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2682	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR2683	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2683	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR2683	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR2683	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2683	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2683	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR2683	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR2683	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2683	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR2683	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR2683	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR2685	NC(=O)OC	C598550
PADEL_KR2685	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR2685	NC(=O)OCC	C51796
PADEL_KR2685	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2686	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2686	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR2686	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR2686	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR2686	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2692	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2692	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR2694	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2694	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2694	c1ccccc1Oc1ccccc1	C101848
PADEL_KR2694	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR2694	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR2694	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR2694	OC(C)COc1ccccc1	C770354
PADEL_KR2694	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR2694	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR2694	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR2694	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2694	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR2694	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_KR2694	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR2694	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR2694	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR2694	c1ccccc1OCCO	C122996
PADEL_KR2694	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2694	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2694	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2694	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2694	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR2694	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2694	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2694	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2694	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2694	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_KR2694	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR2694	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_KR2694	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR2694	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR2694	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR2694	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR2694	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR2694	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2694	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR2694	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2694	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR2694	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2695	c1cccc(OC)c1O	C90051
PADEL_KR2695	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2695	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR2695	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR2695	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2695	Oc1c(OCC)cccc1	C94713
PADEL_KR2695	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2695	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2695	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2695	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2695	Nc1c(OC)cccc1	C90040
PADEL_KR2695	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2695	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2695	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2695	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2695	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2695	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2695	CC1COc2ccccc2N1	C32329207
PADEL_KR2697	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2698	c1cccc(OC)c1O	C90051
PADEL_KR2698	Oc1c(OCC)cccc1	C94713
PADEL_KR2699	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR2699	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2702	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2703	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2703	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2703	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR2703	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR2703	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR2703	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2703	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR2703	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR2703	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR2703	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2703	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2703	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2703	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR2703	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2703	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2703	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2703	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR2703	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR2703	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2703	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2703	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2703	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2703	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2703	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2706	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR2708	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR2708	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2710	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2710	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR2710	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2711	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR2711	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2711	C=CCc1ccc(cc1)OC	C140670
PADEL_KR2711	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2711	COc1ccc(cc1)O	C150765
PADEL_KR2711	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2711	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR2711	COc1ccc(OC)cc1	C150787
PADEL_KR2711	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR2711	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR2711	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2711	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2711	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2711	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2711	O(c1ccc(N)cc1)CC	C156434
PADEL_KR2711	O=Cc1ccc(OC)cc1	C123115
PADEL_KR2711	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR2711	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2711	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2711	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2711	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2711	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2711	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR2711	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2711	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR2711	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2711	COc1ccc(CCC)cc1	C104450
PADEL_KR2711	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2711	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2711	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR2711	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR2711	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR2711	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2711	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2711	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2711	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2711	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2711	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2711	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2711	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2711	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2711	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2711	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2711	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2711	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2711	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2711	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2711	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2711	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2711	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR2711	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR2711	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2711	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2711	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR2711	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2711	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2711	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2711	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2711	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR2711	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2711	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2711	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR2711	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR2711	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2711	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2711	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2711	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR2711	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2711	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR2711	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2711	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2711	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2711	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2711	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2711	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2711	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2711	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2711	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2711	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2711	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR2711	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR2711	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR2711	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2711	Nc1ccc(OC)cc1	C104949
PADEL_KR2711	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR2711	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2711	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2711	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2711	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2711	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2711	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2711	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2711	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR2711	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR2711	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR2711	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2711	O=COCc1ccc(OC)cc1	C122918
PADEL_KR2712	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2712	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR2712	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2712	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR2712	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR2712	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2712	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR2712	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2712	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR2712	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2712	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2712	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2712	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2712	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2712	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2712	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2712	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2712	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR2712	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2712	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2712	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2712	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2712	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2712	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2712	Nc1cc(ccc1OC)C	C120718
PADEL_KR2712	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR2712	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2712	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR2712	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2712	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR2712	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR2712	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR2712	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR2712	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2712	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2712	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2712	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2712	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2712	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2712	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2712	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2712	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR2712	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR2712	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2712	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2712	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR2712	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2712	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2712	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2712	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2712	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2712	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2712	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2712	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2712	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2712	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2714	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR2714	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2714	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR2714	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2714	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2714	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2716	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2716	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR2717	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2717	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2717	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2717	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2717	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2717	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2717	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2718	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR2718	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2719	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2719	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2720	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2720	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2721	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2721	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2721	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2721	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2722	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2729	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2729	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2729	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2735	O=Cc1ccc(OC)cc1	C123115
PADEL_KR2737	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2739	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2741	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR2743	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2745	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2746	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR2746	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR2746	O(c1ccc(N)cc1)CC	C156434
PADEL_KR2746	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR2746	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR2746	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR2746	Nc1ccc(OC)cc1	C104949
PADEL_KR2747	COc1ccc(cc1)O	C150765
PADEL_KR2747	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR2747	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR2748	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR2748	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2750	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2750	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2750	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2750	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2750	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2750	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2750	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2750	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2751	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2751	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR2751	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2751	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2751	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2751	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2751	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2751	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR2751	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2751	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2751	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2752	COc1ccc(OC)cc1	C150787
PADEL_KR2752	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2752	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2752	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2752	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2752	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2752	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2752	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2752	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2752	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2752	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2752	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2752	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2752	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2752	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2753	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR2760	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2760	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR2760	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2763	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2766	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2771	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR2771	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR2771	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR2772	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR2772	O=P(OC)(OC)OC	C512561
PADEL_KR2772	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR2772	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR2772	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2772	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR2772	O=P(OCC)(OCC)OCC	C78400
PADEL_KR2772	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR2772	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2772	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2772	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2772	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2772	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2772	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR2772	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR2772	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR2772	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR2772	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR2772	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_KR2772	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR2772	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR2772	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR2772	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2773	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2773	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2773	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR2773	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2773	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR2773	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR2773	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR2773	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR2773	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR2773	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2773	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR2773	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2773	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2773	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR2773	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR2773	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR2773	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2773	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2773	CS(=O)(=O)OC	C66273
PADEL_KR2773	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2773	O=S1(=O)CCCO1	C1120714
PADEL_KR2773	O=S(=O)(OCC)OCC	C64675
PADEL_KR2773	O=S(=O)(OC)OC	C77781
PADEL_KR2773	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR2773	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR2773	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR2773	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR2773	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2773	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2776	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2776	CS(=O)(=O)OC	C66273
PADEL_KR2776	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2777	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2779	O=P(OC)(OC)OC	C512561
PADEL_KR2779	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2779	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2779	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2779	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR2779	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2779	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2779	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2779	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR2779	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2779	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2781	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR2781	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2781	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2781	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR2781	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2781	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR2781	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR2781	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2781	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR2781	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2781	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2781	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR2781	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2781	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR2781	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR2781	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR2781	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2781	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2781	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR2781	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR2781	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR2781	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2781	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR2781	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR2781	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR2781	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2781	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR2781	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR2781	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR2781	O=S(=O)(N)O	C5329146
PADEL_KR2781	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2781	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2781	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2781	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR2781	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR2781	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR2781	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2781	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR2781	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR2781	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2781	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR2781	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR2781	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR2781	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR2781	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR2781	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2781	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2781	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR2781	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR2781	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR2781	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2781	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2781	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR2781	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR2781	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2781	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR2781	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR2781	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2781	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR2781	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR2781	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR2781	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2781	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2781	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR2781	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR2781	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR2781	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR2781	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR2781	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2781	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR2781	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2781	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR2781	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2781	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR2781	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR2781	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2781	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR2781	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2781	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2781	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR2781	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2781	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2781	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR2781	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2781	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2781	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2781	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2781	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2781	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR2781	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2781	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2781	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2781	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR2781	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR2781	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR2781	CS(=O)(=O)OC	C66273
PADEL_KR2781	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2781	O=S1(=O)CCCO1	C1120714
PADEL_KR2781	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR2781	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2781	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR2781	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR2781	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR2781	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR2781	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2781	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2781	O=S(=O)(OCC)OCC	C64675
PADEL_KR2781	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR2781	O=S(=O)(OC)OC	C77781
PADEL_KR2781	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2781	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2781	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR2781	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR2781	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR2781	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR2781	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2781	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR2781	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR2781	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR2781	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR2781	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR2781	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2781	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR2781	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR2781	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2781	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2781	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR2781	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2781	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2781	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2781	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2781	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2781	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2781	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2781	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR2781	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2781	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR2781	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2781	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2781	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2781	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2781	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2781	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2781	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2781	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR2781	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2781	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR2781	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR2781	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2781	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR2781	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR2781	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2781	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR2781	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2781	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2781	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2781	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2781	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2781	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2781	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2781	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2781	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2781	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2781	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2781	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2781	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR2781	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2781	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2781	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2781	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR2781	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR2781	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2781	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR2781	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2781	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2781	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR2781	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2781	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR2781	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2781	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2781	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2781	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2781	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR2781	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR2781	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR2781	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2781	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2784	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2789	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2796	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2796	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2796	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2796	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2796	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2796	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2796	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR2796	CS(=O)(=O)OC	C66273
PADEL_KR2796	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2796	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2796	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2796	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2796	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2796	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2796	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2796	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2796	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2796	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR2796	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR2796	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2796	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2802	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR2802	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR2810	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2812	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR2815	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR2815	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR2815	O=S(=O)(N)O	C5329146
PADEL_KR2815	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2815	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR2815	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR2815	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR2815	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2815	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR2816	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2816	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR2816	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2816	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR2816	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR2816	O=S(=O)(N)O	C5329146
PADEL_KR2816	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2816	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR2816	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2816	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2816	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR2816	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2816	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR2816	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2816	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR2816	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2816	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2816	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2816	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2816	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2816	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2816	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2816	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR2816	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2816	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR2816	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2820	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR2820	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2822	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2827	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR2833	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2833	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR2833	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR2833	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR2833	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR2833	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2833	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2836	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR2836	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2836	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR2840	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR2840	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR2848	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2848	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2848	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2848	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2852	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2852	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2852	CS(=O)(=O)OC	C66273
PADEL_KR2852	O=S(=O)(OC)OC	C77781
PADEL_KR2855	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR2855	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2855	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2855	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR2855	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2855	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2855	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR2855	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR2855	CS(=O)C	C67685
PADEL_KR2855	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR2855	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR2855	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2855	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR2855	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2855	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR2855	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2855	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR2855	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2855	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR2855	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR2855	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR2855	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR2855	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2855	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR2855	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2855	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR2855	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR2855	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR2855	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR2855	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2855	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR2855	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR2855	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR2855	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2855	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR2855	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR2855	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR2855	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR2855	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR2855	OCCSCCCCCCCC	C3547339
PADEL_KR2855	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR2855	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2855	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR2855	O=S(=O)(N)O	C5329146
PADEL_KR2855	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2855	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2855	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2855	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2855	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR2855	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR2855	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR2855	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2855	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2855	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR2855	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR2855	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2855	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR2855	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR2855	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR2855	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR2855	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR2855	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2855	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2855	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR2855	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR2855	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR2855	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2855	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2855	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR2855	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR2855	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2855	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR2855	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR2855	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR2855	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2855	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR2855	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR2855	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR2855	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2855	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2855	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR2855	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR2855	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR2855	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR2855	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR2855	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2855	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR2855	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2855	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2855	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR2855	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2855	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR2855	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR2855	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR2855	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2855	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2855	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR2855	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2855	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR2855	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2855	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2855	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR2855	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2855	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR2855	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR2855	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR2855	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR2855	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR2855	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR2855	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2855	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR2855	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR2855	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR2855	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2855	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR2855	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR2855	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR2855	NP(=O)(OC)SC	C10265926
PADEL_KR2855	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR2855	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2855	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2855	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR2855	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR2855	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2855	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2855	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2855	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2855	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2855	CN1CN(C)CSC1=S	C533744
PADEL_KR2855	C(SC#N)SC#N	C6317186
PADEL_KR2855	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR2855	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2855	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2855	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR2855	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2855	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2855	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR2855	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR2855	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2855	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR2855	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2855	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR2855	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR2855	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2855	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR2855	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR2855	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR2855	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2855	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2855	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2855	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR2855	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2855	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2855	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR2855	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2855	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2855	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2855	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2855	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR2855	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR2855	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2855	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2855	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR2855	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR2855	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR2855	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR2855	CS(=O)(=O)OC	C66273
PADEL_KR2855	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2855	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR2855	O=S1(=O)CCCO1	C1120714
PADEL_KR2855	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR2855	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR2855	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2855	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR2855	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR2855	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR2855	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR2855	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2855	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2855	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2855	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2855	O=S(=O)(OCC)OCC	C64675
PADEL_KR2855	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR2855	O=S(=O)(OC)OC	C77781
PADEL_KR2855	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR2855	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2855	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2855	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR2855	ON=CC(C)(C)SC	C1646759
PADEL_KR2855	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2855	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2855	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR2855	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR2855	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR2855	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR2855	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2855	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR2855	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR2855	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR2855	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR2855	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR2855	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR2855	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2855	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR2855	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR2855	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR2855	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2855	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2855	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR2855	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR2855	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2855	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2855	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR2855	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2855	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2855	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2855	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2855	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2855	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2855	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR2855	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2855	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR2855	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2855	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2855	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2855	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR2855	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2855	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2855	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2855	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2855	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2855	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2855	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR2855	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2855	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR2855	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR2855	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR2855	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2855	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2855	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR2855	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR2855	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2855	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR2855	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2855	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2855	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2855	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2855	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2855	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2855	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2855	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2855	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2855	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2855	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2855	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2855	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR2855	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2855	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2855	O=CCCSC	C3268493
PADEL_KR2855	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2855	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR2855	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR2855	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR2855	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR2855	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR2855	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2855	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2855	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR2855	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR2855	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2855	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR2855	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2855	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2855	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR2855	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2855	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR2855	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2855	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2855	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2855	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR2855	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR2855	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2855	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR2855	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2855	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR2855	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2855	N#CSCCCCCCCCCCCC	C765151
PADEL_KR2855	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2855	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2855	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR2855	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR2855	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR2855	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR2855	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR2855	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR2855	S=C=NCCCSC	C505793
PADEL_KR2855	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2855	c1(SSc2cccs2)cccs1	C6911519
PADEL_KR2855	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR2855	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR2855	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2856	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR2856	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR2856	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2856	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2856	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2856	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2856	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2856	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2856	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2856	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2856	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2856	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2856	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2856	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR2856	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR2856	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2856	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR2856	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR2856	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2856	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2857	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2857	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2857	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2857	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2857	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2857	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2858	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2863	OCCSCCCCCCCC	C3547339
PADEL_KR2863	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2865	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR2866	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR2866	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR2868	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR2868	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR2868	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR2868	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2868	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2868	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2868	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR2868	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2870	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR2870	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2870	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR2870	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR2874	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR2874	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR2876	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2876	CS(=O)C	C67685
PADEL_KR2876	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2876	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR2876	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2876	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR2876	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2876	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR2876	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2876	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR2876	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR2876	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR2876	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR2876	NP(=O)(OC)SC	C10265926
PADEL_KR2876	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR2876	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR2876	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR2876	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2876	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR2876	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2876	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2876	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2876	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR2876	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR2876	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR2876	CS(=O)(=O)OC	C66273
PADEL_KR2876	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2876	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2876	ON=CC(C)(C)SC	C1646759
PADEL_KR2876	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2876	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2876	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2876	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2876	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2876	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2876	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2876	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2876	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2876	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR2876	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR2876	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2876	O=CCCSC	C3268493
PADEL_KR2876	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2876	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2876	S=C=NCCCSC	C505793
PADEL_KR2877	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR2882	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2882	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR2882	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2882	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR2882	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR2882	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2882	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2882	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2882	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2882	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2882	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR2882	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR2882	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2882	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2882	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR2882	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR2882	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2882	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2884	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2885	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR2885	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2885	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR2886	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2886	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR2886	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2886	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR2886	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR2886	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR2886	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR2886	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2886	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR2886	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR2886	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2886	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR2886	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2886	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR2886	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR2886	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR2886	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR2886	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2886	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2886	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2886	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR2886	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2886	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR2886	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR2886	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2886	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR2886	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR2886	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR2886	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR2886	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR2886	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2886	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2886	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2886	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2886	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2886	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2886	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR2886	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR2886	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR2886	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR2886	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2886	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2886	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2886	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2887	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR2889	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR2893	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2893	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2893	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2893	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2893	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2893	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2893	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2893	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2902	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR2902	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR2905	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR2905	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR2905	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR2913	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR2913	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2913	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2913	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR2913	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR2913	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2915	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR2915	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2915	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2915	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR2923	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR2925	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR2925	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2925	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2925	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2925	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2925	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR2925	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR2925	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2925	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2925	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2925	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2925	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR2925	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR2925	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR2925	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR2925	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR2925	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR2925	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR2925	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR2925	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2925	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2925	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2925	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR2925	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2925	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR2925	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2925	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR2925	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2926	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2926	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2926	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2926	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2926	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2926	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2926	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2926	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2926	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2927	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2927	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2927	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2928	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2928	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR2928	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2928	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2928	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR2928	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR2928	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR2930	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2934	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR2934	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR2934	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR2934	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2934	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR2934	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR2934	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR2934	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2934	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR2934	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR2934	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2934	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2934	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2934	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR2934	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2934	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2934	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2934	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2934	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2934	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2934	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2934	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2934	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR2934	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR2934	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2934	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2934	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2934	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2934	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR2934	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2934	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2934	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR2934	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR2934	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR2934	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR2934	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR2934	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR2934	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR2934	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR2934	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR2934	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR2934	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR2934	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR2934	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR2934	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR2934	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2934	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR2934	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR2934	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2934	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR2934	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR2934	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR2934	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR2934	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR2934	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR2934	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR2934	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR2934	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR2934	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR2934	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR2934	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR2934	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR2934	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR2934	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR2934	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR2934	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR2934	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR2934	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR2934	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR2934	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR2934	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR2934	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2934	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2934	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2934	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2934	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2934	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2934	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR2934	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR2934	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2934	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2934	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR2934	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2934	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR2934	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2934	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR2934	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2934	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2934	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2937	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2937	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2937	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2937	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2937	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2938	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR2938	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR2938	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2938	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR2938	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2949	C=CCO	C107186
PADEL_KR2949	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2949	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR2949	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR2949	CC(CNCC(C)O)O	C110974
PADEL_KR2949	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR2949	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2949	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR2949	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR2949	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR2949	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR2949	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2949	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR2949	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR2949	CN(CCO)C	C108010
PADEL_KR2949	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR2949	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR2949	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR2949	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR2949	OC(CO)CCl	C96242
PADEL_KR2949	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2949	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR2949	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR2949	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR2949	COc1ccc(cc1)O	C150765
PADEL_KR2949	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR2949	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR2949	OC(=O)c1cccnc1	C59676
PADEL_KR2949	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR2949	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR2949	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2949	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR2949	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2949	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR2949	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR2949	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR2949	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR2949	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR2949	OCCOCCOCCOCCCC	C143226
PADEL_KR2949	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR2949	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR2949	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR2949	OC(=O)CCCC	C109524
PADEL_KR2949	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR2949	c1(O)ccccc1C(=O)N	C65452
PADEL_KR2949	OCCC	C71238
PADEL_KR2949	OC(C)CN	C78966
PADEL_KR2949	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR2949	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR2949	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR2949	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR2949	O=Cc1ccccc1O	C90028
PADEL_KR2949	Oc1cccc2ccccc12	C90153
PADEL_KR2949	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR2949	ON=C1CCCCC1	C100641
PADEL_KR2949	OCCN1CCNCC1	C103764
PADEL_KR2949	Oc1ccc(Cl)cc1	C106489
PADEL_KR2949	CC(O)CC(C)(C)O	C107415
PADEL_KR2949	C1CCCCC1O	C108930
PADEL_KR2949	C(O)C#CCO	C110656
PADEL_KR2949	CCNCCO	C110736
PADEL_KR2949	CCCCCCO	C111273
PADEL_KR2949	CCCCCCCO	C111706
PADEL_KR2949	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR2949	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR2949	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR2949	Oc1ccc(CC)cc1	C123079
PADEL_KR2949	CCCCCCCCCO	C143088
PADEL_KR2949	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR2949	Oc1ccc(CCC)cc1	C645567
PADEL_KR2949	C=CC(=O)OCCO	C818611
PADEL_KR2949	CC/C=C\CCO	C928961
PADEL_KR2949	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR2949	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR2949	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR2949	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR2949	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR2949	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR2949	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR2949	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR2949	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR2949	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR2949	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR2949	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR2949	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR2949	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR2949	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR2949	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR2949	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2949	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR2949	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR2949	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR2949	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR2949	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR2949	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR2949	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR2949	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR2949	c1(c(CC)cccc1)O	C90006
PADEL_KR2949	c1c(O)cccc1CC	C620177
PADEL_KR2949	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR2949	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR2949	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR2949	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR2949	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR2949	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR2949	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR2949	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR2949	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2949	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2949	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR2949	c1cccc(OC)c1O	C90051
PADEL_KR2949	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR2949	C(=O)(O)C(C)O	C50215
PADEL_KR2949	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR2949	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR2949	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2949	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR2949	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR2949	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR2949	C(=O)(O)CCC(=O)O	C110156
PADEL_KR2949	NC(CO)(CO)CO	C77861
PADEL_KR2949	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR2949	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR2949	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2949	Cc1cc(O)ccc1	C108394
PADEL_KR2949	OP(=O)(O)O	C7664382
PADEL_KR2949	CC(O)COC	C107982
PADEL_KR2949	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR2949	ON=CCCC	C110690
PADEL_KR2949	OCCCCO	C110634
PADEL_KR2949	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR2949	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR2949	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR2949	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR2949	OCNC(=O)NCO	C140954
PADEL_KR2949	Cc1c(C)cccc1O	C526750
PADEL_KR2949	Cc1cc(C)cc(O)c1	C108689
PADEL_KR2949	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2949	OCC(C(O)CCC)CC	C94962
PADEL_KR2949	c1c(CO)occ1	C98000
PADEL_KR2949	C(=O)(O)CO	C79141
PADEL_KR2949	C(C)(C)(O)C#N	C75865
PADEL_KR2949	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR2949	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR2949	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR2949	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR2949	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR2949	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR2949	C(=O)(O)C(=O)O	C144627
PADEL_KR2949	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR2949	O=C(O)CS	C68111
PADEL_KR2949	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR2949	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR2949	OCCc1ccccc1	C60128
PADEL_KR2949	O=C(O)c1ccccc1O	C69727
PADEL_KR2949	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR2949	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR2949	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR2949	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR2949	OCCOCCOCCOC	C112356
PADEL_KR2949	OCCOCCOCCOCCO	C112607
PADEL_KR2949	OCC(CO)(CO)CO	C115775
PADEL_KR2949	OC(CCCCCC)C	C123966
PADEL_KR2949	OCC(N)(C)C	C124685
PADEL_KR2949	OCC(C)(C)CO	C126307
PADEL_KR2949	Oc1ccc2ccccc2c1	C135193
PADEL_KR2949	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2949	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR2949	OC(C)COc1ccccc1	C770354
PADEL_KR2949	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR2949	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR2949	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR2949	OC1CCCCCCCCCCC1	C1724396
PADEL_KR2949	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR2949	OCCOCCC	C2807309
PADEL_KR2949	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR2949	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR2949	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR2949	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR2949	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR2949	CC(CO)O	C25322694
PADEL_KR2949	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR2949	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR2949	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR2949	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR2949	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR2949	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR2949	OCC1OCCC1	C97994
PADEL_KR2949	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR2949	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR2949	OC(C)COCCC	C1569013
PADEL_KR2949	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR2949	OCC(CCC)CCCCC	C10042598
PADEL_KR2949	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR2949	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR2949	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR2949	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR2949	OC(OCCCC)CC	C29387868
PADEL_KR2949	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR2949	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR2949	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR2949	OCn1nc(C)cc1C	C85264331
PADEL_KR2949	OCCSCCCCCCCC	C3547339
PADEL_KR2949	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR2949	OC1CCCC1	C96413
PADEL_KR2949	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR2949	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR2949	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR2949	O=S(=O)(N)O	C5329146
PADEL_KR2949	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2949	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR2949	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2949	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2949	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR2949	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR2949	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR2949	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2949	OC(CCCCC)C=C	C3391864
PADEL_KR2949	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR2949	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR2949	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR2949	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR2949	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR2949	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2949	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR2949	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR2949	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR2949	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR2949	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR2949	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR2949	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR2949	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR2949	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR2949	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR2949	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR2949	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR2949	O=C(c1ccccc1O)C	C118934
PADEL_KR2949	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2949	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR2949	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR2949	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR2949	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR2949	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR2949	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR2949	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR2949	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR2949	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR2949	CC(O)COCC	C1569024
PADEL_KR2949	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2949	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR2949	Oc1ccccc1CN(C)C	C120650
PADEL_KR2949	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR2949	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR2949	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR2949	OC(CC(C)C)(C)C#C	C107540
PADEL_KR2949	OCC=Cc1ccccc1	C104541
PADEL_KR2949	O=c1ccoc(CC)c1O	C4940118
PADEL_KR2949	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR2949	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR2949	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR2949	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR2949	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2949	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR2949	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR2949	N#Cc1c(O)cccc1	C611201
PADEL_KR2949	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2949	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR2949	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR2949	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2949	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR2949	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR2949	OP(OCC)OCC	C762049
PADEL_KR2949	OCCOCC(CC)CCCC	C1559359
PADEL_KR2949	OCCN(CC)CCO	C139877
PADEL_KR2949	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR2949	O=C(CF)O	C144490
PADEL_KR2949	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR2949	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR2949	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2949	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR2949	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR2949	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR2949	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR2949	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR2949	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR2949	OC(C)C(=O)OCCCC	C138227
PADEL_KR2949	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR2949	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR2949	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2949	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR2949	Oc1c(OCC)cccc1	C94713
PADEL_KR2949	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR2949	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR2949	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR2949	OC(CO)c1ccccc1	C93561
PADEL_KR2949	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2949	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2949	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR2949	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR2949	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR2949	Oc1c(C(C)C)cccc1	C88697
PADEL_KR2949	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR2949	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR2949	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR2949	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR2949	OCC(CCCC)CCCCCC	C3913028
PADEL_KR2949	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR2949	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR2949	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2949	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR2949	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR2949	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR2949	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2949	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR2949	OCCOCC(C)OCCO	C9003116
PADEL_KR2949	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR2949	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR2949	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR2949	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR2949	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR2949	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR2949	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR2949	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR2949	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR2949	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR2949	OC1CCC(CCCC)CC1	C70568604
PADEL_KR2949	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR2949	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2949	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR2949	OB(O)O	C10043353
PADEL_KR2949	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR2949	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2949	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2949	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR2949	C[As](=O)(C)O	C75605
PADEL_KR2949	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR2949	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR2949	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR2949	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_KR2949	c1ccccc1OCCO	C122996
PADEL_KR2949	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR2949	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR2949	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2949	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2949	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR2949	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2949	ClCCP(=O)(O)O	C16672870
PADEL_KR2949	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR2949	OCCOC	C109864
PADEL_KR2949	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2949	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR2949	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR2949	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2949	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR2949	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR2949	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR2949	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR2949	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR2949	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2949	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR2949	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR2949	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR2949	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR2949	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR2949	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR2949	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR2949	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2949	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2949	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR2949	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR2949	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR2949	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2949	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2949	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR2949	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR2949	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR2949	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2949	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR2949	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR2949	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR2949	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2949	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR2949	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR2949	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2949	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2949	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR2949	OC(=O)c1ccccc1	C65850
PADEL_KR2949	OCc1ccccc1	C100516
PADEL_KR2949	OCC(CO)(CBr)CBr	C3296900
PADEL_KR2949	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR2949	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR2949	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR2949	Oc1c(cccc1)O	C120809
PADEL_KR2949	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR2949	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR2949	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR2949	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2949	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR2949	OC(=O)C(Cl)Cl	C79436
PADEL_KR2949	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR2949	OCCOCCO	C111466
PADEL_KR2949	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR2949	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2949	C(CO)O	C107211
PADEL_KR2949	CCC(CCCC)CO	C104767
PADEL_KR2949	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR2949	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR2949	OCC(O)CO	C56815
PADEL_KR2949	OCC1CO1	C556525
PADEL_KR2949	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR2949	Oc1ccc(cc1)O	C123319
PADEL_KR2949	Oc1cccc2cccnc12	C148243
PADEL_KR2949	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR2949	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2949	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR2949	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR2949	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR2949	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR2949	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2949	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR2949	Oc1ccccc1	C108952
PADEL_KR2949	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR2949	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR2949	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR2949	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR2949	CC(CO)O	C57556
PADEL_KR2949	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR2949	Oc1cc(ccc1)O	C108463
PADEL_KR2949	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR2949	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2949	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR2949	OC(=O)C=CC=CC	C110441
PADEL_KR2949	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR2949	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2949	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR2949	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR2949	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR2949	OCCN(CCO)CCO	C102716
PADEL_KR2949	OCCOCCOCCO	C112276
PADEL_KR2949	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR2949	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR2949	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR2949	OC(=O)CCC	C107926
PADEL_KR2949	CCCCOCCOCCO	C112345
PADEL_KR2949	Oc1ccccc1Cl	C95578
PADEL_KR2949	CCCCCCCCCC(=O)O	C334485
PADEL_KR2949	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR2949	O=C(O)CCCCCC	C111148
PADEL_KR2949	OC(=O)CCCCC(=O)O	C124049
PADEL_KR2949	CCCCCC(=O)O	C142621
PADEL_KR2949	CCCCCCCCC(=O)O	C112050
PADEL_KR2949	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR2949	CCCCCCCC(=O)O	C124072
PADEL_KR2949	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR2949	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR2949	Oc1c(C)cccc1	C95487
PADEL_KR2949	CCC(=NO)C	C96297
PADEL_KR2949	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR2949	CCN(CCO)CC	C100378
PADEL_KR2949	Oc1c(C)cc(C)cc1	C105679
PADEL_KR2949	Oc1ccc(C)cc1	C106445
PADEL_KR2949	ClCCO	C107073
PADEL_KR2949	OCCNCCO	C111422
PADEL_KR2949	CCCCCCCCO	C111875
PADEL_KR2949	CCOCCOCCO	C111900
PADEL_KR2949	CCCCCCCCCCO	C112301
PADEL_KR2949	CCCCCCCCCCCCCO	C112709
PADEL_KR2949	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR2949	OCCN	C141435
PADEL_KR2949	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR2949	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR2949	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR2949	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR2949	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR2949	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR2949	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR2949	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR2949	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR2949	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR2949	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR2949	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2949	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2949	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR2949	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2949	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR2949	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR2949	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR2949	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2949	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR2949	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2949	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2949	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR2949	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR2949	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2949	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR2949	Oc1cc(C)c(C)cc1	C95658
PADEL_KR2949	Oc1c(cccc1C)C	C576261
PADEL_KR2949	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR2949	CCOCCO	C110805
PADEL_KR2949	CCCCOCCO	C111762
PADEL_KR2949	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR2949	OCCOCCOCCOCC	C112505
PADEL_KR2949	ON=CC(C)(C)SC	C1646759
PADEL_KR2949	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2949	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR2949	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR2949	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR2949	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR2949	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR2949	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR2949	OC(CCl)CCl	C96231
PADEL_KR2949	O(CCOC)CCO	C111773
PADEL_KR2949	Oc1c(ccc(C)c1)C	C95874
PADEL_KR2949	O=C(O)C(CCCC)CC	C149575
PADEL_KR2949	C(=O)(N)NO	C127071
PADEL_KR2949	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR2949	o1c(C)c(O)c(=O)cc1	C118718
PADEL_KR2949	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR2949	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2949	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR2949	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR2949	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR2949	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR2949	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR2949	OCCC(C)CCC=C(C)C	C106229
PADEL_KR2949	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR2949	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR2949	OCCC(O)C	C107880
PADEL_KR2949	OC(CC(C)C)C	C108112
PADEL_KR2949	OCCOCCCCCC	C112254
PADEL_KR2949	OCCCCCCCCCCC	C112425
PADEL_KR2949	OCCCCCCCCCCCC	C112538
PADEL_KR2949	OCCCCCCCCCCCCCC	C112721
PADEL_KR2949	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR2949	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR2949	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR2949	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR2949	OCCCCCCCCCCCCCCC	C629765
PADEL_KR2949	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2949	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR2949	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR2949	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR2949	OC(OC(O)CC)CC	C25265718
PADEL_KR2949	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR2949	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2949	OC(OCCCOC)CC	C34590948
PADEL_KR2949	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR2949	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR2949	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR2949	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR2949	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR2949	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR2949	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR2949	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR2949	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR2949	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR2949	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR2949	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR2949	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR2949	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR2949	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR2949	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR2949	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR2949	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR2949	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR2949	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR2949	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR2949	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR2949	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR2949	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR2949	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR2949	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR2949	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR2949	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2949	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR2949	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR2949	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR2949	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR2949	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR2949	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2949	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2949	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2949	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR2949	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2949	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2949	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2949	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR2949	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR2949	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2949	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2949	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR2949	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2949	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2949	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR2949	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2949	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2949	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR2949	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR2949	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR2949	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR2949	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR2949	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2949	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2949	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2949	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2949	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2949	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR2949	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR2949	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR2949	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR2949	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2949	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR2949	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2949	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR2949	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2949	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2949	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2949	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2949	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2949	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR2949	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR2949	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2949	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2949	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2949	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2949	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR2949	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR2949	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR2949	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR2949	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR2949	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2949	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2949	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR2949	OCCCBr	C627189
PADEL_KR2949	C(=O)(C)O	C64197
PADEL_KR2949	C(CO)C(C)C	C123513
PADEL_KR2949	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2949	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR2949	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2949	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR2949	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2949	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR2949	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR2949	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2949	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2949	OCCC(OC)C	C2517433
PADEL_KR2949	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR2949	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2949	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR2949	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR2949	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2949	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR2949	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR2949	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2949	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR2949	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR2949	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR2949	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR2949	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2949	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR2949	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR2949	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR2949	CC(=O)C(=O)O	C127173
PADEL_KR2949	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR2949	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR2949	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR2949	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR2949	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR2949	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR2949	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR2949	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2949	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR2949	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR2949	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR2949	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2949	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR2949	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR2949	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR2949	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR2949	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR2949	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR2949	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR2949	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2949	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR2949	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2949	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR2949	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR2949	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR2949	OCC=C(C)C	C556821
PADEL_KR2949	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR2949	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2949	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2949	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR2949	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR2949	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR2949	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR2949	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2949	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR2949	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR2949	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR2949	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR2949	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR2949	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR2949	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR2949	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2949	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2949	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR2949	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR2949	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR2949	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR2949	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2949	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2949	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR2949	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR2949	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR2949	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR2949	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2949	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2949	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR2949	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR2949	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2949	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2949	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR2949	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR2949	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR2949	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR2949	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR2949	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2949	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR2949	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR2949	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2949	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2949	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR2949	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2949	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR2949	O=C(OCCCCO)C=C	C2478106
PADEL_KR2949	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR2949	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2949	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2949	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR2949	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR2949	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR2949	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR2949	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR2949	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR2949	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR2949	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR2949	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2949	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR2949	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR2949	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR2949	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR2949	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2949	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR2949	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2949	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR2949	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2949	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR2949	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR2949	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR2949	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2950	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2950	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2950	BrCCBr	C106934
PADEL_KR2950	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR2950	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR2950	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR2950	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR2950	Brc1ccc(F)cc1	C460004
PADEL_KR2950	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR2950	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2950	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR2950	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR2950	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR2950	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2950	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR2950	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR2950	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR2950	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR2950	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2950	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR2950	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR2950	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2950	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR2950	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2950	OCC(CO)(CBr)CBr	C3296900
PADEL_KR2950	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR2950	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR2950	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR2950	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR2950	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR2950	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR2950	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2950	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2950	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2950	N#CC(Br)Br	C3252435
PADEL_KR2950	OCCCBr	C627189
PADEL_KR2950	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2950	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2950	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR2950	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR2950	Nc1ccc(Br)cc1	C106401
PADEL_KR2950	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR2950	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2950	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2950	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR2950	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR2950	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR2950	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2950	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR2950	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR2950	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2950	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR2950	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR2950	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2950	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR2950	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR2950	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR2950	BrCCCCCCCCCCCC	C143157
PADEL_KR2950	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2950	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2950	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR2953	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR2959	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2960	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2964	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2964	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR2966	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR2966	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR2966	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2966	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2966	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR2966	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR2966	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2966	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2966	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2966	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2966	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2966	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2967	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2967	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2967	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2969	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR2969	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR2969	Brc1ccc(F)cc1	C460004
PADEL_KR2969	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2969	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2969	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR2969	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2969	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR2969	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR2969	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR2969	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2969	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2969	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2969	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2969	Nc1ccc(Br)cc1	C106401
PADEL_KR2969	Brc1ccccc1c1ccccc1	C2052075
PADEL_KR2969	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2969	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR2969	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2969	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR2969	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2969	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR2969	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2969	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2969	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2970	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2970	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2971	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2975	CC(=O)N	C60355
PADEL_KR2975	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR2975	C=CC#N	C107131
PADEL_KR2975	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR2975	C=CCO	C107186
PADEL_KR2975	C=CCN=C=S	C57067
PADEL_KR2975	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR2975	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2975	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR2975	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR2975	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR2975	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR2975	CC(=O)OCc1ccccc1	C140114
PADEL_KR2975	CC(CNCC(C)O)O	C110974
PADEL_KR2975	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR2975	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR2975	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2975	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR2975	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR2975	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR2975	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR2975	Clc1c(ccc(c1)N)C	C95749
PADEL_KR2975	O=CCCl	C107200
PADEL_KR2975	ClCOC	C107302
PADEL_KR2975	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2975	NC(=N)NC#N	C461585
PADEL_KR2975	O=C1CCCCC1	C108941
PADEL_KR2975	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2975	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR2975	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR2975	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR2975	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2975	BrCCBr	C106934
PADEL_KR2975	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR2975	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR2975	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR2975	S=C(NCC)NCC	C105555
PADEL_KR2975	CN(C)C(=O)C	C127195
PADEL_KR2975	CN(CCO)C	C108010
PADEL_KR2975	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR2975	CN(C)N	C57147
PADEL_KR2975	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR2975	C=CCc1ccc(cc1)OC	C140670
PADEL_KR2975	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR2975	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR2975	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR2975	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR2975	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2975	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR2975	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR2975	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR2975	OC(CO)CCl	C96242
PADEL_KR2975	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2975	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR2975	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR2975	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR2975	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR2975	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR2975	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR2975	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2975	COc1ccc(cc1)O	C150765
PADEL_KR2975	NC(=O)OC	C598550
PADEL_KR2975	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR2975	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR2975	C=Cc1ccc(cc1)C	C622979
PADEL_KR2975	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR2975	NC(=O)c1cccnc1	C98920
PADEL_KR2975	OC(=O)c1cccnc1	C59676
PADEL_KR2975	O=[N+](CC)[O-]	C79243
PADEL_KR2975	CN(C(=O)N)N=O	C684935
PADEL_KR2975	CN(N=O)C	C62759
PADEL_KR2975	O=NN1CCCC1	C930552
PADEL_KR2975	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR2975	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR2975	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2975	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR2975	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR2975	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR2975	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR2975	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR2975	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR2975	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR2975	NC(=S)N	C62566
PADEL_KR2975	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR2975	Nc1ccccc1C.Cl	C636215
PADEL_KR2975	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR2975	ClCC(Cl)CCl	C96184
PADEL_KR2975	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR2975	O=P(OC)(OC)OC	C512561
PADEL_KR2975	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR2975	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR2975	O=CCc1ccccc1	C122781
PADEL_KR2975	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR2975	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR2975	OCCOCCOCCOCCCC	C143226
PADEL_KR2975	CCCCCCCCCC=O	C112312
PADEL_KR2975	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR2975	O=CCCCCCC	C111717
PADEL_KR2975	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR2975	CCCCCCCCC=O	C124196
PADEL_KR2975	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR2975	OC(=O)CCCC	C109524
PADEL_KR2975	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR2975	c1(O)ccccc1C(=O)N	C65452
PADEL_KR2975	CS(=O)C	C67685
PADEL_KR2975	OCCC	C71238
PADEL_KR2975	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR2975	OC(C)CN	C78966
PADEL_KR2975	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR2975	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR2975	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR2975	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR2975	O=Cc1ccccc1O	C90028
PADEL_KR2975	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR2975	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR2975	ON=C1CCCCC1	C100641
PADEL_KR2975	OCCN1CCNCC1	C103764
PADEL_KR2975	Nc1ccc(CCCC)cc1	C104132
PADEL_KR2975	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR2975	CC(O)CC(C)(C)O	C107415
PADEL_KR2975	CCCC(=O)C	C107879
PADEL_KR2975	C1CCCCC1O	C108930
PADEL_KR2975	N#CCC#N	C109773
PADEL_KR2975	CCCCCC(=O)C	C110430
PADEL_KR2975	C(O)C#CCO	C110656
PADEL_KR2975	CCNCCO	C110736
PADEL_KR2975	CCCCCCO	C111273
PADEL_KR2975	CCCCCCCO	C111706
PADEL_KR2975	CCCCCCCCCC(=O)C	C112129
PADEL_KR2975	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR2975	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR2975	Oc1ccc(CC)cc1	C123079
PADEL_KR2975	CCCCCC(=O)OCC	C123660
PADEL_KR2975	CCCCCCCCCCCCN	C124221
PADEL_KR2975	NCCN1CCNCC1	C140318
PADEL_KR2975	CCCCCCCCCO	C143088
PADEL_KR2975	COc1ccc(OC)cc1	C150787
PADEL_KR2975	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR2975	O=C(OC(C)(C)C)C	C540885
PADEL_KR2975	Oc1ccc(CCC)cc1	C645567
PADEL_KR2975	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR2975	C=CC(Cl)CCl	C760236
PADEL_KR2975	C=CC(=O)OCCO	C818611
PADEL_KR2975	CC/C=C\CCO	C928961
PADEL_KR2975	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR2975	CCCCCCCCCCN	C2016571
PADEL_KR2975	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR2975	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR2975	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR2975	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_KR2975	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR2975	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR2975	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2975	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR2975	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR2975	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR2975	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR2975	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR2975	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR2975	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR2975	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR2975	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR2975	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR2975	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2975	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR2975	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR2975	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR2975	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR2975	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR2975	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR2975	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR2975	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR2975	c1(c(CC)cccc1)O	C90006
PADEL_KR2975	c1c(O)cccc1CC	C620177
PADEL_KR2975	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR2975	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR2975	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR2975	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR2975	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR2975	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR2975	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR2975	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR2975	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR2975	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR2975	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR2975	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2975	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR2975	c1cccc(OC)c1O	C90051
PADEL_KR2975	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR2975	C(=O)(O)C(C)O	C50215
PADEL_KR2975	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR2975	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR2975	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR2975	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR2975	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2975	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR2975	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR2975	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR2975	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR2975	C(=O)(O)CCC(=O)O	C110156
PADEL_KR2975	NC(CO)(CO)CO	C77861
PADEL_KR2975	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR2975	C[Si](=O)C	C9016006
PADEL_KR2975	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR2975	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR2975	Cl/C=C/Cl	C156605
PADEL_KR2975	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR2975	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR2975	CNC	C124403
PADEL_KR2975	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2975	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR2975	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR2975	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR2975	CC(=C)C#N	C126987
PADEL_KR2975	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR2975	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR2975	Cc1cc(O)ccc1	C108394
PADEL_KR2975	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR2975	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR2975	CC(O)COC	C107982
PADEL_KR2975	[Na+].[O-]C(=O)CF	C62748
PADEL_KR2975	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR2975	O=C(N)N=NC(=O)N	C123773
PADEL_KR2975	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR2975	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2975	ON=CCCC	C110690
PADEL_KR2975	OCCCCO	C110634
PADEL_KR2975	O=C(OCCCC)C=C	C141322
PADEL_KR2975	C(C)(C)(C)N	C75649
PADEL_KR2975	C(OCCCC)C1CO1	C2426086
PADEL_KR2975	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR2975	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR2975	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR2975	O=C/C=C/c1ccccc1	C14371109
PADEL_KR2975	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR2975	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR2975	C(CCN)CCCN	C124094
PADEL_KR2975	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR2975	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR2975	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR2975	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR2975	N(CCN)CCN	C111400
PADEL_KR2975	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR2975	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR2975	N(CCCN)(C)C	C109557
PADEL_KR2975	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR2975	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR2975	OCNC(=O)NCO	C140954
PADEL_KR2975	Cc1c(C)cccc1O	C526750
PADEL_KR2975	Cc1cc(C)cc(O)c1	C108689
PADEL_KR2975	C=Cc1ccccc1C=C	C1321740
PADEL_KR2975	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR2975	C(CCCCCC)CCCCCS	C112550
PADEL_KR2975	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR2975	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR2975	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR2975	C(CC)(C=O)CCCC	C123057
PADEL_KR2975	OCC(C(O)CCC)CC	C94962
PADEL_KR2975	CCC(=CCCC)C=O	C645625
PADEL_KR2975	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR2975	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR2975	CC=C1CC2C=CC1C2	C16219753
PADEL_KR2975	c1c(CO)occ1	C98000
PADEL_KR2975	O=CCCCC=O	C111308
PADEL_KR2975	C(=O)(O)CO	C79141
PADEL_KR2975	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_KR2975	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR2975	C(C)(C)(O)C#N	C75865
PADEL_KR2975	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR2975	O(C(C)C)C(=O)C	C108214
PADEL_KR2975	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR2975	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR2975	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR2975	N#CC(CCC#N)C	C4553622
PADEL_KR2975	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR2975	C1COCCN1	C110918
PADEL_KR2975	C(CCCCCCC)C	C111842
PADEL_KR2975	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR2975	C(=O)(O)C(=O)O	C144627
PADEL_KR2975	O(c1ccc(N)cc1)CC	C156434
PADEL_KR2975	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR2975	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR2975	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2975	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR2975	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR2975	c12ccccc1CCCC2	C119642
PADEL_KR2975	O=C(O)CS	C68111
PADEL_KR2975	Cc1cccc2nn[nH]c12	C29385431
PADEL_KR2975	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR2975	O=P(OCC)(OCC)OCC	C78400
PADEL_KR2975	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR2975	N(C)(C)C	C75503
PADEL_KR2975	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR2975	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR2975	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR2975	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR2975	Cc1cccc(C)c1	C108383
PADEL_KR2975	OCCc1ccccc1	C60128
PADEL_KR2975	O=C(O)c1ccccc1O	C69727
PADEL_KR2975	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR2975	N#CC(C)C	C78820
PADEL_KR2975	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR2975	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR2975	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR2975	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR2975	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR2975	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR2975	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR2975	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR2975	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR2975	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR2975	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR2975	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR2975	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR2975	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_KR2975	O=C1OCC(C)O1	C108327
PADEL_KR2975	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR2975	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR2975	O=C(OC)CCCCCCCCC	C110429
PADEL_KR2975	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR2975	N1CCCCCC1	C111499
PADEL_KR2975	O=C(C)OCCOC(=O)C	C111557
PADEL_KR2975	O=C(C)OCCOCCCC	C112072
PADEL_KR2975	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR2975	OCCOCCOCCOC	C112356
PADEL_KR2975	OCCOCCOCCOCCO	C112607
PADEL_KR2975	OCC(CO)(CO)CO	C115775
PADEL_KR2975	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR2975	O=Cc1ccc(OC)cc1	C123115
PADEL_KR2975	OC(CCCCCC)C	C123966
PADEL_KR2975	OCC(N)(C)C	C124685
PADEL_KR2975	OCC(C)(C)CO	C126307
PADEL_KR2975	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR2975	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR2975	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR2975	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR2975	C1=CC=CC1	C542927
PADEL_KR2975	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR2975	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR2975	O=C1NCCC1	C616455
PADEL_KR2975	O=COC(C)C	C625558
PADEL_KR2975	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR2975	Cl[Sn](C)(C)Cl	C753731
PADEL_KR2975	OC(C)COc1ccccc1	C770354
PADEL_KR2975	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR2975	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR2975	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR2975	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR2975	Nc1cccc(C)c1C	C1300738
PADEL_KR2975	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR2975	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR2975	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR2975	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR2975	OC1CCCCCCCCCCC1	C1724396
PADEL_KR2975	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR2975	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR2975	NNC(=S)NN	C2231574
PADEL_KR2975	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR2975	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR2975	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR2975	OCCOCCC	C2807309
PADEL_KR2975	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR2975	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR2975	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR2975	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR2975	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR2975	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR2975	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR2975	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR2975	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR2975	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR2975	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR2975	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR2975	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR2975	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR2975	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR2975	Nc1c(C)cccc1CC	C24549062
PADEL_KR2975	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR2975	Clc1cccc(C)c1	C25168052
PADEL_KR2975	CC(CO)O	C25322694
PADEL_KR2975	SC(C)(C)CCCCCC	C25360105
PADEL_KR2975	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR2975	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR2975	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR2975	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR2975	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR2975	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR2975	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR2975	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR2975	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR2975	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR2975	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR2975	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR2975	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR2975	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR2975	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR2975	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR2975	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR2975	OCC1OCCC1	C97994
PADEL_KR2975	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR2975	CN1CCOCC1	C109024
PADEL_KR2975	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR2975	O=C1CCCC1	C120923
PADEL_KR2975	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR2975	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR2975	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR2975	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR2975	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR2975	O=C(C=C(C)C)C	C141797
PADEL_KR2975	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR2975	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR2975	OC(C)COCCC	C1569013
PADEL_KR2975	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR2975	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR2975	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR2975	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR2975	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR2975	OCC(CCC)CCCCC	C10042598
PADEL_KR2975	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR2975	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR2975	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR2975	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR2975	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR2975	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR2975	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR2975	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR2975	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR2975	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR2975	N#C[S-].[NH4+]	C1762954
PADEL_KR2975	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR2975	OC(OCCCC)CC	C29387868
PADEL_KR2975	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR2975	ClC(Cl)(C)C	C594207
PADEL_KR2975	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR2975	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR2975	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR2975	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR2975	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR2975	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR2975	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR2975	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR2975	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR2975	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR2975	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR2975	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR2975	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR2975	OCn1nc(C)cc1C	C85264331
PADEL_KR2975	OCCSCCCCCCCC	C3547339
PADEL_KR2975	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR2975	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2975	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR2975	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR2975	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2975	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR2975	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR2975	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR2975	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR2975	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR2975	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2975	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR2975	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR2975	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR2975	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR2975	OC1CCCC1	C96413
PADEL_KR2975	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR2975	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR2975	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR2975	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR2975	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR2975	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR2975	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2975	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2975	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR2975	O=C1OC(CCCCC)CC1	C104610
PADEL_KR2975	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2975	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR2975	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR2975	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR2975	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR2975	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR2975	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR2975	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR2975	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR2975	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR2975	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR2975	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR2975	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR2975	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR2975	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR2975	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR2975	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR2975	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR2975	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR2975	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR2975	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR2975	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR2975	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR2975	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR2975	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR2975	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR2975	OC(CCCCC)C=C	C3391864
PADEL_KR2975	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR2975	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR2975	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR2975	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR2975	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR2975	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR2975	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR2975	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR2975	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR2975	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR2975	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR2975	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR2975	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR2975	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR2975	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR2975	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2975	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR2975	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR2975	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2975	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR2975	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR2975	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2975	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2975	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR2975	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR2975	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR2975	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR2975	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR2975	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR2975	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR2975	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR2975	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR2975	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR2975	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_KR2975	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_KR2975	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_KR2975	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR2975	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR2975	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR2975	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR2975	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR2975	O=C(CC)OCC	C105373
PADEL_KR2975	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR2975	O=C(c1ccccc1O)C	C118934
PADEL_KR2975	O=C1OCC(CC)O1	C4437858
PADEL_KR2975	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR2975	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2975	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR2975	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR2975	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2975	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR2975	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR2975	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR2975	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR2975	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_KR2975	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR2975	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR2975	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR2975	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR2975	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR2975	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR2975	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR2975	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR2975	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR2975	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR2975	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR2975	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR2975	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR2975	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR2975	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR2975	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR2975	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR2975	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR2975	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR2975	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR2975	CC(O)COCC	C1569024
PADEL_KR2975	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR2975	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR2975	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR2975	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR2975	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR2975	Oc1ccccc1CN(C)C	C120650
PADEL_KR2975	O=C1CCC(O1)CC	C695067
PADEL_KR2975	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR2975	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2975	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR2975	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR2975	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR2975	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR2975	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR2975	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR2975	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR2975	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR2975	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR2975	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR2975	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR2975	O=C/C=C/CCC	C6728263
PADEL_KR2975	O1C=CCCC1	C110872
PADEL_KR2975	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR2975	OC(CC(C)C)(C)C#C	C107540
PADEL_KR2975	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR2975	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR2975	OCC=Cc1ccccc1	C104541
PADEL_KR2975	CCC(c1ccccc1)CCC	C4468422
PADEL_KR2975	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR2975	O=CCC/C=C\CCCCC	C21662099
PADEL_KR2975	O=c1ccoc(CC)c1O	C4940118
PADEL_KR2975	NCCCN1CCOCC1	C123002
PADEL_KR2975	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR2975	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR2975	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR2975	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR2975	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR2975	O=C(CCC)OCCCCC	C540181
PADEL_KR2975	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR2975	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2975	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR2975	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR2975	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR2975	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR2975	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR2975	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR2975	N#Cc1c(O)cccc1	C611201
PADEL_KR2975	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2975	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR2975	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2975	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR2975	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR2975	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR2975	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR2975	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR2975	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR2975	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR2975	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2975	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR2975	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR2975	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR2975	OP(OCC)OCC	C762049
PADEL_KR2975	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR2975	c1(Cc2ccccc2)ccccc1	C101815
PADEL_KR2975	OCCOCC(CC)CCCC	C1559359
PADEL_KR2975	O=C(CC)CCCCC	C106683
PADEL_KR2975	OCCN(CC)CCO	C139877
PADEL_KR2975	CCOC(OCC)OCC	C122510
PADEL_KR2975	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR2975	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR2975	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR2975	O=C(CF)O	C144490
PADEL_KR2975	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR2975	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR2975	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR2975	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR2975	c12ccccc1CC=C2	C95136
PADEL_KR2975	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR2975	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR2975	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR2975	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR2975	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR2975	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR2975	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR2975	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR2975	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR2975	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR2975	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR2975	S=C(NC)NC	C534134
PADEL_KR2975	OC(C)C(=O)OCCCC	C138227
PADEL_KR2975	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR2975	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR2975	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR2975	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2975	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR2975	Oc1c(OCC)cccc1	C94713
PADEL_KR2975	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR2975	COc1ccc(CCC)cc1	C104450
PADEL_KR2975	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR2975	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR2975	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR2975	CO[Si](C)(C)OC	C1112396
PADEL_KR2975	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR2975	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR2975	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR2975	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR2975	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR2975	OC(CO)c1ccccc1	C93561
PADEL_KR2975	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR2975	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2975	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR2975	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR2975	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR2975	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR2975	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR2975	O=C(N)Nc1ccccc1	C64108
PADEL_KR2975	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR2975	O=C(C)OCCCCCCCC	C112141
PADEL_KR2975	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR2975	NNC(=S)NC	C6610293
PADEL_KR2975	Oc1c(C(C)C)cccc1	C88697
PADEL_KR2975	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR2975	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR2975	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR2975	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR2975	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR2975	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR2975	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR2975	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2975	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR2975	NCCN.I.I	C5700492
PADEL_KR2975	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR2975	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR2975	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR2975	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR2975	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR2975	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR2975	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR2975	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR2975	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR2975	OCC(CCCC)CCCCCC	C3913028
PADEL_KR2975	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR2975	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR2975	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR2975	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR2975	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR2975	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR2975	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR2975	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR2975	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2975	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2975	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR2975	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR2975	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR2975	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR2975	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR2975	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR2975	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR2975	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR2975	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2975	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR2975	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2975	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR2975	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR2975	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR2975	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR2975	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR2975	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR2975	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR2975	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR2975	OCCOCC(C)OCCO	C9003116
PADEL_KR2975	O=C1OC(CCC)CC1	C105215
PADEL_KR2975	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR2975	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR2975	C=O	C50000
PADEL_KR2975	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR2975	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR2975	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR2975	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR2975	Nc1ccc(CCC)cc1	C2696846
PADEL_KR2975	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR2975	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR2975	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR2975	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2975	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR2975	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR2975	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR2975	Sc1ccc(C)cc1	C106456
PADEL_KR2975	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR2975	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR2975	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR2975	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR2975	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR2975	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR2975	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR2975	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR2975	O=C1CCC(CCC)CC1	C40649363
PADEL_KR2975	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR2975	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR2975	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR2975	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR2975	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR2975	OC1CCC(CCCC)CC1	C70568604
PADEL_KR2975	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR2975	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR2975	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR2975	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR2975	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR2975	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR2975	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR2975	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR2975	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR2975	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2975	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2975	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR2975	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR2975	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR2975	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR2975	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR2975	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR2975	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR2975	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR2975	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR2975	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2975	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR2975	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR2975	C[As](=O)(C)O	C75605
PADEL_KR2975	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2975	S=C1NCCN1	C96457
PADEL_KR2975	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR2975	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR2975	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR2975	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR2975	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR2975	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR2975	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR2975	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR2975	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR2975	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR2975	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR2975	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR2975	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR2975	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR2975	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR2975	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2975	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR2975	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR2975	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR2975	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR2975	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR2975	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR2975	c1ccccc1OCCO	C122996
PADEL_KR2975	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR2975	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR2975	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR2975	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR2975	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR2975	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR2975	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR2975	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR2975	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2975	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR2975	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR2975	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR2975	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR2975	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2975	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR2975	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR2975	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR2975	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR2975	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR2975	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR2975	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2975	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR2975	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR2975	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR2975	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR2975	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2975	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR2975	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR2975	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR2975	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2975	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR2975	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2975	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR2975	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR2975	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR2975	ClCCP(=O)(O)O	C16672870
PADEL_KR2975	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR2975	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR2975	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR2975	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR2975	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2975	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR2975	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR2975	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR2975	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR2975	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR2975	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR2975	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR2975	NP(=O)(OC)SC	C10265926
PADEL_KR2975	OCCOC	C109864
PADEL_KR2975	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR2975	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR2975	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR2975	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR2975	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR2975	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR2975	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR2975	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR2975	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR2975	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR2975	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR2975	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR2975	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR2975	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR2975	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR2975	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR2975	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR2975	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2975	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR2975	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR2975	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR2975	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2975	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR2975	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR2975	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR2975	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR2975	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR2975	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2975	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR2975	CN1CN(C)CSC1=S	C533744
PADEL_KR2975	C(SC#N)SC#N	C6317186
PADEL_KR2975	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR2975	S=C=NC	C556616
PADEL_KR2975	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR2975	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR2975	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR2975	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR2975	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR2975	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR2975	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR2975	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR2975	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR2975	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR2975	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2975	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR2975	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR2975	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR2975	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR2975	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR2975	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR2975	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR2975	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR2975	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2975	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR2975	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR2975	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR2975	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR2975	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR2975	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR2975	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR2975	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR2975	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2975	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR2975	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR2975	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR2975	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR2975	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR2975	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR2975	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2975	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR2975	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR2975	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR2975	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR2975	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR2975	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR2975	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR2975	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR2975	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR2975	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR2975	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2975	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2975	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR2975	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR2975	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR2975	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR2975	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR2975	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2975	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR2975	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR2975	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR2975	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR2975	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR2975	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR2975	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR2975	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR2975	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR2975	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR2975	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR2975	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR2975	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR2975	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR2975	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR2975	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR2975	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR2975	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR2975	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR2975	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2975	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR2975	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2975	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR2975	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR2975	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR2975	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR2975	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR2975	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR2975	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR2975	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR2975	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR2975	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR2975	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR2975	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2975	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR2975	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR2975	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR2975	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR2975	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR2975	N#CN	C420042
PADEL_KR2975	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2975	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2975	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR2975	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2975	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2975	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR2975	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR2975	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR2975	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR2975	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2975	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR2975	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR2975	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR2975	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR2975	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR2975	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR2975	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR2975	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR2975	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR2975	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR2975	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR2975	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR2975	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2975	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR2975	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR2975	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR2975	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR2975	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR2975	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR2975	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR2975	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR2975	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR2975	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR2975	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR2975	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR2975	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR2975	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR2975	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR2975	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR2975	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR2975	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2975	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR2975	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR2975	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR2975	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR2975	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR2975	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR2975	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR2975	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR2975	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR2975	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR2975	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR2975	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR2975	NC(=O)C=C	C79061
PADEL_KR2975	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR2975	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR2975	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR2975	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR2975	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2975	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR2975	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR2975	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR2975	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR2975	OC(=O)c1ccccc1	C65850
PADEL_KR2975	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR2975	OCc1ccccc1	C100516
PADEL_KR2975	OCC(CO)(CBr)CBr	C3296900
PADEL_KR2975	ClCCOCCCl	C111444
PADEL_KR2975	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR2975	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR2975	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR2975	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR2975	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR2975	O=C1CCCO1	C96480
PADEL_KR2975	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_KR2975	O=C1CCCCCN1	C105602
PADEL_KR2975	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR2975	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR2975	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR2975	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR2975	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR2975	O=C(c1ccccc1)CCl	C532274
PADEL_KR2975	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2975	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR2975	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR2975	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR2975	Nc1cc(ccc1OC)C	C120718
PADEL_KR2975	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR2975	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR2975	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR2975	Nc1c(ccc(c1)N)C	C95807
PADEL_KR2975	OC(=O)C(Cl)Cl	C79436
PADEL_KR2975	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR2975	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR2975	OCCOCCO	C111466
PADEL_KR2975	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR2975	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR2975	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR2975	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR2975	CN(c1ccccc1)C	C121697
PADEL_KR2975	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR2975	O=C(N(C)C)Cl	C79447
PADEL_KR2975	CN(C=O)C	C68122
PADEL_KR2975	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR2975	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR2975	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2975	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR2975	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR2975	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2975	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR2975	C(CO)O	C107211
PADEL_KR2975	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR2975	CCC(CCCC)CO	C104767
PADEL_KR2975	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR2975	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR2975	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR2975	O=Cc1ccco1	C98011
PADEL_KR2975	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2975	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR2975	OCC(O)CO	C56815
PADEL_KR2975	OCC1CO1	C556525
PADEL_KR2975	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR2975	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR2975	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR2975	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR2975	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR2975	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR2975	O=C(c1ccncc1)NN	C54853
PADEL_KR2975	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR2975	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2975	[nH]1c(=S)n(cc1)C	C60560
PADEL_KR2975	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR2975	CS(=O)(=O)OC	C66273
PADEL_KR2975	O=C1N(CCC1)C	C872504
PADEL_KR2975	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR2975	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR2975	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR2975	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR2975	Cc1cc2cccnc2cc1	C91623
PADEL_KR2975	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR2975	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR2975	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR2975	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR2975	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR2975	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR2975	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR2975	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR2975	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR2975	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR2975	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR2975	O=NN(CCCC)CCCC	C924163
PADEL_KR2975	CCN(CC)N=O	C55185
PADEL_KR2975	O=NN(CCC)CCC	C621647
PADEL_KR2975	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2975	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR2975	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR2975	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR2975	C1CNCCN1	C110850
PADEL_KR2975	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR2975	O=S1(=O)CCCO1	C1120714
PADEL_KR2975	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR2975	CC(CO)O	C57556
PADEL_KR2975	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR2975	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR2975	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR2975	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR2975	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2975	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR2975	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR2975	OC(=O)C=CC=CC	C110441
PADEL_KR2975	C1C(c2ccccc2)O1	C96093
PADEL_KR2975	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR2975	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2975	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR2975	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR2975	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR2975	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR2975	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR2975	OCCN(CCO)CCO	C102716
PADEL_KR2975	OCCOCCOCCO	C112276
PADEL_KR2975	Cc1c(ccc(c1)C)C	C95636
PADEL_KR2975	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR2975	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR2975	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR2975	C(=O)(N)N	C57136
PADEL_KR2975	NC(=O)OCC	C51796
PADEL_KR2975	O=C1N(C=C)CCC1	C88120
PADEL_KR2975	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR2975	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR2975	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR2975	OC(=O)CCC	C107926
PADEL_KR2975	CCCCOCCOCCO	C112345
PADEL_KR2975	CCCCCCCCCC(=O)O	C334485
PADEL_KR2975	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR2975	O=C(O)CCCCCC	C111148
PADEL_KR2975	OC(=O)CCCCC(=O)O	C124049
PADEL_KR2975	CCCCCC(=O)O	C142621
PADEL_KR2975	CCCCCCCCC(=O)O	C112050
PADEL_KR2975	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR2975	CCCCCCCC=O	C124130
PADEL_KR2975	CCCCCCCC(=O)O	C124072
PADEL_KR2975	CCCCC=O	C110623
PADEL_KR2975	CCCCCCCCCCC	C1120214
PADEL_KR2975	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR2975	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR2975	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR2975	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR2975	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR2975	CCN(CC)c1ccccc1	C91667
PADEL_KR2975	Oc1c(C)cccc1	C95487
PADEL_KR2975	CCC(=NO)C	C96297
PADEL_KR2975	c1ccccc1C(=O)C	C98862
PADEL_KR2975	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR2975	CN(C)c1ccc(C)cc1	C99978
PADEL_KR2975	CCN(CCO)CC	C100378
PADEL_KR2975	CCNc1cc(C)ccc1	C102272
PADEL_KR2975	Oc1c(C)cc(C)cc1	C105679
PADEL_KR2975	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR2975	Oc1ccc(C)cc1	C106445
PADEL_KR2975	Nc1ccc(C)cc1	C106490
PADEL_KR2975	ClCCO	C107073
PADEL_KR2975	CC(=O)OCCOCC	C111159
PADEL_KR2975	OCCNCCO	C111422
PADEL_KR2975	N#CCCCCC#N	C111693
PADEL_KR2975	CCCCCCCCO	C111875
PADEL_KR2975	CCOCCOCCO	C111900
PADEL_KR2975	CCCCCCCCCCO	C112301
PADEL_KR2975	CCCCCCCCCCCCCO	C112709
PADEL_KR2975	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR2975	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR2975	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR2975	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR2975	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR2975	OCCN	C141435
PADEL_KR2975	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR2975	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR2975	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR2975	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR2975	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR2975	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR2975	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR2975	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR2975	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR2975	c1(CCCC)ccccc1	C104518
PADEL_KR2975	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR2975	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR2975	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR2975	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR2975	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR2975	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR2975	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR2975	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR2975	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2975	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR2975	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR2975	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR2975	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR2975	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR2975	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR2975	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR2975	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2975	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR2975	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2975	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR2975	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR2975	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR2975	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR2975	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR2975	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR2975	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR2975	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR2975	Nc1c(OC)cccc1	C90040
PADEL_KR2975	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR2975	Cc1ccccc1Cl	C95498
PADEL_KR2975	NC1CCCCC1	C108918
PADEL_KR2975	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR2975	O=S(=O)(OCC)OCC	C64675
PADEL_KR2975	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR2975	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR2975	O=S(=O)(OC)OC	C77781
PADEL_KR2975	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR2975	Oc1cc(C)c(C)cc1	C95658
PADEL_KR2975	Oc1c(cccc1C)C	C576261
PADEL_KR2975	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR2975	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR2975	CCOCCO	C110805
PADEL_KR2975	CCCCOCCO	C111762
PADEL_KR2975	c1cccc2Cc3ccccc3c12	C86737
PADEL_KR2975	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR2975	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR2975	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR2975	O=C=NCCCCCCN=C=O	C822060
PADEL_KR2975	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR2975	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR2975	OCCOCCOCCOCC	C112505
PADEL_KR2975	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR2975	ON=CC(C)(C)SC	C1646759
PADEL_KR2975	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR2975	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR2975	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR2975	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR2975	O(CCOC)CCOC	C111966
PADEL_KR2975	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR2975	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR2975	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR2975	Cc1ccc(Cl)cc1	C106434
PADEL_KR2975	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR2975	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR2975	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR2975	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR2975	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR2975	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR2975	C(CCCCCCCC)C	C124185
PADEL_KR2975	Nc1cc(C)ccc1N	C496720
PADEL_KR2975	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR2975	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR2975	OC(CCl)CCl	C96231
PADEL_KR2975	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR2975	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR2975	O(CCOC)CCO	C111773
PADEL_KR2975	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR2975	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR2975	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR2975	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR2975	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR2975	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR2975	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR2975	Oc1c(ccc(C)c1)C	C95874
PADEL_KR2975	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR2975	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR2975	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR2975	N(c1ccccc1)CC	C103695
PADEL_KR2975	O=C(O)C(CCCC)CC	C149575
PADEL_KR2975	C(=O)(N)NO	C127071
PADEL_KR2975	C(CC(C)C)OC(=O)C	C123922
PADEL_KR2975	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR2975	o1c(C)c(O)c(=O)cc1	C118718
PADEL_KR2975	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR2975	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR2975	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR2975	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR2975	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR2975	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR2975	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR2975	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR2975	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR2975	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR2975	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR2975	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR2975	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR2975	Nc1c(cccc1)C	C95534
PADEL_KR2975	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR2975	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR2975	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR2975	C(OCCOC)COCCOC	C112492
PADEL_KR2975	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR2975	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR2975	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR2975	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR2975	Nc1c(cccc1C)C	C87627
PADEL_KR2975	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR2975	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR2975	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR2975	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR2975	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR2975	CC(C)c1ccc(C)cc1	C99876
PADEL_KR2975	N#Cc1cnccc1	C100549
PADEL_KR2975	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR2975	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR2975	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR2975	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR2975	OCCC(C)CCC=C(C)C	C106229
PADEL_KR2975	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR2975	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR2975	OCCC(O)C	C107880
PADEL_KR2975	OC(CC(C)C)C	C108112
PADEL_KR2975	Nc1cccc(C)c1	C108441
PADEL_KR2975	Cc1cc(C)cc(C)c1	C108678
PADEL_KR2975	O=C(OC)CCCCCCC	C111115
PADEL_KR2975	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR2975	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR2975	OCCOCCCCCC	C112254
PADEL_KR2975	OCCCCCCCCCCC	C112425
PADEL_KR2975	OCCCCCCCCCCCC	C112538
PADEL_KR2975	OCCCCCCCCCCCCCC	C112721
PADEL_KR2975	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR2975	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR2975	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR2975	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR2975	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR2975	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR2975	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR2975	CCCCCCCCCCCCCCCC	C544763
PADEL_KR2975	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_KR2975	Nc1c(CC)cccc1CC	C579668
PADEL_KR2975	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR2975	O=C(C)OCCCCC	C628637
PADEL_KR2975	CCCCCCCCCCCCCCC	C629629
PADEL_KR2975	OCCCCCCCCCCCCCCC	C629765
PADEL_KR2975	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2975	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR2975	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR2975	Nc1cccc(C)c1N	C2687254
PADEL_KR2975	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR2975	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR2975	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR2975	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR2975	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR2975	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR2975	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR2975	OC(OC(O)CC)CC	C25265718
PADEL_KR2975	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR2975	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR2975	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR2975	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR2975	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR2975	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR2975	OC(OCCCOC)CC	C34590948
PADEL_KR2975	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR2975	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR2975	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR2975	O=C(OC)CC(=O)OC	C108598
PADEL_KR2975	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR2975	CCC12N(COC1)COC2	C7747355
PADEL_KR2975	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR2975	O=C(N)C(=C)C	C79390
PADEL_KR2975	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR2975	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2975	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR2975	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR2975	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR2975	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR2975	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR2975	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR2975	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR2975	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR2975	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR2975	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR2975	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR2975	O=Cc1ccccc1C=O	C643798
PADEL_KR2975	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR2975	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR2975	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR2975	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR2975	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR2975	O=c1n(C)sc(Cl)c1	C26172554
PADEL_KR2975	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR2975	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR2975	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR2975	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR2975	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR2975	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR2975	CCCCCCCCN(C)C	C7378996
PADEL_KR2975	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR2975	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR2975	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR2975	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR2975	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR2975	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR2975	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR2975	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR2975	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR2975	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR2975	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR2975	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR2975	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR2975	O=C(CCC)OCC	C105544
PADEL_KR2975	O=C(OCC)CCCCCC	C106309
PADEL_KR2975	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR2975	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR2975	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR2975	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR2975	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR2975	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR2975	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR2975	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR2975	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR2975	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR2975	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR2975	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR2975	O=C(CCC)OCCC(C)C	C106274
PADEL_KR2975	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR2975	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR2975	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR2975	CCCc1ccccc1	C103651
PADEL_KR2975	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR2975	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR2975	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR2975	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR2975	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR2975	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR2975	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR2975	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR2975	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR2975	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR2975	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR2975	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR2975	CC(C)(C)c1ccccc1	C98066
PADEL_KR2975	O=C(C)NC	C79163
PADEL_KR2975	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2975	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR2975	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2975	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR2975	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR2975	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR2975	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR2975	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR2975	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR2975	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR2975	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR2975	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR2975	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR2975	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR2975	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR2975	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR2975	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR2975	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR2975	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR2975	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR2975	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR2975	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR2975	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR2975	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2975	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR2975	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2975	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR2975	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR2975	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR2975	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR2975	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR2975	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR2975	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR2975	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR2975	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR2975	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR2975	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR2975	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR2975	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR2975	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR2975	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR2975	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR2975	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR2975	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR2975	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR2975	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2975	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR2975	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR2975	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR2975	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR2975	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR2975	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR2975	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR2975	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR2975	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR2975	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR2975	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR2975	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR2975	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR2975	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2975	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR2975	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR2975	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR2975	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR2975	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR2975	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR2975	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR2975	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR2975	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR2975	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR2975	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR2975	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR2975	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR2975	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR2975	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR2975	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2975	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR2975	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR2975	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR2975	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR2975	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR2975	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR2975	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR2975	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR2975	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR2975	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR2975	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2975	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR2975	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR2975	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2975	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR2975	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR2975	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR2975	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR2975	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR2975	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR2975	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR2975	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR2975	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2975	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR2975	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR2975	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR2975	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2975	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR2975	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR2975	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR2975	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR2975	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR2975	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR2975	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR2975	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR2975	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR2975	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2975	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR2975	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR2975	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR2975	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR2975	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR2975	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR2975	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR2975	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR2975	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR2975	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR2975	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR2975	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR2975	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR2975	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR2975	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR2975	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR2975	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR2975	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR2975	C=CCCCCCCCCCCCC	C1120361
PADEL_KR2975	C(=O)N	C75127
PADEL_KR2975	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2975	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR2975	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR2975	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR2975	N#CC(Br)Br	C3252435
PADEL_KR2975	OCCCBr	C627189
PADEL_KR2975	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR2975	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR2975	C(=O)(C)O	C64197
PADEL_KR2975	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR2975	C(CO)C(C)C	C123513
PADEL_KR2975	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2975	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR2975	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR2975	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2975	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR2975	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR2975	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR2975	NCCOCCOCCN	C929599
PADEL_KR2975	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR2975	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR2975	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR2975	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR2975	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR2975	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR2975	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR2975	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2975	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR2975	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR2975	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR2975	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2975	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR2975	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR2975	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR2975	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR2975	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR2975	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR2975	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR2975	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2975	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR2975	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR2975	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR2975	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR2975	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR2975	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR2975	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR2975	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR2975	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR2975	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR2975	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR2975	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR2975	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR2975	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR2975	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR2975	OCCC(OC)C	C2517433
PADEL_KR2975	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR2975	S=C(NCCCC)NCCCC	C109466
PADEL_KR2975	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR2975	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR2975	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR2975	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR2975	O=COCC	C109944
PADEL_KR2975	O=C(OCC)c1ccccc1	C93890
PADEL_KR2975	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR2975	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR2975	NCc1cccc(CN)c1	C1477550
PADEL_KR2975	O=CCCSC	C3268493
PADEL_KR2975	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_KR2975	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR2975	N(CCN(C)C)(C)C	C110189
PADEL_KR2975	CCN(CC)CC	C121448
PADEL_KR2975	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2975	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR2975	CC(=O)OCC	C141786
PADEL_KR2975	CC(=O)OCCCC	C123864
PADEL_KR2975	CC(=O)CCC(C)C	C110123
PADEL_KR2975	n1cc(C)ccc1	C108996
PADEL_KR2975	CC(=O)CC(C)C	C108101
PADEL_KR2975	NCCN	C107153
PADEL_KR2975	CC(C)C=O	C78842
PADEL_KR2975	CCCCCC=O	C66251
PADEL_KR2975	CCCC=O	C123728
PADEL_KR2975	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR2975	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2975	CCC1CO1	C106887
PADEL_KR2975	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR2975	CC1CC(=O)O1	C3068880
PADEL_KR2975	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR2975	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR2975	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2975	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR2975	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR2975	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR2975	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR2975	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR2975	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR2975	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR2975	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR2975	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR2975	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2975	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR2975	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR2975	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2975	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR2975	N#Cc1ccccc1	C100470
PADEL_KR2975	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR2975	O=C(CCl)CCl	C534076
PADEL_KR2975	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR2975	CC(=O)C(=O)O	C127173
PADEL_KR2975	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR2975	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR2975	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR2975	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR2975	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR2975	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR2975	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR2975	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR2975	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR2975	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR2975	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2975	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR2975	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR2975	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR2975	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2975	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR2975	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR2975	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2975	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR2975	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2975	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR2975	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR2975	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR2975	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR2975	Nc1ccc(OC)cc1	C104949
PADEL_KR2975	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR2975	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR2975	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR2975	O=CC=CC=CCCCCC	C25152845
PADEL_KR2975	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR2975	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR2975	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR2975	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR2975	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR2975	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR2975	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR2975	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR2975	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR2975	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR2975	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR2975	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR2975	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR2975	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR2975	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2975	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR2975	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR2975	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR2975	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_KR2975	OCC=C(C)C	C556821
PADEL_KR2975	ClC(=O)C(CC)CCCC	C760678
PADEL_KR2975	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR2975	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR2975	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR2975	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2975	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR2975	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR2975	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR2975	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR2975	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR2975	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR2975	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR2975	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR2975	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR2975	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR2975	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR2975	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR2975	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR2975	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR2975	O=c1cc(C)o[nH]1	C10004441
PADEL_KR2975	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR2975	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2975	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR2975	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR2975	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR2975	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR2975	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR2975	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR2975	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR2975	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2975	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR2975	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR2975	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR2975	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR2975	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR2975	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR2975	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2975	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR2975	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR2975	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR2975	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR2975	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR2975	O=CCCCCCCCCC=C	C112458
PADEL_KR2975	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR2975	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR2975	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR2975	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2975	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR2975	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR2975	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2975	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_KR2975	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR2975	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR2975	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR2975	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR2975	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR2975	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2975	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR2975	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR2975	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR2975	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR2975	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR2975	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR2975	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR2975	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR2975	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR2975	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR2975	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR2975	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR2975	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR2975	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR2975	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR2975	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR2975	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR2975	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR2975	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR2975	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR2975	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR2975	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR2975	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR2975	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR2975	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR2975	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR2975	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR2975	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR2975	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR2975	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR2975	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2975	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR2975	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR2975	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR2975	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR2975	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR2975	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR2975	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR2975	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR2975	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR2975	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR2975	N#CSCCCCCCCCCCCC	C765151
PADEL_KR2975	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR2975	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR2975	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR2975	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR2975	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR2975	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR2975	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR2975	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR2975	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR2975	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR2975	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR2975	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR2975	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR2975	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR2975	IC(=C(I)I)I	C513928
PADEL_KR2975	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR2975	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR2975	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR2975	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2975	O=CN1CCCCC1	C2591868
PADEL_KR2975	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR2975	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR2975	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR2975	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR2975	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR2975	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR2975	BrCCCCCCCCCCCC	C143157
PADEL_KR2975	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR2975	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR2975	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR2975	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR2975	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR2975	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2975	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR2975	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR2975	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR2975	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2975	N#C[Au-]C#N.[K+]	C13967505
PADEL_KR2975	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR2975	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR2975	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2975	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR2975	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR2975	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR2975	O=C(OCCCCO)C=C	C2478106
PADEL_KR2975	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR2975	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2975	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR2975	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR2975	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR2975	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR2975	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR2975	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2975	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR2975	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2975	NCCCOCCCCCCCC	C15930662
PADEL_KR2975	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2975	Nc1cccc(C)n1	C1824813
PADEL_KR2975	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR2975	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR2975	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR2975	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR2975	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR2975	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR2975	CC1COc2ccccc2N1	C32329207
PADEL_KR2975	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR2975	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR2975	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR2975	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR2975	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR2975	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR2975	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR2975	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR2975	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2975	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR2975	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR2975	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR2975	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2975	O=C/C=C/CCCCCCC	C3913813
PADEL_KR2975	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR2975	SC1CCCC1	C1679078
PADEL_KR2975	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR2975	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR2975	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR2975	S=C=NCCCSC	C505793
PADEL_KR2975	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR2975	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR2975	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR2975	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR2975	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR2975	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR2975	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR2975	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR2975	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR2975	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR2975	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR2975	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR2975	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR2975	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR2975	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR2975	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR2975	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2975	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR2975	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_KR2975	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR2975	CCCCCCCCCC(C)C=O	C110418
PADEL_KR2975	O=COCc1ccc(OC)cc1	C122918
PADEL_KR2975	CCCCCc1ccco1	C3777693
PADEL_KR2975	CCC(=O)C(=O)CC	C4437518
PADEL_KR2975	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR2975	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR2976	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR2976	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR2976	C(O)C#CCO	C110656
PADEL_KR2976	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2976	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR2976	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR2976	OC(CC(C)C)(C)C#C	C107540
PADEL_KR2976	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR2976	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR2976	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR2976	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR2976	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2976	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR2976	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR2976	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR2976	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR2976	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR2976	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR2976	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR2976	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR2976	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR2976	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR2977	C=CC#N	C107131
PADEL_KR2977	NC(=N)NC#N	C461585
PADEL_KR2977	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2977	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR2977	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR2977	N#CCC#N	C109773
PADEL_KR2977	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR2977	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR2977	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR2977	CC(=C)C#N	C126987
PADEL_KR2977	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR2977	C(C)(C)(O)C#N	C75865
PADEL_KR2977	N#CC(CCC#N)C	C4553622
PADEL_KR2977	N#CC(C)C	C78820
PADEL_KR2977	N#C[S-].[NH4+]	C1762954
PADEL_KR2977	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR2977	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2977	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR2977	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR2977	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR2977	N#Cc1c(O)cccc1	C611201
PADEL_KR2977	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR2977	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR2977	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR2977	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR2977	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2977	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR2977	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR2977	C(SC#N)SC#N	C6317186
PADEL_KR2977	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR2977	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR2977	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR2977	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2977	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR2977	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR2977	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR2977	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR2977	N#CN	C420042
PADEL_KR2977	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR2977	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR2977	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR2977	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR2977	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2977	N#CCCCCC#N	C111693
PADEL_KR2977	N#Cc1cnccc1	C100549
PADEL_KR2977	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR2977	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR2977	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR2977	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR2977	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR2977	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR2977	N#CC(Br)Br	C3252435
PADEL_KR2977	N#Cc1ccccc1	C100470
PADEL_KR2977	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR2977	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR2977	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR2977	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR2977	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_KR2977	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR2977	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR2977	N#CSCCCCCCCCCCCC	C765151
PADEL_KR2977	N#C[Au-]C#N.[K+]	C13967505
PADEL_KR2977	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR2977	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR2977	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2977	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR2979	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR2979	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR2979	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2979	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR2979	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR2979	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2979	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR2979	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR2979	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR2979	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR2979	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR2979	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_KR2979	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR2979	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR2979	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR2979	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR2979	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR2979	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR2979	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR2979	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR2979	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR2979	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR2979	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR2979	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR2979	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR2979	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2979	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR2979	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR2979	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR2979	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2979	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2979	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR2979	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR2979	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR2979	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR2979	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR2979	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR2979	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR2979	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR2979	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR2979	c1(Cc2ccccc2)ccccc1	C101815
PADEL_KR2979	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR2979	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2979	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR2979	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR2979	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR2979	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR2979	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR2979	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR2979	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR2979	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2979	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR2979	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR2979	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR2979	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR2979	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR2979	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR2979	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR2979	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR2979	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2979	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR2979	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR2979	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR2979	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR2979	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2979	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR2979	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR2979	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR2979	c1cccc2Cc3ccccc3c12	C86737
PADEL_KR2979	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR2979	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR2979	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR2979	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR2979	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR2979	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR2979	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR2979	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR2979	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2979	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR2979	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR2979	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR2979	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR2979	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR2979	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR2979	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR2979	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR2979	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR2979	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR2979	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR2979	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR2979	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2979	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2979	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR2979	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR2979	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR2979	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR2979	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR2979	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR2979	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR2979	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2979	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR2979	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR2979	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR2979	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR2979	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR2979	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR2979	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR2979	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR2979	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR2979	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR2979	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR2979	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR2979	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2979	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR2979	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR2979	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2979	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2979	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR2979	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR2979	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR2979	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR2979	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR2979	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR2981	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR2981	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR2981	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR2981	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR2981	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR2981	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2981	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR2981	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2981	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR2981	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR2981	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR2981	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR2983	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR2983	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR2983	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR2983	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR2983	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR2984	O=[N+](CC)[O-]	C79243
PADEL_KR2984	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR2984	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2984	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR2984	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR2984	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR2986	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR2986	C=CC#N	C107131
PADEL_KR2986	C=CCO	C107186
PADEL_KR2986	C=CCN=C=S	C57067
PADEL_KR2986	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR2986	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR2986	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR2986	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR2986	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR2986	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR2986	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR2986	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR2986	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR2986	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR2986	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR2986	C=CCc1ccc(cc1)OC	C140670
PADEL_KR2986	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR2986	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR2986	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR2986	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR2986	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR2986	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR2986	C=Cc1ccc(cc1)C	C622979
PADEL_KR2986	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR2986	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR2986	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR2986	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR2986	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR2986	C=CC(Cl)CCl	C760236
PADEL_KR2986	C=CC(=O)OCCO	C818611
PADEL_KR2986	CC/C=C\CCO	C928961
PADEL_KR2986	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR2986	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PADEL_KR2986	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR2986	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR2986	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR2986	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR2986	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR2986	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR2986	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR2986	Cl/C=C/Cl	C156605
PADEL_KR2986	CC(=C)C#N	C126987
PADEL_KR2986	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR2986	O=C(OCCCC)C=C	C141322
PADEL_KR2986	O=C/C=C/c1ccccc1	C14371109
PADEL_KR2986	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR2986	C=Cc1ccccc1C=C	C1321740
PADEL_KR2986	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR2986	CCC(=CCCC)C=O	C645625
PADEL_KR2986	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR2986	CC=C1CC2C=CC1C2	C16219753
PADEL_KR2986	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR2986	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR2986	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR2986	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR2986	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR2986	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR2986	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR2986	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR2986	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR2986	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR2986	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR2986	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR2986	C1=CC=CC1	C542927
PADEL_KR2986	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR2986	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR2986	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR2986	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR2986	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR2986	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR2986	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR2986	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR2986	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR2986	O=C(C=C(C)C)C	C141797
PADEL_KR2986	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR2986	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR2986	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR2986	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR2986	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR2986	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR2986	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR2986	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR2986	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR2986	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR2986	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR2986	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR2986	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR2986	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR2986	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR2986	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR2986	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR2986	OC(CCCCC)C=C	C3391864
PADEL_KR2986	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR2986	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR2986	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR2986	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR2986	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR2986	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR2986	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR2986	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR2986	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR2986	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR2986	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR2986	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR2986	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_KR2986	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_KR2986	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR2986	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR2986	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR2986	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR2986	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR2986	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR2986	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR2986	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR2986	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR2986	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR2986	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR2986	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR2986	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR2986	O=C/C=C/CCC	C6728263
PADEL_KR2986	O1C=CCCC1	C110872
PADEL_KR2986	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR2986	OCC=Cc1ccccc1	C104541
PADEL_KR2986	O=CCC/C=C\CCCCC	C21662099
PADEL_KR2986	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR2986	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR2986	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR2986	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR2986	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR2986	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR2986	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR2986	c12ccccc1CC=C2	C95136
PADEL_KR2986	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR2986	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR2986	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR2986	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR2986	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR2986	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR2986	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR2986	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR2986	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR2986	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR2986	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR2986	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR2986	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR2986	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR2986	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR2986	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR2986	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR2986	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR2986	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR2986	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR2986	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR2986	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR2986	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR2986	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR2986	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR2986	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR2986	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR2986	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR2986	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR2986	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR2986	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR2986	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR2986	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR2986	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR2986	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR2986	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR2986	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR2986	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR2986	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR2986	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR2986	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR2986	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR2986	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR2986	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR2986	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR2986	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR2986	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR2986	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR2986	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR2986	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR2986	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR2986	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR2986	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR2986	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR2986	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR2986	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR2986	NC(=O)C=C	C79061
PADEL_KR2986	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR2986	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR2986	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR2986	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR2986	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR2986	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR2986	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR2986	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR2986	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR2986	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR2986	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR2986	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR2986	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR2986	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR2986	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR2986	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR2986	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR2986	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR2986	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR2986	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR2986	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR2986	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR2986	OC(=O)C=CC=CC	C110441
PADEL_KR2986	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR2986	O=C1N(C=C)CCC1	C88120
PADEL_KR2986	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR2986	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR2986	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR2986	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR2986	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR2986	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR2986	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR2986	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR2986	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR2986	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR2986	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR2986	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR2986	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR2986	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR2986	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR2986	OCCC(C)CCC=C(C)C	C106229
PADEL_KR2986	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR2986	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR2986	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR2986	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR2986	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR2986	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR2986	O=C(N)C(=C)C	C79390
PADEL_KR2986	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR2986	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR2986	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR2986	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR2986	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR2986	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR2986	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR2986	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR2986	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR2986	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR2986	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR2986	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR2986	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR2986	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR2986	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR2986	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR2986	C=CCCCCCCCCCCCC	C1120361
PADEL_KR2986	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR2986	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR2986	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR2986	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR2986	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR2986	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR2986	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR2986	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR2986	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR2986	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR2986	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR2986	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR2986	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR2986	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR2986	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR2986	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR2986	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR2986	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR2986	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR2986	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR2986	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR2986	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR2986	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR2986	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR2986	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR2986	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR2986	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR2986	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR2986	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR2986	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR2986	O=CC=CC=CCCCCC	C25152845
PADEL_KR2986	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR2986	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR2986	OCC=C(C)C	C556821
PADEL_KR2986	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR2986	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR2986	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR2986	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR2986	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR2986	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR2986	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR2986	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR2986	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR2986	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR2986	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR2986	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR2986	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR2986	O=CCCCCCCCCC=C	C112458
PADEL_KR2986	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR2986	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR2986	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR2986	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR2986	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR2986	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR2986	IC(=C(I)I)I	C513928
PADEL_KR2986	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR2986	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR2986	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR2986	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR2986	O=C(OCCCCO)C=C	C2478106
PADEL_KR2986	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR2986	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR2986	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR2986	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR2986	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR2986	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR2986	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR2986	O=C/C=C/CCCCCCC	C3913813
PADEL_KR2986	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR2986	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR2986	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR2986	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR2986	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR2986	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR2986	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR2986	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR2986	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3000	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3008	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3008	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3008	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3008	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3008	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3008	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3008	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3008	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3008	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3008	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3008	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3008	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3010	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3010	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3010	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3010	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3010	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3010	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3010	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3010	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3010	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3010	C=CC(=O)OCCO	C818611
PADEL_KR3010	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3010	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3010	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3010	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3010	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3010	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3010	O=C(OCCCC)C=C	C141322
PADEL_KR3010	O=C/C=C/c1ccccc1	C14371109
PADEL_KR3010	CCC(=CCCC)C=O	C645625
PADEL_KR3010	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3010	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3010	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3010	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3010	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3010	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3010	O=C(C=C(C)C)C	C141797
PADEL_KR3010	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3010	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3010	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3010	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3010	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3010	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3010	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3010	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3010	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3010	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3010	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3010	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3010	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3010	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3010	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3010	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3010	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3010	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3010	O=C/C=C/CCC	C6728263
PADEL_KR3010	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3010	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3010	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3010	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3010	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3010	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3010	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3010	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3010	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3010	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3010	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3010	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3010	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3010	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3010	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3010	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3010	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3010	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3010	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3010	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3010	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3010	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3010	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3010	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3010	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3010	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3010	NC(=O)C=C	C79061
PADEL_KR3010	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3010	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3010	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3010	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3010	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3010	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3010	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3010	OC(=O)C=CC=CC	C110441
PADEL_KR3010	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3010	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3010	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3010	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3010	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3010	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3010	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3010	O=C(N)C(=C)C	C79390
PADEL_KR3010	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3010	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3010	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3010	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3010	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3010	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3010	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3010	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3010	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3010	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3010	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3010	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3010	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3010	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3010	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3010	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3010	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3010	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3010	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3010	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3010	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3010	O=CC=CC=CCCCCC	C25152845
PADEL_KR3010	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3010	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3010	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3010	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3010	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3010	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3010	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3010	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3010	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3010	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3010	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3010	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3010	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3010	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3010	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3010	O=C(OCCCCO)C=C	C2478106
PADEL_KR3010	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3010	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3010	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3010	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3010	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3010	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3010	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3010	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3010	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3010	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3012	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3012	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3012	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3012	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3012	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3012	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3012	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3013	C=CCN=C=S	C57067
PADEL_KR3013	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3013	NC(=N)NC#N	C461585
PADEL_KR3013	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3013	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3013	ON=C1CCCCC1	C100641
PADEL_KR3013	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3013	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3013	ON=CCCC	C110690
PADEL_KR3013	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3013	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3013	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3013	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3013	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3013	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3013	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3013	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3013	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3013	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3013	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3013	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3013	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3013	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3013	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3013	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3013	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3013	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR3013	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3013	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3013	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3013	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3013	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3013	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3013	S=C=NC	C556616
PADEL_KR3013	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3013	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3013	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3013	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3013	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3013	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3013	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3013	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3013	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3013	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3013	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3013	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3013	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3013	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3013	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR3013	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3013	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3013	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3013	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3013	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3013	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3013	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3013	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3013	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3013	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3013	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3013	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3013	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3013	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3013	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3013	CCC(=NO)C	C96297
PADEL_KR3013	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3013	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3013	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3013	ON=CC(C)(C)SC	C1646759
PADEL_KR3013	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR3013	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR3013	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3013	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3013	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3013	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3013	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3013	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3013	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3013	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3013	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3013	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3013	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR3013	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3013	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3013	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR3013	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3013	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3013	S=C=NCCCSC	C505793
PADEL_KR3013	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3015	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3015	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3016	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3018	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3022	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3022	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3022	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3022	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3022	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3022	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3022	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3022	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3022	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3024	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3024	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3024	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3024	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3024	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3024	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3025	CC(=O)N	C60355
PADEL_KR3025	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3025	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3025	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3025	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3025	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3025	CC(=O)OCc1ccccc1	C140114
PADEL_KR3025	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3025	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3025	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3025	O=CCCl	C107200
PADEL_KR3025	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3025	O=C1CCCCC1	C108941
PADEL_KR3025	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3025	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3025	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3025	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3025	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3025	CN(C)C(=O)C	C127195
PADEL_KR3025	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3025	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3025	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3025	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3025	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3025	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3025	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3025	NC(=O)OC	C598550
PADEL_KR3025	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3025	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3025	NC(=O)c1cccnc1	C98920
PADEL_KR3025	OC(=O)c1cccnc1	C59676
PADEL_KR3025	CN(C(=O)N)N=O	C684935
PADEL_KR3025	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3025	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3025	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3025	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR3025	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3025	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3025	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR3025	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3025	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3025	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3025	O=CCc1ccccc1	C122781
PADEL_KR3025	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3025	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3025	CCCCCCCCCC=O	C112312
PADEL_KR3025	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3025	O=CCCCCCC	C111717
PADEL_KR3025	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3025	CCCCCCCCC=O	C124196
PADEL_KR3025	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3025	OC(=O)CCCC	C109524
PADEL_KR3025	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3025	c1(O)ccccc1C(=O)N	C65452
PADEL_KR3025	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3025	O=Cc1ccccc1O	C90028
PADEL_KR3025	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3025	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3025	CCCC(=O)C	C107879
PADEL_KR3025	CCCCCC(=O)C	C110430
PADEL_KR3025	CCCCCCCCCC(=O)C	C112129
PADEL_KR3025	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR3025	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3025	CCCCCC(=O)OCC	C123660
PADEL_KR3025	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR3025	O=C(OC(C)(C)C)C	C540885
PADEL_KR3025	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3025	C=CC(=O)OCCO	C818611
PADEL_KR3025	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3025	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3025	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3025	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3025	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR3025	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR3025	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3025	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3025	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR3025	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3025	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3025	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3025	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3025	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR3025	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3025	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3025	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3025	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3025	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3025	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3025	C(=O)(O)C(C)O	C50215
PADEL_KR3025	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3025	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3025	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3025	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3025	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3025	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3025	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3025	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3025	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3025	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3025	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3025	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3025	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3025	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3025	[Na+].[O-]C(=O)CF	C62748
PADEL_KR3025	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3025	O=C(N)N=NC(=O)N	C123773
PADEL_KR3025	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR3025	O=C(OCCCC)C=C	C141322
PADEL_KR3025	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3025	O=C/C=C/c1ccccc1	C14371109
PADEL_KR3025	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3025	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3025	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3025	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3025	OCNC(=O)NCO	C140954
PADEL_KR3025	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3025	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR3025	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3025	C(CC)(C=O)CCCC	C123057
PADEL_KR3025	CCC(=CCCC)C=O	C645625
PADEL_KR3025	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3025	O=CCCCC=O	C111308
PADEL_KR3025	C(=O)(O)CO	C79141
PADEL_KR3025	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3025	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3025	O(C(C)C)C(=O)C	C108214
PADEL_KR3025	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3025	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3025	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3025	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3025	C(=O)(O)C(=O)O	C144627
PADEL_KR3025	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3025	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR3025	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3025	O=C(O)CS	C68111
PADEL_KR3025	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3025	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3025	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3025	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR3025	O=C(O)c1ccccc1O	C69727
PADEL_KR3025	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3025	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3025	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3025	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3025	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR3025	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3025	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR3025	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR3025	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3025	O=C1OCC(C)O1	C108327
PADEL_KR3025	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3025	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3025	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3025	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3025	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3025	O=C(C)OCCOCCCC	C112072
PADEL_KR3025	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3025	O=Cc1ccc(OC)cc1	C123115
PADEL_KR3025	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3025	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3025	O=C1NCCC1	C616455
PADEL_KR3025	O=COC(C)C	C625558
PADEL_KR3025	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR3025	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3025	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3025	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3025	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3025	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3025	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3025	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3025	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3025	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3025	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3025	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3025	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3025	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3025	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3025	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3025	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3025	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3025	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3025	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3025	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3025	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3025	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3025	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR3025	O=C1CCCC1	C120923
PADEL_KR3025	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3025	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3025	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3025	O=C(C=C(C)C)C	C141797
PADEL_KR3025	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3025	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3025	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3025	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3025	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3025	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3025	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3025	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3025	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3025	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3025	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3025	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3025	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3025	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3025	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3025	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3025	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3025	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3025	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3025	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3025	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3025	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3025	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3025	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3025	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3025	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3025	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3025	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3025	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3025	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3025	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3025	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3025	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3025	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3025	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3025	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3025	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3025	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3025	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3025	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3025	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR3025	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3025	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3025	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3025	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3025	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3025	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3025	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3025	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3025	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3025	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR3025	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3025	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3025	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3025	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3025	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3025	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3025	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3025	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3025	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3025	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR3025	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3025	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3025	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3025	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3025	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3025	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3025	O=C(CC)OCC	C105373
PADEL_KR3025	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3025	O=C(c1ccccc1O)C	C118934
PADEL_KR3025	O=C1OCC(CC)O1	C4437858
PADEL_KR3025	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3025	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3025	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3025	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3025	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3025	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3025	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3025	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3025	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3025	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3025	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR3025	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3025	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3025	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3025	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3025	O=C1CCC(O1)CC	C695067
PADEL_KR3025	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3025	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3025	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR3025	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3025	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3025	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3025	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3025	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3025	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3025	O=C/C=C/CCC	C6728263
PADEL_KR3025	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3025	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3025	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3025	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR3025	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3025	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3025	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3025	O=C(CCC)OCCCCC	C540181
PADEL_KR3025	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3025	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3025	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3025	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR3025	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3025	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3025	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3025	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3025	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3025	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3025	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3025	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR3025	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3025	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3025	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3025	O=C(CC)CCCCC	C106683
PADEL_KR3025	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3025	O=C(CF)O	C144490
PADEL_KR3025	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3025	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3025	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3025	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3025	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3025	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3025	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR3025	OC(C)C(=O)OCCCC	C138227
PADEL_KR3025	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3025	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3025	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3025	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3025	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3025	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3025	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR3025	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3025	O=C(N)Nc1ccccc1	C64108
PADEL_KR3025	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3025	O=C(C)OCCCCCCCC	C112141
PADEL_KR3025	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3025	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3025	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR3025	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3025	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3025	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3025	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3025	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR3025	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3025	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3025	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3025	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3025	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3025	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3025	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3025	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3025	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3025	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR3025	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3025	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3025	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3025	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3025	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3025	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3025	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3025	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3025	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR3025	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3025	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3025	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3025	O=C1OC(CCC)CC1	C105215
PADEL_KR3025	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3025	C=O	C50000
PADEL_KR3025	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR3025	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR3025	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3025	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3025	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3025	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3025	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3025	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3025	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3025	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3025	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3025	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3025	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3025	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3025	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3025	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR3025	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3025	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR3025	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3025	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3025	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3025	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3025	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3025	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3025	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3025	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3025	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3025	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3025	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3025	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3025	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3025	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3025	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3025	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3025	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3025	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3025	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR3025	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3025	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3025	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3025	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3025	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3025	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3025	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3025	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3025	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3025	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3025	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR3025	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3025	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3025	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3025	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3025	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3025	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3025	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3025	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3025	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3025	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3025	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3025	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3025	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3025	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3025	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3025	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3025	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3025	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3025	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3025	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3025	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3025	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3025	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3025	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3025	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3025	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3025	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3025	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3025	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3025	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3025	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3025	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3025	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3025	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3025	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3025	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3025	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR3025	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3025	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3025	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3025	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3025	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3025	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3025	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3025	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3025	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3025	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3025	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3025	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3025	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3025	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3025	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3025	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR3025	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3025	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3025	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3025	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3025	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3025	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3025	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3025	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3025	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3025	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3025	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3025	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3025	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3025	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3025	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3025	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3025	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3025	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3025	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3025	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3025	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3025	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3025	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3025	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3025	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR3025	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3025	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3025	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3025	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3025	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3025	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3025	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3025	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3025	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3025	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3025	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3025	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3025	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR3025	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3025	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3025	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3025	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3025	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3025	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3025	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3025	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3025	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3025	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3025	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR3025	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3025	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3025	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3025	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3025	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3025	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3025	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3025	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3025	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3025	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3025	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3025	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3025	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3025	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3025	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3025	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3025	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3025	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3025	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3025	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR3025	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3025	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3025	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3025	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3025	NC(=O)C=C	C79061
PADEL_KR3025	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR3025	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3025	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3025	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR3025	OC(=O)c1ccccc1	C65850
PADEL_KR3025	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3025	O=C1CCCO1	C96480
PADEL_KR3025	O=C1CCCCCN1	C105602
PADEL_KR3025	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3025	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3025	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3025	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3025	O=C(c1ccccc1)CCl	C532274
PADEL_KR3025	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3025	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3025	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3025	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3025	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3025	OC(=O)C(Cl)Cl	C79436
PADEL_KR3025	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3025	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3025	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3025	O=C(N(C)C)Cl	C79447
PADEL_KR3025	CN(C=O)C	C68122
PADEL_KR3025	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3025	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3025	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3025	O=Cc1ccco1	C98011
PADEL_KR3025	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3025	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3025	O=C(c1ccncc1)NN	C54853
PADEL_KR3025	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3025	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3025	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3025	O=C1N(CCC1)C	C872504
PADEL_KR3025	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3025	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR3025	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3025	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3025	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR3025	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3025	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3025	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3025	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3025	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR3025	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3025	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3025	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3025	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3025	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3025	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR3025	OC(=O)C=CC=CC	C110441
PADEL_KR3025	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3025	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3025	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3025	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3025	C(=O)(N)N	C57136
PADEL_KR3025	NC(=O)OCC	C51796
PADEL_KR3025	O=C1N(C=C)CCC1	C88120
PADEL_KR3025	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR3025	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR3025	OC(=O)CCC	C107926
PADEL_KR3025	CCCCCCCCCC(=O)O	C334485
PADEL_KR3025	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3025	O=C(O)CCCCCC	C111148
PADEL_KR3025	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3025	CCCCCC(=O)O	C142621
PADEL_KR3025	CCCCCCCCC(=O)O	C112050
PADEL_KR3025	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3025	CCCCCCCC=O	C124130
PADEL_KR3025	CCCCCCCC(=O)O	C124072
PADEL_KR3025	CCCCC=O	C110623
PADEL_KR3025	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3025	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3025	c1ccccc1C(=O)C	C98862
PADEL_KR3025	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3025	CC(=O)OCCOCC	C111159
PADEL_KR3025	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3025	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR3025	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR3025	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR3025	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3025	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3025	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3025	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3025	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR3025	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3025	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR3025	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3025	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3025	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3025	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3025	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3025	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3025	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3025	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3025	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3025	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3025	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3025	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3025	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3025	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3025	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3025	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3025	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3025	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR3025	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR3025	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3025	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3025	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3025	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3025	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3025	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3025	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3025	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3025	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3025	O=C(O)C(CCCC)CC	C149575
PADEL_KR3025	C(=O)(N)NO	C127071
PADEL_KR3025	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3025	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR3025	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3025	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR3025	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3025	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3025	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR3025	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3025	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3025	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3025	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3025	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3025	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3025	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3025	O=C(OC)CCCCCCC	C111115
PADEL_KR3025	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3025	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3025	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3025	O=C(C)OCCCCC	C628637
PADEL_KR3025	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3025	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3025	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3025	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3025	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3025	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3025	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3025	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3025	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3025	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3025	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3025	O=C(OC)CC(=O)OC	C108598
PADEL_KR3025	O=C(N)C(=C)C	C79390
PADEL_KR3025	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3025	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3025	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3025	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3025	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3025	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3025	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3025	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3025	O=Cc1ccccc1C=O	C643798
PADEL_KR3025	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3025	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3025	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3025	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3025	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3025	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3025	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3025	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3025	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3025	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3025	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3025	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3025	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR3025	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR3025	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3025	O=C(CCC)OCC	C105544
PADEL_KR3025	O=C(OCC)CCCCCC	C106309
PADEL_KR3025	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3025	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3025	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3025	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3025	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3025	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR3025	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3025	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3025	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3025	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3025	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3025	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR3025	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3025	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3025	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3025	O=C(C)NC	C79163
PADEL_KR3025	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3025	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3025	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3025	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3025	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3025	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3025	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3025	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3025	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3025	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3025	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3025	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3025	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3025	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3025	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3025	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3025	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3025	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3025	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3025	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3025	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3025	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3025	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3025	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3025	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3025	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3025	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3025	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3025	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3025	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3025	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3025	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3025	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3025	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3025	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3025	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3025	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3025	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3025	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3025	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3025	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3025	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3025	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3025	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3025	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3025	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3025	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3025	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3025	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3025	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3025	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3025	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3025	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3025	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3025	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3025	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3025	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3025	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3025	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3025	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3025	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3025	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3025	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3025	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3025	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3025	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3025	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3025	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3025	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3025	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3025	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3025	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3025	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3025	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3025	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3025	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3025	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3025	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3025	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR3025	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3025	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3025	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3025	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3025	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3025	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3025	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3025	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3025	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR3025	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3025	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3025	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3025	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3025	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3025	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3025	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3025	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3025	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3025	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3025	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3025	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3025	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3025	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3025	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3025	C(=O)N	C75127
PADEL_KR3025	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3025	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3025	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3025	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3025	C(=O)(C)O	C64197
PADEL_KR3025	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3025	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3025	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3025	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3025	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3025	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3025	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3025	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3025	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3025	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3025	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3025	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3025	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3025	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3025	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR3025	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3025	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3025	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3025	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3025	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3025	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3025	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3025	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3025	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3025	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3025	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3025	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3025	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3025	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3025	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3025	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3025	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3025	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3025	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3025	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3025	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3025	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3025	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3025	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3025	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3025	O=COCC	C109944
PADEL_KR3025	O=C(OCC)c1ccccc1	C93890
PADEL_KR3025	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR3025	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3025	O=CCCSC	C3268493
PADEL_KR3025	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3025	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3025	CC(=O)OCC	C141786
PADEL_KR3025	CC(=O)OCCCC	C123864
PADEL_KR3025	CC(=O)CCC(C)C	C110123
PADEL_KR3025	CC(=O)CC(C)C	C108101
PADEL_KR3025	CC(C)C=O	C78842
PADEL_KR3025	CCCCCC=O	C66251
PADEL_KR3025	CCCC=O	C123728
PADEL_KR3025	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3025	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3025	CC1CC(=O)O1	C3068880
PADEL_KR3025	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3025	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3025	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3025	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3025	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3025	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3025	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR3025	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3025	O=C(CCl)CCl	C534076
PADEL_KR3025	CC(=O)C(=O)O	C127173
PADEL_KR3025	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3025	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR3025	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR3025	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3025	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3025	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3025	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3025	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR3025	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3025	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR3025	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3025	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3025	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3025	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3025	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR3025	O=CC=CC=CCCCCC	C25152845
PADEL_KR3025	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3025	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3025	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR3025	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR3025	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3025	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3025	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3025	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3025	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR3025	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3025	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR3025	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3025	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3025	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3025	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3025	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3025	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3025	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3025	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3025	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3025	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3025	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3025	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3025	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3025	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3025	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3025	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3025	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3025	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3025	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3025	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3025	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3025	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3025	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR3025	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3025	O=CCCCCCCCCC=C	C112458
PADEL_KR3025	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3025	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3025	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3025	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3025	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3025	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3025	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3025	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3025	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR3025	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3025	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3025	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3025	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3025	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3025	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3025	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3025	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3025	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3025	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3025	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3025	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR3025	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3025	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3025	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3025	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3025	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3025	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3025	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3025	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR3025	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3025	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3025	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3025	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3025	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3025	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3025	O=CN1CCCCC1	C2591868
PADEL_KR3025	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3025	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3025	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3025	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3025	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3025	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3025	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3025	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3025	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR3025	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3025	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3025	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3025	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3025	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3025	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3025	O=C(OCCCCO)C=C	C2478106
PADEL_KR3025	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3025	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3025	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3025	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3025	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3025	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3025	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3025	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3025	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3025	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3025	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3025	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3025	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR3025	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR3025	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3025	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3025	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3025	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3025	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3025	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3025	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3025	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3025	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3025	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3025	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3025	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3025	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3025	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3025	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3025	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3025	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR3025	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3025	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3025	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3025	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3025	O=COCc1ccc(OC)cc1	C122918
PADEL_KR3025	CCC(=O)C(=O)CC	C4437518
PADEL_KR3025	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3034	n1c[nH]cc1	C288324
PADEL_KR3034	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_KR3034	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR3034	[nH]1c(=S)n(cc1)C	C60560
PADEL_KR3034	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR3034	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR3034	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3034	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3034	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3034	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3034	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR3043	c1cccc2Cc3ccccc3c12	C86737
PADEL_KR3043	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR3043	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3043	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR3043	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR3045	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3045	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3049	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3049	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3049	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3049	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3049	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3049	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3049	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3049	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3049	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3049	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3049	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3054	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3054	c1cccc2[nH]ccc12	C120729
PADEL_KR3054	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3054	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR3054	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3054	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3054	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3054	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3054	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3054	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR3054	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3056	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3057	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3057	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3058	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3058	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3058	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3058	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3058	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3058	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3058	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3058	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3058	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3058	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3058	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3058	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3058	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3058	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3058	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3058	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3058	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3058	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3058	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3058	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3058	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3058	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3058	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3058	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3058	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3058	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3062	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3066	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3069	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3070	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3070	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3070	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3070	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3070	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3070	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3070	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3070	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3070	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3070	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3070	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3070	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3070	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3070	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3070	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3074	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3074	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3074	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3074	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3074	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3074	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3074	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3074	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3074	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3074	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3074	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3074	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3074	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3076	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3076	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3076	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3077	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR3077	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3078	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3078	c1cccc2[nH]ccc12	C120729
PADEL_KR3078	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3078	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3078	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3078	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3078	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3078	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR3078	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3081	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3082	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3082	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3082	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3082	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3082	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3082	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3082	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3082	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3082	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3082	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3084	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3084	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3085	c1coc2c1cccc2	C271896
PADEL_KR3085	c1cccc2c3ccccc3oc12	C132649
PADEL_KR3085	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3085	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3085	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3085	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3085	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3085	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR3086	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3086	c12ccccc1c1c(cccc1)s2	C132650
PADEL_KR3086	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3088	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3096	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR3096	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR3096	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3096	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR3096	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3096	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR3096	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR3096	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3096	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR3096	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3096	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3096	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3097	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR3104	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3104	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3104	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3104	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3104	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3104	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3104	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3104	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3104	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3104	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3104	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3104	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3104	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3104	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3105	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3115	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3116	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR3119	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR3119	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3120	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3120	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3120	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3120	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3120	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3120	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3120	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3120	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3120	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3120	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3120	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3120	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3120	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3120	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3120	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3120	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3120	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3120	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3120	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3120	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3120	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3120	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3120	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3120	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3120	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3120	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3120	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3120	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3120	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3120	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3120	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3120	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3120	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3120	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3120	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3120	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3120	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3120	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3120	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3120	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3120	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3120	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3120	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3120	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3120	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3120	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3120	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3120	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3120	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3120	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3120	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3120	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3120	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3120	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3120	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3120	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3120	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3120	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3120	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3120	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3120	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3120	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3120	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3120	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3120	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3120	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3120	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3120	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3120	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3120	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3120	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3120	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3120	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3120	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3120	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3120	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3120	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3120	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3120	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3120	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3120	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3120	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3120	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3121	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3121	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3121	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3121	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3121	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3121	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3122	[nH]1c2c(cccc2)nn1	C95147
PADEL_KR3122	Cc1cccc2nn[nH]c12	C29385431
PADEL_KR3131	c1cccc2c3ccccc3oc12	C132649
PADEL_KR3137	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_KR3137	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR3137	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR3137	c1ccc2cc3ccccc3cc2c1	C120127
PADEL_KR3137	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR3137	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR3139	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PADEL_KR3139	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3139	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR3139	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR3139	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR3139	Oc1cccc2ccccc12	C90153
PADEL_KR3139	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PADEL_KR3139	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR3139	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR3139	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR3139	Oc1ccc2ccccc2c1	C135193
PADEL_KR3139	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3139	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR3139	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR3139	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR3139	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR3139	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3139	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3139	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR3139	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3139	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR3139	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3139	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR3139	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR3139	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3139	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3139	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR3139	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR3139	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3139	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3139	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR3139	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR3139	c1c2c(ccc1)cccc2	C91203
PADEL_KR3139	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_KR3139	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR3139	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR3139	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3139	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR3139	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR3139	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR3139	c1ccc2cc3ccccc3cc2c1	C120127
PADEL_KR3139	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PADEL_KR3139	c1cccc2c1c1cccc3cccc2c13	C206440
PADEL_KR3139	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PADEL_KR3139	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PADEL_KR3139	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR3139	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR3139	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3139	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3139	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR3139	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3139	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR3139	c12ccccc1ccc1c2cccn1	C85029
PADEL_KR3139	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR3139	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR3139	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR3139	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR3139	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR3139	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3139	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3139	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR3139	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3143	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR3143	c12ncccc1ccc1c2nccc1	C66717
PADEL_KR3143	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3143	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3143	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3143	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3143	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR3143	Oc1cccc2cccnc12	C148243
PADEL_KR3143	Cc1cc2cccnc2cc1	C91623
PADEL_KR3143	n1cccc2c1cccc2	C91225
PADEL_KR3143	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3143	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3143	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3143	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR3143	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR3143	c12ccccc1ccc1c2cccn1	C85029
PADEL_KR3143	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_KR3144	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3144	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR3144	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3144	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3144	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR3145	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3146	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3149	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3149	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3149	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3149	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3149	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3149	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3149	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3149	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3149	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3149	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3149	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3149	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3149	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3149	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3149	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3149	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3149	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3149	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3149	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3149	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3149	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3149	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3149	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3149	O=C1CCCC1	C120923
PADEL_KR3149	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3149	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3149	OC1CCCC1	C96413
PADEL_KR3149	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3149	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3149	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3149	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3149	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3149	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3149	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3149	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3149	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3149	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3149	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3149	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3149	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3149	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3149	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3149	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3149	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3149	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3149	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3149	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3149	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3149	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3149	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3149	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3149	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3149	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3149	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3149	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3149	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3149	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3149	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3149	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3149	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3149	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3149	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3149	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3149	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3149	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3149	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3149	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3149	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3149	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3149	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3149	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3149	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3149	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3149	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3149	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3149	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3149	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3149	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3149	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3149	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3149	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3149	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3149	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3149	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3149	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3149	SC1CCCC1	C1679078
PADEL_KR3149	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3150	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3150	O=C1CCCCC1	C108941
PADEL_KR3150	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3150	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3150	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3150	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3150	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3150	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3150	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3150	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3150	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3150	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3150	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3150	ON=C1CCCCC1	C100641
PADEL_KR3150	C1CCCCC1O	C108930
PADEL_KR3150	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3150	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3150	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3150	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3150	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3150	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3150	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3150	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3150	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3150	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3150	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3150	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3150	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3150	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3150	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3150	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3150	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3150	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3150	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3150	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3150	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3150	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3150	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3150	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3150	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3150	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3150	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3150	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3150	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3150	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3150	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3150	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3150	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3150	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3150	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3150	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3150	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3150	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3150	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3150	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3150	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3150	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3150	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3150	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3150	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3150	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3150	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3150	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3150	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3150	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3150	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3150	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3150	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3150	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3150	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3150	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3150	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3150	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3150	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3150	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3150	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3150	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3150	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3150	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3150	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3150	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3150	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3150	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3150	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3150	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3150	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3150	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3150	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3150	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3150	NC1CCCCC1	C108918
PADEL_KR3150	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3150	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3150	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3150	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3150	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3150	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3150	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3150	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3150	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3150	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3150	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3150	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3150	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3150	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3150	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3150	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3150	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3150	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3150	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3150	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3150	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3150	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3150	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3150	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3150	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3150	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3150	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3150	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3150	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3150	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3150	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3150	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3150	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3150	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3150	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3150	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3150	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3150	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3150	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3150	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3151	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3151	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3151	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3151	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3151	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3151	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3152	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3152	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3152	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3152	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3152	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3152	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3152	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3152	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3152	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3153	N1CCCCCC1	C111499
PADEL_KR3153	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3153	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3153	O=C1CCCCCN1	C105602
PADEL_KR3153	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3153	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3153	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3153	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3153	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3156	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3156	O=NN1CCCC1	C930552
PADEL_KR3156	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3156	O=C1NCCC1	C616455
PADEL_KR3156	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3156	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3156	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3156	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3156	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3156	O=C1N(CCC1)C	C872504
PADEL_KR3156	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3156	O=C1N(C=C)CCC1	C88120
PADEL_KR3156	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3156	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3156	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3156	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3156	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3156	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3156	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3156	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3156	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3156	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3157	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3157	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3157	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3157	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3157	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3157	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3157	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3157	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3157	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3157	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3157	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3157	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3157	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3157	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3157	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3157	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3157	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3157	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3157	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3157	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3157	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3157	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3157	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3157	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3157	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3157	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3157	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3157	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3157	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3157	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3157	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3157	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3157	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3157	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3157	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3157	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3157	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3157	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3157	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3157	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3157	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3157	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3157	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3157	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3157	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3157	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3157	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3157	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3157	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3157	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3157	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3157	O=CN1CCCCC1	C2591868
PADEL_KR3157	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3158	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3158	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_KR3158	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR3158	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3158	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3158	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR3159	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3159	c1c(CO)occ1	C98000
PADEL_KR3159	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR3159	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3159	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3159	c1coc2c1cccc2	C271896
PADEL_KR3159	O=Cc1ccco1	C98011
PADEL_KR3159	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3159	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3159	c1cccc2c3ccccc3oc12	C132649
PADEL_KR3159	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3159	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3159	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3159	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3159	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3159	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3159	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3159	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3159	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3159	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3159	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3159	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR3159	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR3159	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3159	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3159	CCCCCc1ccco1	C3777693
PADEL_KR3160	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3160	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3160	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3160	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3160	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3160	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3160	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3160	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3160	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3160	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3160	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3160	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3160	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3160	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3160	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3160	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3160	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3160	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3160	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3160	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3160	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3160	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3160	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3160	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3160	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3160	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3160	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3160	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3160	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3160	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3161	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3161	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3161	c12ccccc1c1c(cccc1)s2	C132650
PADEL_KR3161	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3161	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3161	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3161	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3161	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3161	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3161	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3161	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3161	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3161	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PADEL_KR3161	c1(SSc2cccs2)cccs1	C6911519
PADEL_KR3163	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3163	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3163	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3163	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3163	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3164	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3165	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3165	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3169	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR3169	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR3171	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3171	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3171	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3171	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3177	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3177	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3177	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3179	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3179	OCCN1CCNCC1	C103764
PADEL_KR3179	NCCN1CCNCC1	C140318
PADEL_KR3179	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3179	C1CNCCN1	C110850
PADEL_KR3179	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3179	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3179	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3179	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3179	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3179	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3179	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3179	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3179	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3179	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3179	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3179	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3179	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3179	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3179	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3180	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3180	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR3180	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR3180	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3180	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR3180	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR3180	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR3180	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3180	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR3180	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3180	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR3180	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3180	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3180	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3180	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR3180	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3180	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3180	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3180	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3180	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR3180	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR3180	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR3180	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3180	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR3180	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3180	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_KR3180	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3180	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR3180	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3180	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR3180	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR3180	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR3180	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR3180	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3180	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3180	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3180	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3180	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR3180	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3180	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3180	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR3180	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR3180	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3180	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3180	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3180	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3180	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR3180	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3180	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3180	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3180	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3180	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR3180	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3180	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3180	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3180	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3180	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3180	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3180	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3180	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3180	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3180	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3180	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3180	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_KR3180	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3180	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3180	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR3181	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3181	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR3181	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR3181	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR3181	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3181	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR3182	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3182	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3182	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3182	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3182	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3182	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3182	O=c1cc(C)o[nH]1	C10004441
PADEL_KR3183	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3184	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3185	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3185	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3185	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3188	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3190	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3190	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3191	C1COCCN1	C110918
PADEL_KR3191	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3191	CN1CCOCC1	C109024
PADEL_KR3191	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3191	NCCCN1CCOCC1	C123002
PADEL_KR3191	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3191	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3191	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3191	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3191	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3191	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3191	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3191	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3191	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3191	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3195	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3195	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3195	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3195	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR3195	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3195	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR3195	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3195	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3195	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3195	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3196	O=C1OCC(C)O1	C108327
PADEL_KR3196	O=C1OCC(CC)O1	C4437858
PADEL_KR3196	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3196	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3196	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3196	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3197	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3200	c1ccc2ncsc2c1	C95169
PADEL_KR3200	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR3200	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_KR3200	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR3200	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR3200	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3200	Sc1nc2c(cccc2)s1	C149304
PADEL_KR3200	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3200	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3200	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3200	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3200	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3200	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR3200	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR3200	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR3200	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3203	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3203	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR3203	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR3205	c1(nc[nH]n1)N	C61825
PADEL_KR3205	[nH]1ncnc1	C288880
PADEL_KR3206	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PADEL_KR3206	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3206	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3206	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3206	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PADEL_KR3207	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3207	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3207	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3207	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3207	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3207	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3208	c1ccc2ncsc2c1	C95169
PADEL_KR3208	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR3208	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR3208	Sc1nc2c(cccc2)s1	C149304
PADEL_KR3208	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3210	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR3212	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR3213	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR3213	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR3215	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3215	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3215	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_KR3215	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_KR3215	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_KR3215	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR3215	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_KR3215	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3215	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3215	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR3215	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR3215	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3215	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3215	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3215	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3215	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3215	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3215	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3215	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3215	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_KR3215	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3215	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3215	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3215	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3215	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3215	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3215	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3215	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3215	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3215	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3215	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3215	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3215	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR3215	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3215	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3217	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3218	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3218	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3219	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR3219	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3219	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3219	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3220	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3222	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3222	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3222	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR3222	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3222	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3222	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3222	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3222	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3222	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3222	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3222	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3223	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3223	BrCCBr	C106934
PADEL_KR3223	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR3223	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3223	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3223	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR3223	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3223	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3223	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3223	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3223	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3223	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3223	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3223	N#CC(Br)Br	C3252435
PADEL_KR3223	OCCCBr	C627189
PADEL_KR3223	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3223	BrCCCCCCCCCCCC	C143157
PADEL_KR3223	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3224	CC(=O)N	C60355
PADEL_KR3224	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3224	C=CC#N	C107131
PADEL_KR3224	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3224	C=CCO	C107186
PADEL_KR3224	C=CCN=C=S	C57067
PADEL_KR3224	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3224	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3224	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3224	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3224	CC(=O)OCc1ccccc1	C140114
PADEL_KR3224	CC(CNCC(C)O)O	C110974
PADEL_KR3224	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3224	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3224	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3224	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3224	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3224	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3224	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3224	O=CCCl	C107200
PADEL_KR3224	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3224	O=C1CCCCC1	C108941
PADEL_KR3224	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3224	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3224	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3224	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3224	BrCCBr	C106934
PADEL_KR3224	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3224	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3224	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3224	S=C(NCC)NCC	C105555
PADEL_KR3224	CN(C)C(=O)C	C127195
PADEL_KR3224	CN(CCO)C	C108010
PADEL_KR3224	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3224	C=CCc1ccc(cc1)OC	C140670
PADEL_KR3224	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3224	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3224	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3224	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3224	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3224	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3224	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3224	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3224	OC(CO)CCl	C96242
PADEL_KR3224	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3224	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR3224	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3224	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3224	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3224	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3224	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3224	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3224	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3224	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3224	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3224	O=[N+](CC)[O-]	C79243
PADEL_KR3224	O=NN1CCCC1	C930552
PADEL_KR3224	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3224	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3224	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3224	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3224	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3224	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3224	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3224	ClCC(Cl)CCl	C96184
PADEL_KR3224	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR3224	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3224	O=CCc1ccccc1	C122781
PADEL_KR3224	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3224	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3224	OCCOCCOCCOCCCC	C143226
PADEL_KR3224	CCCCCCCCCC=O	C112312
PADEL_KR3224	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3224	O=CCCCCCC	C111717
PADEL_KR3224	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3224	CCCCCCCCC=O	C124196
PADEL_KR3224	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3224	OC(=O)CCCC	C109524
PADEL_KR3224	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3224	OCCC	C71238
PADEL_KR3224	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3224	OC(C)CN	C78966
PADEL_KR3224	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3224	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3224	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3224	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3224	ON=C1CCCCC1	C100641
PADEL_KR3224	OCCN1CCNCC1	C103764
PADEL_KR3224	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3224	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3224	CC(O)CC(C)(C)O	C107415
PADEL_KR3224	CCCC(=O)C	C107879
PADEL_KR3224	C1CCCCC1O	C108930
PADEL_KR3224	N#CCC#N	C109773
PADEL_KR3224	CCCCCC(=O)C	C110430
PADEL_KR3224	C(O)C#CCO	C110656
PADEL_KR3224	CCNCCO	C110736
PADEL_KR3224	CCCCCCO	C111273
PADEL_KR3224	CCCCCCCO	C111706
PADEL_KR3224	CCCCCCCCCC(=O)C	C112129
PADEL_KR3224	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3224	Oc1ccc(CC)cc1	C123079
PADEL_KR3224	CCCCCC(=O)OCC	C123660
PADEL_KR3224	CCCCCCCCCCCCN	C124221
PADEL_KR3224	NCCN1CCNCC1	C140318
PADEL_KR3224	CCCCCCCCCO	C143088
PADEL_KR3224	O=C(OC(C)(C)C)C	C540885
PADEL_KR3224	Oc1ccc(CCC)cc1	C645567
PADEL_KR3224	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3224	C=CC(Cl)CCl	C760236
PADEL_KR3224	C=CC(=O)OCCO	C818611
PADEL_KR3224	CC/C=C\CCO	C928961
PADEL_KR3224	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR3224	CCCCCCCCCCN	C2016571
PADEL_KR3224	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3224	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3224	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3224	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3224	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3224	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3224	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3224	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3224	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3224	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3224	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3224	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3224	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3224	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3224	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3224	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3224	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3224	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3224	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3224	c1(c(CC)cccc1)O	C90006
PADEL_KR3224	c1c(O)cccc1CC	C620177
PADEL_KR3224	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3224	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3224	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3224	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3224	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3224	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3224	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3224	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3224	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3224	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3224	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3224	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3224	C(=O)(O)C(C)O	C50215
PADEL_KR3224	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3224	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3224	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3224	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3224	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3224	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR3224	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3224	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3224	NC(CO)(CO)CO	C77861
PADEL_KR3224	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3224	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3224	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3224	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR3224	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3224	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3224	CC(=C)C#N	C126987
PADEL_KR3224	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3224	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3224	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3224	CC(O)COC	C107982
PADEL_KR3224	[Na+].[O-]C(=O)CF	C62748
PADEL_KR3224	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3224	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3224	ON=CCCC	C110690
PADEL_KR3224	OCCCCO	C110634
PADEL_KR3224	O=C(OCCCC)C=C	C141322
PADEL_KR3224	C(C)(C)(C)N	C75649
PADEL_KR3224	C(OCCCC)C1CO1	C2426086
PADEL_KR3224	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3224	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3224	O=C/C=C/c1ccccc1	C14371109
PADEL_KR3224	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3224	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3224	C(CCN)CCCN	C124094
PADEL_KR3224	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3224	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3224	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3224	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3224	N(CCN)CCN	C111400
PADEL_KR3224	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3224	N(CCCN)(C)C	C109557
PADEL_KR3224	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3224	C(CCCCCC)CCCCCS	C112550
PADEL_KR3224	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3224	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3224	C(CC)(C=O)CCCC	C123057
PADEL_KR3224	OCC(C(O)CCC)CC	C94962
PADEL_KR3224	CCC(=CCCC)C=O	C645625
PADEL_KR3224	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3224	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3224	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3224	O=CCCCC=O	C111308
PADEL_KR3224	C(=O)(O)CO	C79141
PADEL_KR3224	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3224	C(C)(C)(O)C#N	C75865
PADEL_KR3224	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3224	O(C(C)C)C(=O)C	C108214
PADEL_KR3224	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3224	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3224	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3224	N#CC(CCC#N)C	C4553622
PADEL_KR3224	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3224	C1COCCN1	C110918
PADEL_KR3224	C(CCCCCCC)C	C111842
PADEL_KR3224	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3224	C(=O)(O)C(=O)O	C144627
PADEL_KR3224	O(c1ccc(N)cc1)CC	C156434
PADEL_KR3224	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3224	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3224	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3224	c12ccccc1CCCC2	C119642
PADEL_KR3224	O=C(O)CS	C68111
PADEL_KR3224	O=P(OCC)(OCC)OCC	C78400
PADEL_KR3224	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3224	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR3224	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3224	OCCc1ccccc1	C60128
PADEL_KR3224	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3224	N#CC(C)C	C78820
PADEL_KR3224	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3224	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3224	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3224	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3224	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3224	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3224	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3224	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3224	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR3224	O=C1OCC(C)O1	C108327
PADEL_KR3224	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3224	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3224	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3224	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3224	N1CCCCCC1	C111499
PADEL_KR3224	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3224	O=C(C)OCCOCCCC	C112072
PADEL_KR3224	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3224	OCCOCCOCCOC	C112356
PADEL_KR3224	OCCOCCOCCOCCO	C112607
PADEL_KR3224	OCC(CO)(CO)CO	C115775
PADEL_KR3224	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3224	OC(CCCCCC)C	C123966
PADEL_KR3224	OCC(N)(C)C	C124685
PADEL_KR3224	OCC(C)(C)CO	C126307
PADEL_KR3224	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3224	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3224	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3224	C1=CC=CC1	C542927
PADEL_KR3224	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3224	O=C1NCCC1	C616455
PADEL_KR3224	O=COC(C)C	C625558
PADEL_KR3224	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR3224	OC(C)COc1ccccc1	C770354
PADEL_KR3224	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3224	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR3224	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3224	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3224	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3224	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3224	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3224	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3224	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3224	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3224	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3224	OCCOCCC	C2807309
PADEL_KR3224	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3224	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3224	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3224	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3224	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3224	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3224	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3224	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3224	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR3224	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR3224	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3224	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3224	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3224	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3224	Nc1c(C)cccc1CC	C24549062
PADEL_KR3224	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3224	CC(CO)O	C25322694
PADEL_KR3224	SC(C)(C)CCCCCC	C25360105
PADEL_KR3224	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3224	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3224	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3224	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3224	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3224	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3224	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3224	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3224	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3224	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3224	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3224	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3224	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3224	OCC1OCCC1	C97994
PADEL_KR3224	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3224	CN1CCOCC1	C109024
PADEL_KR3224	O=C1CCCC1	C120923
PADEL_KR3224	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3224	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3224	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3224	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3224	O=C(C=C(C)C)C	C141797
PADEL_KR3224	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR3224	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3224	OC(C)COCCC	C1569013
PADEL_KR3224	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR3224	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3224	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3224	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3224	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3224	OCC(CCC)CCCCC	C10042598
PADEL_KR3224	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3224	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3224	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3224	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3224	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3224	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3224	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3224	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3224	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3224	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3224	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3224	OC(OCCCC)CC	C29387868
PADEL_KR3224	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3224	ClC(Cl)(C)C	C594207
PADEL_KR3224	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3224	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3224	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3224	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3224	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3224	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3224	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3224	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3224	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3224	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3224	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3224	OCCSCCCCCCCC	C3547339
PADEL_KR3224	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3224	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3224	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3224	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3224	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3224	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3224	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3224	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3224	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3224	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3224	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR3224	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3224	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3224	OC1CCCC1	C96413
PADEL_KR3224	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3224	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3224	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3224	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3224	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3224	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3224	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3224	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3224	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3224	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3224	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3224	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3224	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3224	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3224	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3224	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3224	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3224	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3224	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3224	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3224	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3224	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3224	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3224	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3224	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3224	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3224	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3224	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3224	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3224	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR3224	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3224	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3224	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3224	OC(CCCCC)C=C	C3391864
PADEL_KR3224	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR3224	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3224	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3224	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3224	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3224	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3224	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3224	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3224	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3224	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR3224	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3224	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3224	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3224	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3224	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3224	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3224	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3224	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3224	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3224	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3224	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3224	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3224	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3224	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3224	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3224	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR3224	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3224	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3224	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3224	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3224	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3224	O=C(CC)OCC	C105373
PADEL_KR3224	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3224	O=C(c1ccccc1O)C	C118934
PADEL_KR3224	O=C1OCC(CC)O1	C4437858
PADEL_KR3224	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3224	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3224	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3224	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3224	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3224	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3224	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3224	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3224	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3224	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3224	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3224	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3224	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3224	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3224	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3224	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3224	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR3224	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3224	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3224	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3224	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3224	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3224	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3224	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3224	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3224	CC(O)COCC	C1569024
PADEL_KR3224	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3224	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3224	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3224	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3224	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3224	O=C1CCC(O1)CC	C695067
PADEL_KR3224	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3224	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3224	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3224	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3224	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3224	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3224	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3224	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3224	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3224	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3224	O=C/C=C/CCC	C6728263
PADEL_KR3224	O1C=CCCC1	C110872
PADEL_KR3224	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3224	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3224	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3224	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3224	OCC=Cc1ccccc1	C104541
PADEL_KR3224	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3224	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3224	O=c1ccoc(CC)c1O	C4940118
PADEL_KR3224	NCCCN1CCOCC1	C123002
PADEL_KR3224	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3224	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3224	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3224	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3224	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3224	O=C(CCC)OCCCCC	C540181
PADEL_KR3224	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3224	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3224	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3224	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3224	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3224	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3224	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3224	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3224	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3224	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3224	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR3224	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3224	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3224	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3224	OP(OCC)OCC	C762049
PADEL_KR3224	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3224	OCCOCC(CC)CCCC	C1559359
PADEL_KR3224	O=C(CC)CCCCC	C106683
PADEL_KR3224	OCCN(CC)CCO	C139877
PADEL_KR3224	CCOC(OCC)OCC	C122510
PADEL_KR3224	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR3224	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3224	O=C(CF)O	C144490
PADEL_KR3224	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3224	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3224	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3224	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3224	c12ccccc1CC=C2	C95136
PADEL_KR3224	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3224	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3224	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3224	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3224	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3224	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3224	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3224	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3224	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3224	OC(C)C(=O)OCCCC	C138227
PADEL_KR3224	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3224	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3224	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3224	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3224	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3224	Oc1c(OCC)cccc1	C94713
PADEL_KR3224	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3224	COc1ccc(CCC)cc1	C104450
PADEL_KR3224	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3224	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR3224	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3224	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR3224	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3224	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3224	OC(CO)c1ccccc1	C93561
PADEL_KR3224	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3224	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3224	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR3224	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR3224	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR3224	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3224	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3224	O=C(C)OCCCCCCCC	C112141
PADEL_KR3224	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3224	Oc1c(C(C)C)cccc1	C88697
PADEL_KR3224	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3224	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR3224	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3224	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3224	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3224	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3224	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3224	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3224	NCCN.I.I	C5700492
PADEL_KR3224	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR3224	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3224	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3224	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3224	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3224	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3224	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3224	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3224	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3224	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3224	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3224	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3224	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3224	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3224	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3224	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3224	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3224	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3224	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3224	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3224	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3224	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3224	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3224	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3224	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3224	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3224	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3224	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3224	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3224	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3224	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3224	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3224	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3224	OCCOCC(C)OCCO	C9003116
PADEL_KR3224	O=C1OC(CCC)CC1	C105215
PADEL_KR3224	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3224	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3224	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3224	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3224	Nc1ccc(CCC)cc1	C2696846
PADEL_KR3224	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3224	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3224	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3224	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3224	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3224	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3224	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3224	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3224	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3224	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR3224	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3224	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3224	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3224	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3224	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR3224	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3224	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3224	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3224	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3224	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3224	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3224	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3224	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3224	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3224	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3224	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3224	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3224	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR3224	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3224	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR3224	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3224	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3224	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3224	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3224	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3224	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3224	S=C1NCCN1	C96457
PADEL_KR3224	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3224	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3224	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3224	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3224	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3224	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR3224	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3224	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR3224	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3224	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3224	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3224	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3224	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3224	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3224	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3224	c1ccccc1OCCO	C122996
PADEL_KR3224	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3224	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR3224	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR3224	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3224	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3224	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3224	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3224	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3224	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3224	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3224	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3224	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3224	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3224	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3224	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3224	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3224	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3224	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3224	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3224	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3224	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3224	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3224	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3224	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3224	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3224	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3224	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3224	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3224	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3224	ClCCP(=O)(O)O	C16672870
PADEL_KR3224	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3224	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3224	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3224	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3224	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3224	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3224	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3224	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3224	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3224	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3224	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR3224	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3224	OCCOC	C109864
PADEL_KR3224	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3224	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR3224	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3224	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3224	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3224	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3224	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3224	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3224	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3224	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3224	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3224	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3224	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3224	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3224	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3224	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3224	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3224	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3224	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3224	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3224	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3224	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR3224	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3224	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3224	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3224	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3224	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR3224	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3224	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3224	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3224	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3224	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3224	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3224	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3224	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3224	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3224	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3224	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3224	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3224	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3224	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3224	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3224	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3224	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3224	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3224	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3224	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3224	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3224	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3224	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3224	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3224	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3224	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3224	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3224	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3224	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3224	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3224	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3224	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3224	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3224	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3224	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3224	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3224	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3224	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3224	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3224	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3224	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3224	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3224	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3224	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3224	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3224	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3224	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3224	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3224	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3224	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR3224	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3224	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3224	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3224	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3224	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3224	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3224	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3224	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3224	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3224	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3224	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3224	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3224	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3224	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3224	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3224	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3224	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3224	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3224	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3224	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3224	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3224	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3224	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3224	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3224	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3224	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3224	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3224	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3224	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3224	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3224	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3224	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3224	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3224	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3224	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3224	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3224	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3224	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR3224	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR3224	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3224	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3224	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3224	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR3224	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3224	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3224	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3224	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3224	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3224	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3224	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3224	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3224	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3224	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3224	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3224	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3224	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3224	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3224	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR3224	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR3224	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3224	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3224	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3224	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3224	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3224	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3224	NC(=O)C=C	C79061
PADEL_KR3224	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3224	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR3224	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3224	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3224	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3224	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3224	ClCCOCCCl	C111444
PADEL_KR3224	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3224	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3224	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3224	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3224	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3224	O=C1CCCO1	C96480
PADEL_KR3224	O=C1CCCCCN1	C105602
PADEL_KR3224	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3224	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3224	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3224	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3224	O=C(c1ccccc1)CCl	C532274
PADEL_KR3224	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3224	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3224	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3224	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3224	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3224	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3224	OC(=O)C(Cl)Cl	C79436
PADEL_KR3224	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3224	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR3224	OCCOCCO	C111466
PADEL_KR3224	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3224	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3224	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3224	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3224	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3224	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3224	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3224	C(CO)O	C107211
PADEL_KR3224	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3224	CCC(CCCC)CO	C104767
PADEL_KR3224	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3224	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3224	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3224	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3224	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3224	OCC(O)CO	C56815
PADEL_KR3224	OCC1CO1	C556525
PADEL_KR3224	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3224	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3224	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3224	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3224	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3224	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3224	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3224	O=C1N(CCC1)C	C872504
PADEL_KR3224	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3224	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3224	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3224	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3224	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3224	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3224	O=NN(CCCC)CCCC	C924163
PADEL_KR3224	CCN(CC)N=O	C55185
PADEL_KR3224	O=NN(CCC)CCC	C621647
PADEL_KR3224	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3224	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3224	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR3224	C1CNCCN1	C110850
PADEL_KR3224	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3224	O=S1(=O)CCCO1	C1120714
PADEL_KR3224	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3224	CC(CO)O	C57556
PADEL_KR3224	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR3224	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR3224	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3224	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3224	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3224	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3224	OC(=O)C=CC=CC	C110441
PADEL_KR3224	C1C(c2ccccc2)O1	C96093
PADEL_KR3224	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3224	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3224	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3224	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3224	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3224	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3224	OCCN(CCO)CCO	C102716
PADEL_KR3224	OCCOCCOCCO	C112276
PADEL_KR3224	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR3224	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3224	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3224	NC(=O)OCC	C51796
PADEL_KR3224	O=C1N(C=C)CCC1	C88120
PADEL_KR3224	OC(=O)CCC	C107926
PADEL_KR3224	CCCCOCCOCCO	C112345
PADEL_KR3224	CCCCCCCCCC(=O)O	C334485
PADEL_KR3224	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3224	O=C(O)CCCCCC	C111148
PADEL_KR3224	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3224	CCCCCC(=O)O	C142621
PADEL_KR3224	CCCCCCCCC(=O)O	C112050
PADEL_KR3224	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3224	CCCCCCCC=O	C124130
PADEL_KR3224	CCCCCCCC(=O)O	C124072
PADEL_KR3224	CCCCC=O	C110623
PADEL_KR3224	CCCCCCCCCCC	C1120214
PADEL_KR3224	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3224	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3224	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR3224	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3224	CCN(CC)c1ccccc1	C91667
PADEL_KR3224	CCC(=NO)C	C96297
PADEL_KR3224	c1ccccc1C(=O)C	C98862
PADEL_KR3224	CCN(CCO)CC	C100378
PADEL_KR3224	CCNc1cc(C)ccc1	C102272
PADEL_KR3224	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3224	ClCCO	C107073
PADEL_KR3224	CC(=O)OCCOCC	C111159
PADEL_KR3224	OCCNCCO	C111422
PADEL_KR3224	N#CCCCCC#N	C111693
PADEL_KR3224	CCCCCCCCO	C111875
PADEL_KR3224	CCOCCOCCO	C111900
PADEL_KR3224	CCCCCCCCCCO	C112301
PADEL_KR3224	CCCCCCCCCCCCCO	C112709
PADEL_KR3224	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3224	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3224	OCCN	C141435
PADEL_KR3224	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR3224	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3224	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3224	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3224	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR3224	c1(CCCC)ccccc1	C104518
PADEL_KR3224	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3224	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3224	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3224	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3224	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3224	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3224	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3224	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3224	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3224	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3224	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3224	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3224	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3224	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3224	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3224	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3224	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3224	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3224	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3224	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3224	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3224	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3224	NC1CCCCC1	C108918
PADEL_KR3224	O=S(=O)(OCC)OCC	C64675
PADEL_KR3224	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR3224	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3224	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3224	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR3224	CCOCCO	C110805
PADEL_KR3224	CCCCOCCO	C111762
PADEL_KR3224	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3224	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3224	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3224	OCCOCCOCCOCC	C112505
PADEL_KR3224	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3224	ON=CC(C)(C)SC	C1646759
PADEL_KR3224	O(CCOC)CCOC	C111966
PADEL_KR3224	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3224	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3224	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3224	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3224	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3224	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3224	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3224	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3224	C(CCCCCCCC)C	C124185
PADEL_KR3224	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3224	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3224	OC(CCl)CCl	C96231
PADEL_KR3224	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3224	O(CCOC)CCO	C111773
PADEL_KR3224	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3224	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3224	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3224	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3224	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3224	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3224	N(c1ccccc1)CC	C103695
PADEL_KR3224	O=C(O)C(CCCC)CC	C149575
PADEL_KR3224	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3224	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3224	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3224	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3224	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR3224	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3224	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3224	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3224	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3224	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3224	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3224	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3224	C(OCCOC)COCCOC	C112492
PADEL_KR3224	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3224	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3224	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3224	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3224	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3224	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3224	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3224	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR3224	CC(C)c1ccc(C)cc1	C99876
PADEL_KR3224	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3224	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3224	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3224	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3224	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3224	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3224	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3224	OCCC(O)C	C107880
PADEL_KR3224	OC(CC(C)C)C	C108112
PADEL_KR3224	O=C(OC)CCCCCCC	C111115
PADEL_KR3224	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3224	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3224	OCCOCCCCCC	C112254
PADEL_KR3224	OCCCCCCCCCCC	C112425
PADEL_KR3224	OCCCCCCCCCCCC	C112538
PADEL_KR3224	OCCCCCCCCCCCCCC	C112721
PADEL_KR3224	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3224	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3224	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3224	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3224	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3224	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3224	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3224	Nc1c(CC)cccc1CC	C579668
PADEL_KR3224	O=C(C)OCCCCC	C628637
PADEL_KR3224	CCCCCCCCCCCCCCC	C629629
PADEL_KR3224	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3224	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3224	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR3224	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3224	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3224	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR3224	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3224	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3224	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3224	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3224	OC(OC(O)CC)CC	C25265718
PADEL_KR3224	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3224	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3224	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3224	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3224	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3224	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3224	OC(OCCCOC)CC	C34590948
PADEL_KR3224	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3224	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3224	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3224	O=C(OC)CC(=O)OC	C108598
PADEL_KR3224	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3224	CCC12N(COC1)COC2	C7747355
PADEL_KR3224	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3224	O=C(N)C(=C)C	C79390
PADEL_KR3224	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3224	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3224	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3224	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3224	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3224	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3224	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3224	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3224	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3224	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3224	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3224	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR3224	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3224	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3224	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3224	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3224	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3224	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3224	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3224	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3224	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3224	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3224	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3224	CCCCCCCCN(C)C	C7378996
PADEL_KR3224	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3224	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3224	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3224	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3224	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3224	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3224	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3224	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3224	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR3224	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3224	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3224	O=C(CCC)OCC	C105544
PADEL_KR3224	O=C(OCC)CCCCCC	C106309
PADEL_KR3224	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3224	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3224	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3224	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3224	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3224	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3224	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3224	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3224	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3224	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3224	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3224	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR3224	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3224	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3224	CCCc1ccccc1	C103651
PADEL_KR3224	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3224	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3224	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3224	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3224	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3224	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3224	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3224	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3224	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3224	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3224	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3224	CC(C)(C)c1ccccc1	C98066
PADEL_KR3224	O=C(C)NC	C79163
PADEL_KR3224	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3224	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3224	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3224	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3224	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3224	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3224	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3224	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3224	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3224	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3224	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3224	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3224	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3224	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3224	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3224	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3224	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3224	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3224	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3224	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3224	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3224	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3224	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3224	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3224	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3224	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3224	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3224	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3224	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3224	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3224	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3224	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3224	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3224	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3224	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3224	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3224	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR3224	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3224	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3224	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3224	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3224	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3224	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3224	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3224	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3224	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3224	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3224	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3224	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3224	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3224	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3224	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3224	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3224	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3224	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3224	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3224	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3224	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3224	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3224	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR3224	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3224	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3224	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3224	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR3224	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3224	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3224	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3224	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3224	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3224	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3224	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3224	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3224	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3224	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3224	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3224	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3224	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3224	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3224	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3224	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3224	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3224	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3224	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3224	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3224	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3224	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3224	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3224	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3224	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3224	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3224	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3224	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3224	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3224	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3224	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3224	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3224	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3224	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3224	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3224	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3224	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3224	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3224	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3224	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3224	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3224	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3224	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3224	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3224	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3224	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3224	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3224	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3224	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3224	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3224	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3224	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3224	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3224	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3224	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3224	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR3224	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3224	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3224	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3224	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3224	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3224	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3224	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3224	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3224	N#CC(Br)Br	C3252435
PADEL_KR3224	OCCCBr	C627189
PADEL_KR3224	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR3224	C(=O)(C)O	C64197
PADEL_KR3224	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3224	C(CO)C(C)C	C123513
PADEL_KR3224	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3224	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3224	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3224	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3224	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3224	NCCOCCOCCN	C929599
PADEL_KR3224	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3224	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3224	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3224	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3224	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3224	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3224	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3224	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3224	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3224	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3224	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3224	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3224	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3224	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3224	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3224	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3224	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PADEL_KR3224	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3224	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3224	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3224	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3224	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR3224	OCCC(OC)C	C2517433
PADEL_KR3224	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PADEL_KR3224	S=C(NCCCC)NCCCC	C109466
PADEL_KR3224	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3224	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3224	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3224	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3224	O=COCC	C109944
PADEL_KR3224	O=C(OCC)c1ccccc1	C93890
PADEL_KR3224	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3224	O=CCCSC	C3268493
PADEL_KR3224	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3224	N(CCN(C)C)(C)C	C110189
PADEL_KR3224	CCN(CC)CC	C121448
PADEL_KR3224	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3224	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3224	CC(=O)OCC	C141786
PADEL_KR3224	CC(=O)OCCCC	C123864
PADEL_KR3224	CC(=O)CCC(C)C	C110123
PADEL_KR3224	CC(=O)CC(C)C	C108101
PADEL_KR3224	NCCN	C107153
PADEL_KR3224	CC(C)C=O	C78842
PADEL_KR3224	CCCCCC=O	C66251
PADEL_KR3224	CCCC=O	C123728
PADEL_KR3224	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3224	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3224	CCC1CO1	C106887
PADEL_KR3224	CC1CC(=O)O1	C3068880
PADEL_KR3224	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3224	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3224	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3224	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3224	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3224	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3224	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3224	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3224	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3224	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3224	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR3224	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3224	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3224	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3224	O=C(CCl)CCl	C534076
PADEL_KR3224	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3224	CC(=O)C(=O)O	C127173
PADEL_KR3224	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3224	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3224	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3224	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3224	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3224	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3224	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3224	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3224	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3224	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3224	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3224	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3224	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3224	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3224	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR3224	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3224	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3224	O=CC=CC=CCCCCC	C25152845
PADEL_KR3224	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3224	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3224	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3224	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR3224	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3224	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3224	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3224	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3224	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3224	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3224	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3224	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3224	OCC=C(C)C	C556821
PADEL_KR3224	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3224	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3224	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3224	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3224	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3224	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3224	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3224	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3224	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3224	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3224	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3224	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3224	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR3224	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3224	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3224	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3224	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3224	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3224	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3224	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3224	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3224	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3224	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3224	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3224	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3224	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3224	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3224	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3224	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR3224	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3224	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3224	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3224	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3224	O=CCCCCCCCCC=C	C112458
PADEL_KR3224	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3224	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3224	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3224	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3224	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3224	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3224	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3224	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3224	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3224	Br[Sn](CC)(CC)CC	C2767546
PADEL_KR3224	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3224	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3224	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3224	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3224	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3224	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3224	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3224	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3224	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3224	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3224	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3224	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3224	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3224	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3224	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3224	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3224	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3224	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3224	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3224	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3224	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3224	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3224	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3224	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR3224	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3224	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3224	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3224	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3224	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3224	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3224	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR3224	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3224	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3224	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3224	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3224	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3224	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3224	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3224	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3224	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3224	O=CN1CCCCC1	C2591868
PADEL_KR3224	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3224	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3224	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3224	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3224	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3224	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3224	BrCCCCCCCCCCCC	C143157
PADEL_KR3224	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3224	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3224	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3224	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3224	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3224	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3224	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3224	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3224	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3224	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3224	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3224	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3224	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3224	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3224	O=C(OCCCCO)C=C	C2478106
PADEL_KR3224	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3224	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3224	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3224	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3224	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3224	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3224	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3224	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3224	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3224	NCCCOCCCCCCCC	C15930662
PADEL_KR3224	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3224	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3224	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3224	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3224	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3224	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3224	CC1COc2ccccc2N1	C32329207
PADEL_KR3224	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3224	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3224	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3224	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3224	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3224	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3224	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3224	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3224	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3224	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3224	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3224	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3224	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3224	SC1CCCC1	C1679078
PADEL_KR3224	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3224	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3224	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3224	S=C=NCCCSC	C505793
PADEL_KR3224	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3224	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3224	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3224	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3224	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3224	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3224	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3224	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3224	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3224	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3224	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3224	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR3224	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3224	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3224	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3224	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3224	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3224	CCCCCc1ccco1	C3777693
PADEL_KR3224	CCC(=O)C(=O)CC	C4437518
PADEL_KR3224	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3224	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3225	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3225	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3225	C(O)C#CCO	C110656
PADEL_KR3225	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3225	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3225	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3225	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3225	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3225	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3225	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3225	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3225	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3225	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3225	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3225	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR3225	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3225	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3225	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3225	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3225	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3225	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3228	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3228	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3228	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3228	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3228	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3228	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3228	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3228	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3228	O=C(N)C(=C)C	C79390
PADEL_KR3228	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3228	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3229	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3229	ON=C1CCCCC1	C100641
PADEL_KR3229	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3229	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3229	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3229	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3229	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3229	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3229	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3229	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3229	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3229	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3229	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3229	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3229	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3229	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3229	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3229	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3229	CCC(=NO)C	C96297
PADEL_KR3229	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3229	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3229	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3229	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3230	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3230	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3230	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3230	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3230	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3230	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3230	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3231	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3231	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3231	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3231	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3231	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3231	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3231	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3239	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3239	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3239	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3239	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3239	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3240	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3255	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3263	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3263	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3263	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3263	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3264	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3264	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3264	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3264	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3264	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3268	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3268	O=C1CCCCC1	C108941
PADEL_KR3268	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3268	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3268	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3268	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3268	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3268	CCCC(=O)C	C107879
PADEL_KR3268	CCCCCC(=O)C	C110430
PADEL_KR3268	CCCCCCCCCC(=O)C	C112129
PADEL_KR3268	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3268	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3268	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3268	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3268	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3268	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3268	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3268	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3268	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3268	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3268	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3268	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3268	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3268	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3268	O=C1CCCC1	C120923
PADEL_KR3268	O=C(C=C(C)C)C	C141797
PADEL_KR3268	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3268	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3268	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3268	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3268	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3268	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3268	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3268	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3268	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3268	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3268	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3268	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3268	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3268	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3268	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3268	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3268	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3268	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3268	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3268	O=C(CC)CCCCC	C106683
PADEL_KR3268	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3268	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3268	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3268	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3268	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3268	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3268	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3268	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3268	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3268	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3268	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3268	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3268	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3268	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3268	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3268	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3268	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3268	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3268	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3268	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3268	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3268	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3268	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3268	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3268	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3268	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3268	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3268	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3268	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3268	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3268	CC(=O)CCC(C)C	C110123
PADEL_KR3268	CC(=O)CC(C)C	C108101
PADEL_KR3268	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3268	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3268	O=C(CCl)CCl	C534076
PADEL_KR3268	CC(=O)C(=O)O	C127173
PADEL_KR3268	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3268	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3268	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3268	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3268	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3268	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3268	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3268	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3268	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3268	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3268	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3268	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3268	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3268	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3268	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3268	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3268	CCC(=O)C(=O)CC	C4437518
PADEL_KR3276	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3276	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3279	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3280	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3281	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3281	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3281	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3281	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3281	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3281	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3281	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3281	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3281	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3283	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3283	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3283	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3283	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3283	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3283	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3283	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3283	O=C(c1ccccc1O)C	C118934
PADEL_KR3283	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3283	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3283	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3283	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3283	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR3283	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3283	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3283	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3283	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3283	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3283	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3283	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3283	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3283	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3283	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3283	O=C(c1ccccc1)CCl	C532274
PADEL_KR3283	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3283	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3283	c1ccccc1C(=O)C	C98862
PADEL_KR3283	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3283	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3283	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3283	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3283	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3283	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3283	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3283	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3283	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3283	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3283	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3283	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3283	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3283	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3283	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3283	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3283	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3284	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3284	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3285	O=C(c1ccccc1O)C	C118934
PADEL_KR3285	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3285	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3285	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3285	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3285	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3285	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3285	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3288	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3288	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3288	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3288	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3289	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3289	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3289	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3289	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3289	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3289	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3289	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3289	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3291	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3291	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3291	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3291	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3291	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3291	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3291	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3291	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3291	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3291	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3291	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3291	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3291	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3291	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3291	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3291	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3291	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3293	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3293	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3293	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3293	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3293	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3293	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3293	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3293	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3293	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3293	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3293	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3293	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3293	CC(=O)C(=O)O	C127173
PADEL_KR3293	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3293	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3293	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3293	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3293	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3295	CC(=O)N	C60355
PADEL_KR3295	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3295	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3295	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3295	CN(C)C(=O)C	C127195
PADEL_KR3295	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3295	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3295	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3295	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3295	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3295	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3295	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3295	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3295	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3295	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3295	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3295	O=C1NCCC1	C616455
PADEL_KR3295	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3295	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3295	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3295	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3295	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3295	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3295	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3295	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3295	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3295	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3295	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3295	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3295	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3295	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3295	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3295	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3295	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3295	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3295	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3295	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3295	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3295	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3295	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3295	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3295	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3295	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3295	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3295	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3295	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3295	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3295	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3295	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3295	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3295	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3295	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3295	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3295	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3295	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3295	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3295	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3295	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3295	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3295	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3295	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3295	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3295	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3295	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3295	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3295	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3295	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3295	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3295	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3295	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3295	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3295	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3295	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3295	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3295	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3295	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3295	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3295	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3295	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3295	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3295	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3295	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3295	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3295	NC(=O)C=C	C79061
PADEL_KR3295	O=C1CCCCCN1	C105602
PADEL_KR3295	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3295	O=C1N(CCC1)C	C872504
PADEL_KR3295	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3295	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3295	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3295	O=C1N(C=C)CCC1	C88120
PADEL_KR3295	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3295	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3295	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3295	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3295	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3295	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3295	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3295	O=C(N)C(=C)C	C79390
PADEL_KR3295	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3295	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3295	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3295	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3295	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3295	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3295	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3295	O=C(C)NC	C79163
PADEL_KR3295	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3295	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3295	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3295	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3295	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3295	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3295	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3295	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3295	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3295	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3295	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3295	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3295	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3295	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3295	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3295	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3295	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3295	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3295	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3295	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3295	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3295	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3295	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3295	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3295	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3295	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3295	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3295	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3295	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3295	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3295	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3295	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3295	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3295	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3295	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3295	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3295	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3295	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3295	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3295	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3295	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3295	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3295	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3295	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3295	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3295	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3295	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3295	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3295	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3295	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3295	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3295	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3295	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3295	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3295	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3295	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3296	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3297	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3302	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3302	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3302	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3302	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3302	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3303	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3303	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3303	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3303	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3303	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3303	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3303	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3304	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3304	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3304	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3304	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3326	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3326	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3326	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3327	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3327	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3327	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3328	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3328	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3328	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3328	CC(=O)OCc1ccccc1	C140114
PADEL_KR3328	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3328	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3328	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3328	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3328	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3328	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3328	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3328	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3328	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3328	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3328	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3328	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3328	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3328	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3328	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3328	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3328	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3328	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3328	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3328	OC(=O)CCCC	C109524
PADEL_KR3328	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3328	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3328	CCCCCC(=O)OCC	C123660
PADEL_KR3328	O=C(OC(C)(C)C)C	C540885
PADEL_KR3328	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3328	C=CC(=O)OCCO	C818611
PADEL_KR3328	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3328	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3328	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3328	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3328	C(=O)(O)C(C)O	C50215
PADEL_KR3328	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3328	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3328	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3328	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3328	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3328	[Na+].[O-]C(=O)CF	C62748
PADEL_KR3328	O=C(OCCCC)C=C	C141322
PADEL_KR3328	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3328	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3328	C(=O)(O)CO	C79141
PADEL_KR3328	O(C(C)C)C(=O)C	C108214
PADEL_KR3328	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3328	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3328	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3328	C(=O)(O)C(=O)O	C144627
PADEL_KR3328	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3328	O=C(O)CS	C68111
PADEL_KR3328	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3328	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3328	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3328	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3328	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3328	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3328	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3328	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3328	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3328	O=C(C)OCCOCCCC	C112072
PADEL_KR3328	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3328	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3328	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3328	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3328	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3328	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3328	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3328	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3328	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3328	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3328	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3328	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3328	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3328	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3328	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3328	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3328	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3328	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3328	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3328	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3328	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3328	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3328	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3328	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3328	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3328	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3328	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3328	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3328	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3328	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3328	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3328	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3328	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3328	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3328	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3328	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3328	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3328	O=C(CC)OCC	C105373
PADEL_KR3328	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3328	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3328	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3328	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3328	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3328	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3328	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3328	O=C1CCC(O1)CC	C695067
PADEL_KR3328	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3328	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3328	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3328	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3328	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3328	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3328	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3328	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3328	O=C(CCC)OCCCCC	C540181
PADEL_KR3328	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3328	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3328	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3328	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3328	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3328	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3328	O=C(CF)O	C144490
PADEL_KR3328	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3328	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3328	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3328	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3328	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3328	OC(C)C(=O)OCCCC	C138227
PADEL_KR3328	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3328	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3328	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3328	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3328	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3328	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3328	O=C(C)OCCCCCCCC	C112141
PADEL_KR3328	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3328	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3328	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3328	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3328	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3328	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3328	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3328	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3328	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3328	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3328	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3328	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3328	O=C1OC(CCC)CC1	C105215
PADEL_KR3328	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3328	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3328	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3328	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3328	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3328	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3328	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3328	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3328	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3328	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3328	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3328	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3328	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3328	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3328	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3328	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3328	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3328	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3328	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3328	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3328	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3328	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3328	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3328	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3328	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3328	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3328	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3328	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3328	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3328	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3328	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3328	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3328	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3328	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3328	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3328	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3328	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3328	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3328	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3328	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3328	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3328	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3328	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3328	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3328	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3328	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3328	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3328	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3328	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3328	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3328	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3328	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3328	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3328	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3328	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3328	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3328	O=C1CCCO1	C96480
PADEL_KR3328	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3328	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3328	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3328	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3328	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3328	OC(=O)C(Cl)Cl	C79436
PADEL_KR3328	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3328	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3328	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3328	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3328	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3328	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3328	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3328	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3328	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3328	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR3328	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3328	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3328	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3328	OC(=O)C=CC=CC	C110441
PADEL_KR3328	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3328	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3328	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3328	OC(=O)CCC	C107926
PADEL_KR3328	CCCCCCCCCC(=O)O	C334485
PADEL_KR3328	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3328	O=C(O)CCCCCC	C111148
PADEL_KR3328	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3328	CCCCCC(=O)O	C142621
PADEL_KR3328	CCCCCCCCC(=O)O	C112050
PADEL_KR3328	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3328	CCCCCCCC(=O)O	C124072
PADEL_KR3328	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3328	CC(=O)OCCOCC	C111159
PADEL_KR3328	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3328	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3328	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3328	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3328	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3328	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3328	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3328	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3328	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3328	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3328	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3328	O=C(O)C(CCCC)CC	C149575
PADEL_KR3328	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3328	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3328	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3328	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3328	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3328	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3328	O=C(OC)CCCCCCC	C111115
PADEL_KR3328	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3328	O=C(C)OCCCCC	C628637
PADEL_KR3328	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3328	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3328	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3328	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3328	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3328	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3328	O=C(OC)CC(=O)OC	C108598
PADEL_KR3328	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3328	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3328	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3328	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3328	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3328	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3328	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3328	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3328	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3328	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3328	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3328	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3328	O=C(CCC)OCC	C105544
PADEL_KR3328	O=C(OCC)CCCCCC	C106309
PADEL_KR3328	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3328	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3328	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3328	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3328	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3328	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3328	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3328	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3328	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3328	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3328	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3328	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3328	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3328	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3328	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3328	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3328	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3328	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3328	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3328	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3328	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3328	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3328	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3328	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3328	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3328	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3328	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3328	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3328	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3328	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3328	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3328	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3328	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3328	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3328	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3328	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3328	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3328	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3328	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3328	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3328	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3328	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3328	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3328	C(=O)(C)O	C64197
PADEL_KR3328	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3328	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3328	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3328	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3328	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3328	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3328	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3328	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3328	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3328	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3328	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3328	CC(=O)OCC	C141786
PADEL_KR3328	CC(=O)OCCCC	C123864
PADEL_KR3328	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3328	CC1CC(=O)O1	C3068880
PADEL_KR3328	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3328	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3328	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3328	CC(=O)C(=O)O	C127173
PADEL_KR3328	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3328	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3328	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3328	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3328	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3328	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3328	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3328	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3328	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3328	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3328	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3328	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3328	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3328	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3328	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3328	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3328	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3328	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3328	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3328	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3328	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3328	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3328	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3328	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3328	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3328	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3328	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3328	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3328	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3328	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3328	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR3328	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3328	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3328	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3328	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3328	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3328	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3328	O=C(OCCCCO)C=C	C2478106
PADEL_KR3328	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3328	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3328	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3328	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3328	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3328	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3328	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3328	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3328	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3328	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3328	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3328	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3328	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3328	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3328	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3328	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR3328	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3328	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3328	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3328	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3331	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3331	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3331	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3331	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3331	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3331	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3331	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3332	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3334	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3336	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3336	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3336	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3336	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3336	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3336	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3336	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3336	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3336	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3336	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3336	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3336	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3336	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3336	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3336	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3336	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3336	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3336	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3336	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3336	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3336	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3336	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3336	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3336	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3336	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3336	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3336	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3336	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3336	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3336	OCC(CO)(CO)CO	C115775
PADEL_KR3336	OCC(C)(C)CO	C126307
PADEL_KR3336	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3336	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3336	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3336	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3336	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3336	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3336	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3336	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3336	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3336	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3336	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3336	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3336	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3336	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3336	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3336	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3336	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3336	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3336	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3336	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3336	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3336	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3336	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3336	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3336	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3336	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3336	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3336	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3336	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3336	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3336	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3336	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3336	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3336	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3336	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3336	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3336	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3336	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3336	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3336	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3336	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3336	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3336	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3336	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3336	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3336	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3336	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3336	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3336	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3336	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3336	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3336	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3336	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3336	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3336	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3336	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3336	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3336	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3336	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3336	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3336	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3336	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3336	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3336	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3336	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3336	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3336	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3336	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3336	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3336	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3336	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3336	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3336	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3336	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3336	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3336	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3336	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3336	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3336	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3336	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3336	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3336	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3336	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3336	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3336	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3336	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3336	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3336	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3336	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3336	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3336	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3336	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3336	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3336	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3336	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3336	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3336	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3336	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3336	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3336	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3336	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3336	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3336	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3336	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3336	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3336	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3336	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3336	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3337	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3337	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3337	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3337	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3337	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3337	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3337	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3339	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3339	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3339	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3339	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3339	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3339	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3339	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3339	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3339	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3339	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3339	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3339	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3339	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3339	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3339	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3339	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3339	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3339	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3339	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3339	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3339	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3339	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3339	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3339	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3339	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3339	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3342	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3343	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3345	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3345	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3345	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3345	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3346	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3346	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3346	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3346	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3346	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3346	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3346	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3346	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3346	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3346	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3346	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3346	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3346	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3347	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3347	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3347	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3347	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3347	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3347	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3347	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3347	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3347	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3347	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3347	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3347	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3347	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3347	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3347	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3348	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3348	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3348	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3348	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3348	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3348	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3348	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3348	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3348	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3348	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3349	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3349	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3349	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3349	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3349	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3349	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3349	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3349	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3349	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3349	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3349	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3349	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3349	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3349	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3349	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3349	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3349	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3349	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3349	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3349	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3349	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3349	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR3349	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3349	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3349	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3349	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3349	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3349	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3349	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3349	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3349	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3349	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3349	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3349	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3349	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3349	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3349	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3349	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3349	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3349	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3349	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3349	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3349	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3349	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3349	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3349	CC(C)(C)c1ccccc1	C98066
PADEL_KR3349	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3349	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3349	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3349	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3349	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3349	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3349	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3349	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3349	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3349	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3349	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3349	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3349	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3349	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3349	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3349	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3349	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3349	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3349	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3349	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3351	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3351	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3351	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3351	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3351	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3351	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3351	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3351	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3351	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3351	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3351	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3351	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3351	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3351	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3351	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3351	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3351	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3351	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3351	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3351	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3351	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3351	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3351	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3351	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3351	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3351	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3351	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3351	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3351	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3351	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3351	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3351	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3351	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3351	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3351	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3351	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3352	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3353	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3353	NC(CO)(CO)CO	C77861
PADEL_KR3353	C(C)(C)(C)N	C75649
PADEL_KR3353	OCC(N)(C)C	C124685
PADEL_KR3353	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3353	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3353	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3353	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3353	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3353	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3353	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3353	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3353	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3353	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3353	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3353	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3353	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3353	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3353	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3353	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3353	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3353	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3353	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3353	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3353	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3353	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3353	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3353	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3353	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3353	CCC12N(COC1)COC2	C7747355
PADEL_KR3353	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3353	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3353	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3353	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3353	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3353	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3353	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3353	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3353	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3353	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3353	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3353	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3353	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3355	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3355	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3355	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3355	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3355	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3355	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3355	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3355	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3355	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3355	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3355	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3355	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3355	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3355	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3355	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3355	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3355	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3357	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3359	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3359	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3360	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3360	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3360	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3360	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3360	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3360	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3360	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3360	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3360	CC(O)CC(C)(C)O	C107415
PADEL_KR3360	O=C(OC(C)(C)C)C	C540885
PADEL_KR3360	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3360	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3360	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3360	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3360	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3360	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3360	C(C)(C)(O)C#N	C75865
PADEL_KR3360	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3360	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3360	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3360	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3360	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3360	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3360	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3360	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3360	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3360	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3360	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3360	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3360	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3360	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3360	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3360	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3360	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3360	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3360	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3360	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3360	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3360	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3360	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3360	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3360	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3360	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3360	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3360	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3360	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3360	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3360	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3360	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3360	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3360	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3360	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3360	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3360	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3360	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3360	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3360	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3360	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3360	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3360	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3360	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3360	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3360	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3360	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3360	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3360	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3360	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3360	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3360	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3360	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3360	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3360	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3360	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3360	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3360	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3360	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3360	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3360	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3360	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3360	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3360	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3360	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3360	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3360	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3360	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3360	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3360	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3360	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3360	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3360	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3360	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3360	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3360	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3360	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3360	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3360	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3360	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3360	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3360	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3360	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3360	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3360	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3360	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3361	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3361	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3361	O=C(OC(C)(C)C)C	C540885
PADEL_KR3361	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3361	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3361	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3361	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3361	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3361	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3361	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3361	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3361	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3361	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3361	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3361	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3361	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3361	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3361	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3361	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3361	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3361	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3361	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3361	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3361	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3361	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3361	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3361	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3361	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3362	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3362	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3362	SC(C)(C)CCCCCC	C25360105
PADEL_KR3362	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3362	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3362	ON=CC(C)(C)SC	C1646759
PADEL_KR3362	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3363	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3364	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3364	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3364	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3364	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3364	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3364	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3364	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3364	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3364	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3364	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3366	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3366	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3367	NC(CO)(CO)CO	C77861
PADEL_KR3367	OCC(N)(C)C	C124685
PADEL_KR3367	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3367	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3367	CCC12N(COC1)COC2	C7747355
PADEL_KR3368	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3368	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3368	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3368	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3368	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3368	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3368	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3368	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3368	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3368	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3368	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3369	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3369	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3369	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3369	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3369	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3369	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3369	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3369	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3369	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3369	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3369	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3369	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3369	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3369	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3369	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3369	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3369	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3369	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3369	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3369	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3369	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3369	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3369	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3369	CC(O)CC(C)(C)O	C107415
PADEL_KR3369	O=C(OC(C)(C)C)C	C540885
PADEL_KR3369	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3369	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3369	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3369	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3369	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3369	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3369	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3369	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3369	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3369	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3369	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3369	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3369	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3369	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3369	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3369	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3369	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3369	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3369	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3369	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3369	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3369	NC(CO)(CO)CO	C77861
PADEL_KR3369	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3369	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3369	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3369	C(C)(C)(C)N	C75649
PADEL_KR3369	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3369	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3369	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3369	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3369	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3369	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3369	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3369	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3369	C(CC)(C=O)CCCC	C123057
PADEL_KR3369	OCC(C(O)CCC)CC	C94962
PADEL_KR3369	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3369	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3369	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3369	C(C)(C)(O)C#N	C75865
PADEL_KR3369	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3369	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3369	N#CC(CCC#N)C	C4553622
PADEL_KR3369	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3369	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3369	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3369	N#CC(C)C	C78820
PADEL_KR3369	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3369	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3369	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3369	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3369	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3369	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3369	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3369	OCC(CO)(CO)CO	C115775
PADEL_KR3369	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3369	OCC(N)(C)C	C124685
PADEL_KR3369	OCC(C)(C)CO	C126307
PADEL_KR3369	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3369	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3369	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3369	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3369	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3369	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3369	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3369	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3369	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3369	SC(C)(C)CCCCCC	C25360105
PADEL_KR3369	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3369	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3369	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3369	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3369	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3369	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3369	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3369	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3369	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3369	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3369	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3369	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3369	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3369	OCC(CCC)CCCCC	C10042598
PADEL_KR3369	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3369	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3369	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3369	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3369	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3369	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3369	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3369	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3369	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3369	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3369	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3369	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3369	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3369	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3369	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3369	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3369	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3369	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3369	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3369	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3369	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3369	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3369	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3369	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3369	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3369	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3369	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3369	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3369	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3369	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3369	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3369	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3369	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3369	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3369	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3369	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3369	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3369	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3369	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3369	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3369	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3369	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3369	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3369	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3369	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3369	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3369	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3369	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3369	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3369	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3369	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3369	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3369	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3369	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3369	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3369	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3369	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3369	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3369	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3369	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3369	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3369	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3369	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3369	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3369	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3369	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3369	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3369	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3369	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3369	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3369	OCCOCC(CC)CCCC	C1559359
PADEL_KR3369	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3369	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3369	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3369	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3369	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3369	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3369	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3369	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3369	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3369	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3369	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3369	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3369	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3369	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3369	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3369	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3369	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3369	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3369	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3369	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3369	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3369	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3369	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3369	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3369	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3369	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3369	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3369	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3369	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3369	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR3369	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3369	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3369	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3369	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3369	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3369	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3369	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3369	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3369	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3369	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3369	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3369	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3369	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3369	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3369	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3369	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3369	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3369	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3369	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3369	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3369	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3369	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3369	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR3369	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3369	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3369	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3369	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3369	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3369	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3369	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3369	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR3369	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3369	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3369	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3369	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3369	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3369	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3369	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3369	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3369	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3369	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3369	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3369	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3369	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3369	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3369	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3369	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3369	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3369	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3369	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3369	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3369	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3369	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3369	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3369	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3369	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3369	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3369	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3369	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3369	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3369	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3369	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3369	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3369	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3369	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3369	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3369	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3369	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3369	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3369	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3369	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3369	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3369	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3369	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3369	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3369	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3369	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3369	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3369	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3369	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3369	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3369	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3369	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3369	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3369	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3369	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3369	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3369	CCC(CCCC)CO	C104767
PADEL_KR3369	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3369	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3369	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3369	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3369	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3369	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3369	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3369	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3369	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3369	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3369	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3369	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3369	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3369	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3369	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3369	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3369	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3369	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3369	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3369	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3369	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3369	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3369	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3369	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3369	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3369	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3369	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3369	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3369	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3369	ON=CC(C)(C)SC	C1646759
PADEL_KR3369	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3369	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3369	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3369	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3369	O=C(O)C(CCCC)CC	C149575
PADEL_KR3369	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3369	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3369	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3369	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3369	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3369	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3369	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3369	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3369	OC(CC(C)C)C	C108112
PADEL_KR3369	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3369	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3369	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3369	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3369	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3369	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3369	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3369	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3369	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3369	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3369	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3369	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3369	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3369	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3369	CCC12N(COC1)COC2	C7747355
PADEL_KR3369	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3369	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3369	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3369	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3369	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3369	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3369	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3369	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3369	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3369	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3369	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3369	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3369	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3369	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3369	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3369	CC(C)(C)c1ccccc1	C98066
PADEL_KR3369	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3369	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3369	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3369	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3369	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3369	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3369	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3369	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3369	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3369	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3369	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3369	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3369	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3369	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3369	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3369	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3369	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3369	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3369	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3369	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3369	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3369	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3369	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3369	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3369	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3369	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3369	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3369	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3369	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3369	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3369	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3369	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3369	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3369	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3369	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3369	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3369	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3369	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3369	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3369	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3369	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3369	C(CO)C(C)C	C123513
PADEL_KR3369	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3369	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3369	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3369	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3369	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3369	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3369	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3369	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3369	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3369	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3369	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3369	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3369	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3369	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3369	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3369	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3369	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3369	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3369	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3369	CC(=O)CCC(C)C	C110123
PADEL_KR3369	CC(=O)CC(C)C	C108101
PADEL_KR3369	CC(C)C=O	C78842
PADEL_KR3369	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3369	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3369	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3369	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3369	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3369	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3369	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3369	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3369	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3369	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3369	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3369	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3369	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3369	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3369	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3369	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3369	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3369	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3369	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3369	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3369	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3369	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3369	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3369	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3369	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3369	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3369	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3369	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3369	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3369	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3369	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3369	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3369	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3369	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3369	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3369	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3369	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3369	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3369	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3369	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3369	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3369	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3369	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3369	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3369	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3369	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3369	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3369	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3369	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3369	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3369	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3369	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3369	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3369	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3369	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3369	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3369	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3369	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3369	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3369	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3369	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3369	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3369	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3371	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3371	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3375	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3375	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3375	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3375	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3375	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3375	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3375	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3375	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3375	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3375	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3375	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3375	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3375	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3375	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3375	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3375	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3375	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3375	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3375	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3375	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3375	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3375	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3375	C(CC)(C=O)CCCC	C123057
PADEL_KR3375	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3375	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3375	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3375	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3375	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3375	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3375	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3375	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3375	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3375	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3375	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3375	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3375	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3375	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3375	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3375	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3375	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3375	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3375	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3375	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3375	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3375	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3375	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3375	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3375	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3375	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3375	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3375	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3375	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3375	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3375	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3375	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3375	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3375	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3375	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3375	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3375	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3375	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3375	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3375	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3375	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3375	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3375	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3375	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3375	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3375	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3375	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3375	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3375	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3375	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3375	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3375	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3375	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3375	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3375	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3375	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3375	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3375	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3375	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3375	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3375	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3375	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3375	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3375	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3375	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3375	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3375	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3375	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3375	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3375	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3375	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3375	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3375	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3375	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3375	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3375	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3375	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3375	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3375	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3375	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3375	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3375	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3375	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3375	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3375	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3375	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3375	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3375	O=C(O)C(CCCC)CC	C149575
PADEL_KR3375	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3375	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3375	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3375	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3375	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3375	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3375	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3375	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3375	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3375	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3375	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3375	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3375	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3375	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3375	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3375	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3375	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3375	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3375	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3375	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3375	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3375	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3375	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3375	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3375	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3375	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3375	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3375	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3375	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3375	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3375	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3375	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3375	CC(C)C=O	C78842
PADEL_KR3375	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3375	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3375	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3375	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3375	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3375	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3375	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3375	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3375	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3375	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3375	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3375	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3375	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3375	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3375	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3375	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3375	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3375	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3377	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3377	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3378	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3378	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3378	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3378	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3378	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3378	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3379	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3379	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3379	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3379	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3379	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3379	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3379	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3379	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3379	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3379	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3379	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3379	CC(C)c1ccc(C)cc1	C99876
PADEL_KR3379	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3379	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3379	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3379	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3379	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3379	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3379	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3379	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3379	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3379	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3379	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3379	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3379	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3379	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3379	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3379	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3379	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3380	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3380	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3380	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3380	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3380	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3380	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3380	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3380	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3380	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3381	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3381	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3381	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3381	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3381	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3381	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3381	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3381	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3381	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3381	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3381	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3381	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3381	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3381	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3381	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3381	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3381	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3381	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3381	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3381	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3381	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3381	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3381	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3381	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3381	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3381	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3381	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3381	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3381	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3381	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3381	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3381	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3381	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3381	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3381	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3381	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3381	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3381	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3381	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3381	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3382	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3382	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3382	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3382	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3382	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3382	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3382	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3382	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3382	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3382	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3382	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3382	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3382	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3382	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3382	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3382	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3382	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3382	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3382	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3382	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3382	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3382	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3382	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3382	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR3382	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3382	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3382	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3382	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3382	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR3382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3382	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3382	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3382	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3382	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3382	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR3382	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3382	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3382	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3382	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3382	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3382	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3382	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3382	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3382	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3382	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3382	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3382	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3382	Oc1c(C(C)C)cccc1	C88697
PADEL_KR3382	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3382	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3382	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR3382	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3382	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3382	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3382	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3382	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR3382	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3382	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3382	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3382	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3382	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3382	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3382	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3382	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3382	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3382	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3382	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3382	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3382	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3382	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3382	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3382	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3382	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3382	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3382	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3382	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3382	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3382	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3382	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3382	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3382	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3382	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3382	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3382	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3382	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3382	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3382	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3382	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3382	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3382	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3382	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3382	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3382	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR3382	CC(C)c1ccc(C)cc1	C99876
PADEL_KR3382	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3382	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3382	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3382	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3382	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3382	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3382	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3382	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3382	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3382	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3382	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3382	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3382	CC(C)(C)c1ccccc1	C98066
PADEL_KR3382	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3382	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3382	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3382	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3382	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3382	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3382	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3382	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3382	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3382	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3382	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3382	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3382	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3382	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3382	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3382	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3382	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3382	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3382	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3382	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3382	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3382	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3382	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3382	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3382	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3382	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3382	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3382	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3382	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3382	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3382	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3382	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3382	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3382	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3382	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3382	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3382	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3382	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3382	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3382	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3382	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3382	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3382	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3382	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3382	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3382	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3382	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3382	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3382	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3382	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3382	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3382	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3382	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3382	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3382	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3382	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3382	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3382	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3385	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3385	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3385	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3385	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3385	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3385	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3385	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3385	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3385	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3385	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3385	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3385	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3385	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3385	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3385	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3385	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3385	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3385	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3387	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3387	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3387	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3387	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3387	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3387	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3387	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3387	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3387	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3387	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3387	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3387	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3387	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3387	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3387	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3387	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3387	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3387	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3387	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3387	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3387	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3387	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3387	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3387	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3387	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3387	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3387	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3387	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3387	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3387	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3387	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3387	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3387	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3387	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3387	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3387	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3387	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3387	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3387	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3387	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3387	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3387	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3387	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3387	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3387	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3387	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3387	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3387	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3388	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3388	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3388	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3388	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3388	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3388	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3388	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3388	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3388	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3388	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3388	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3388	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3388	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3388	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3388	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3388	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3388	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3388	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3388	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3388	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3388	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3388	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3388	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3388	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3388	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3388	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3388	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3388	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3388	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3388	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3388	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3388	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3388	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3388	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3388	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3388	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3388	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3388	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3388	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3388	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3388	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3388	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3388	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3388	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3388	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3388	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3388	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3388	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3388	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3388	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3388	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3388	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3388	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3388	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3388	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3388	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3388	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3388	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3388	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3388	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3388	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3388	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3388	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3388	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3388	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3388	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3388	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3388	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3388	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3388	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3389	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3389	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3389	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3389	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3389	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3389	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3389	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3389	CC(O)CC(C)(C)O	C107415
PADEL_KR3389	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3389	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3389	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3389	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3389	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3389	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3389	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3389	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3389	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3389	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3389	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3389	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3389	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3389	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3389	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3389	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3389	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3389	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3389	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3389	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3389	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3389	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3389	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3389	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3389	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3389	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3389	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3389	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3389	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3389	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3389	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3389	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3389	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3389	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3389	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3389	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3389	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3389	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3389	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3389	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3389	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3389	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3389	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3389	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3389	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3389	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3389	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3389	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3389	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3389	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3389	OC(CC(C)C)C	C108112
PADEL_KR3389	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3389	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3389	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3389	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3389	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3389	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3389	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3389	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3389	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3389	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3389	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3389	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3389	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3389	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3389	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3389	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3389	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3389	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3390	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3390	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3390	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3390	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3390	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3390	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3390	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3390	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3390	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3390	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3390	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3390	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3390	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3390	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3390	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3390	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3390	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3390	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3390	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3390	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3390	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3390	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3390	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3390	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3390	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3390	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3390	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3390	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3390	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3390	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3390	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3390	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3390	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3390	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3390	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3390	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3390	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3390	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3390	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3390	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3390	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3390	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3390	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3390	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3390	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3390	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3390	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3390	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3390	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3390	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3390	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3390	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3390	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3390	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3390	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3390	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3390	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3390	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3390	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3390	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3390	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3390	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3390	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3390	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3390	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3390	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3390	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3390	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3390	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3390	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3390	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3390	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3390	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3390	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3390	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3390	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3390	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3390	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3390	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3390	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3390	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3390	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3390	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3390	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3390	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3390	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3390	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3390	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3390	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3390	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3390	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3390	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3390	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3390	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3390	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3390	CC(=O)CC(C)C	C108101
PADEL_KR3390	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3390	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3390	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3390	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3390	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3390	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3390	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3390	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3390	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3390	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3390	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3390	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3390	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3390	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3390	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3391	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3392	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3392	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3392	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3392	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3392	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3392	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3392	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3392	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3392	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3392	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3392	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3392	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3392	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3392	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3392	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3392	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3392	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3392	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3392	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3392	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3392	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3392	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3392	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3392	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3392	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3392	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3392	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3392	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3393	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3393	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3393	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3393	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3393	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3393	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3393	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3393	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3393	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3393	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3393	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3393	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3393	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3393	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3393	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3393	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3393	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3393	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3393	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3393	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3393	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3393	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3393	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3393	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3393	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3393	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3393	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3393	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3393	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3393	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3393	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3393	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3393	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3393	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3393	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3393	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3393	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3393	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3393	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3393	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3393	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3393	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3393	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3393	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3393	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3393	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3393	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3393	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3393	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3393	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3393	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3393	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3393	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3393	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3393	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3393	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3393	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3393	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3393	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3393	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3393	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3393	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3393	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3393	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3393	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3393	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3393	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3393	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3393	CC(=O)CCC(C)C	C110123
PADEL_KR3393	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3393	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3393	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3393	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3393	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3393	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3393	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3393	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3393	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3393	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3393	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3393	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3394	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3394	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3394	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3394	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3394	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3394	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3394	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3394	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3394	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3394	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3394	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3394	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3394	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3394	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3394	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3394	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3394	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3394	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3394	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3394	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3394	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3394	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3394	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3394	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3394	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3394	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3394	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3394	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3394	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3394	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3394	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3394	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3394	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3394	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3394	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3394	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3394	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3394	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3394	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3394	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3394	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3394	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3394	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3394	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3394	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3394	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3394	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3394	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3394	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3394	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3394	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3394	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3394	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3394	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3394	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3394	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3394	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3394	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3394	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3394	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3394	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3394	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3394	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3394	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3394	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3394	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3394	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3394	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3394	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3394	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3394	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3394	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3394	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3394	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3394	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3394	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3394	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3394	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3394	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3394	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3394	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3394	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3394	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3394	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3394	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3395	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3395	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3395	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3395	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3395	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3395	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3395	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3395	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3395	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3395	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3395	CC(O)CC(C)(C)O	C107415
PADEL_KR3395	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3395	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3395	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3395	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3395	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3395	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3395	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3395	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3395	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3395	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3395	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3395	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3395	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3395	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3395	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3395	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3395	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3395	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3395	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3395	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3395	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3395	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3395	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3395	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3395	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3395	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3395	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3395	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3395	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3395	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3395	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3395	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3395	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3395	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3395	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3395	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3395	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3395	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3395	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3395	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3395	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3395	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3395	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3395	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3395	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3395	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3395	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3395	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3395	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3395	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3395	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3395	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3395	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3395	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3395	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3395	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3395	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3395	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3395	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3395	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3395	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3395	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3395	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3395	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3395	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3395	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3395	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3395	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3395	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3395	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3395	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3395	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3395	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3395	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3395	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3395	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3395	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3395	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3395	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3395	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3395	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3395	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3395	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3395	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3395	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3395	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3395	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3395	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3395	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3395	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3395	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3395	OC(CC(C)C)C	C108112
PADEL_KR3395	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3395	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3395	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3395	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3395	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3395	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3395	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3395	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3395	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3395	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3395	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3395	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3395	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3395	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3395	C(CO)C(C)C	C123513
PADEL_KR3395	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3395	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3395	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3395	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3395	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3395	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3395	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3395	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3395	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3395	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3395	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3395	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3395	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3395	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3395	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3395	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3395	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3395	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3395	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3395	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3395	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3395	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3395	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3395	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3395	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3395	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3396	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3396	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3396	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3396	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3396	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3396	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3396	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3396	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3396	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3396	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3396	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3396	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3396	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3396	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3396	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3396	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3396	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3396	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3396	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3396	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3396	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3396	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3396	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3396	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3396	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3396	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3396	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3396	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3396	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3396	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3396	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3396	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3396	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3396	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3396	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3396	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3396	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3396	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3396	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3396	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3396	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3396	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3396	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3396	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3396	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3396	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3396	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3396	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3396	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3396	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3396	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3396	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3396	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3396	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3396	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3396	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3396	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3396	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3396	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3396	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3396	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3396	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3396	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3396	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3396	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3398	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3398	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3398	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3398	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3398	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3398	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3398	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3398	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3398	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3398	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3398	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3398	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3398	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3398	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3398	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3398	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3398	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3398	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3398	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3398	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3398	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3398	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3398	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3398	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3399	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3399	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3399	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3399	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3399	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3399	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3399	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3399	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3399	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3399	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3399	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3399	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3399	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3399	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3399	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3399	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3399	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3399	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3399	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3399	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3399	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3399	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3399	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3399	NC(CO)(CO)CO	C77861
PADEL_KR3399	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3399	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3399	OCC(C(O)CCC)CC	C94962
PADEL_KR3399	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3399	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3399	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3399	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3399	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3399	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3399	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3399	OCC(CO)(CO)CO	C115775
PADEL_KR3399	OCC(N)(C)C	C124685
PADEL_KR3399	OCC(C)(C)CO	C126307
PADEL_KR3399	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3399	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3399	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3399	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3399	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3399	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3399	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3399	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3399	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3399	OCC(CCC)CCCCC	C10042598
PADEL_KR3399	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3399	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3399	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3399	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3399	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3399	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3399	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3399	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3399	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3399	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3399	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3399	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3399	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3399	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3399	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3399	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3399	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3399	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3399	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3399	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3399	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3399	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3399	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3399	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3399	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3399	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3399	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3399	OCCOCC(CC)CCCC	C1559359
PADEL_KR3399	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3399	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3399	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3399	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3399	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3399	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3399	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3399	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3399	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3399	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3399	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3399	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3399	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3399	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3399	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3399	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3399	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3399	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3399	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3399	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3399	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3399	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3399	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3399	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3399	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3399	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3399	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3399	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3399	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3399	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3399	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3399	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3399	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3399	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3399	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3399	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3399	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3399	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3399	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3399	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3399	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3399	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3399	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3399	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3399	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3399	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3399	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3399	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3399	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3399	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3399	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3399	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3399	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3399	CCC(CCCC)CO	C104767
PADEL_KR3399	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3399	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3399	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3399	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3399	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3399	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3399	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3399	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3399	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3399	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3399	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3399	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3399	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3399	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3399	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3399	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3399	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3399	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3399	O=C(O)C(CCCC)CC	C149575
PADEL_KR3399	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3399	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3399	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3399	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3399	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3399	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3399	CCC12N(COC1)COC2	C7747355
PADEL_KR3399	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3399	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3399	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3399	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3399	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3399	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3399	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3399	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3399	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3399	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3399	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3399	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3399	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3399	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3399	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3399	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3399	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3399	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3399	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3399	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3399	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3399	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3399	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3399	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3399	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3399	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3399	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3399	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3399	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3399	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3399	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3399	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3399	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3399	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3399	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3399	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3399	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3399	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3399	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3399	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3399	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3399	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3399	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3399	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3399	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3399	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3399	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3399	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3399	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3399	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3399	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3399	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3399	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3399	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3399	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3400	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3400	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3400	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3400	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3400	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3400	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3400	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3400	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3400	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3400	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3400	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3400	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3400	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3400	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3400	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3400	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3400	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3400	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3400	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3400	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3400	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3400	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3400	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3400	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3400	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3400	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3400	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3400	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3400	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3400	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3400	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3400	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3400	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3400	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3400	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3400	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3400	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3400	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3400	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3400	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3400	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3400	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3400	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3400	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3400	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3400	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3400	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3400	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3400	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3400	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3400	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3400	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3400	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3400	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3400	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3400	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3400	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3400	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3400	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3400	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3400	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3402	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3402	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3402	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3402	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3402	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3402	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3402	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3402	NC(CO)(CO)CO	C77861
PADEL_KR3402	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3402	C(C)(C)(C)N	C75649
PADEL_KR3402	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3402	OCC(N)(C)C	C124685
PADEL_KR3402	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3402	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3402	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3402	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3402	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3402	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3402	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3402	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3402	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3402	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3402	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3402	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3402	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3402	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3402	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3402	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3402	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3402	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3402	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3402	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3402	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3402	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3402	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3402	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3402	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3402	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3402	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3402	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3402	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3402	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3402	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3402	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3402	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3402	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3402	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3402	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3402	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3402	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3402	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3402	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3402	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3402	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3402	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3402	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3402	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3402	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3402	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3402	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3402	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3402	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3402	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3402	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3402	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3402	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3402	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3402	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3402	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3402	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3402	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3402	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3402	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3402	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3402	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3402	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3402	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3402	NC1CCCCC1	C108918
PADEL_KR3402	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3402	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3402	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3402	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3402	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3402	CCC12N(COC1)COC2	C7747355
PADEL_KR3402	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3402	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3402	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3402	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3402	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3402	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3402	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3402	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3402	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3402	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3402	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3402	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3402	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3402	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3402	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3402	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3402	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3402	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3402	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3402	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3402	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3402	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3402	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3402	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3402	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3402	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3402	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3402	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3402	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3402	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3402	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3402	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3402	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3402	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3402	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3402	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3402	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3402	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3402	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3402	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3402	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3402	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3402	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3402	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3402	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3402	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3402	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3402	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3402	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3402	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3402	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3402	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3402	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3402	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3402	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3402	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3402	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3402	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3402	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3402	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3402	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3402	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3402	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3402	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3402	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3402	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3402	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3402	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3402	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3402	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3402	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3402	CC1COc2ccccc2N1	C32329207
PADEL_KR3402	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3402	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3402	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3402	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3402	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3402	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3403	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3404	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3404	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3404	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3404	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3404	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3404	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3404	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3404	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3404	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3404	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3404	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3404	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3404	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3404	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3404	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3404	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3404	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3404	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3404	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3404	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3404	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3404	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3404	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3404	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3404	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3404	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3404	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3404	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3404	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3404	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3404	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3404	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3404	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3404	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3404	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3404	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3404	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3404	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3404	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3404	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3404	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3404	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3404	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3404	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3404	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3404	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3404	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3404	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3404	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3404	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3404	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3404	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3404	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3404	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3404	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3404	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3404	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3404	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3404	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3404	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3404	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3404	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3404	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3404	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3404	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3404	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3404	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3404	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3405	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3405	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3406	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3406	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3406	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3406	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3407	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3407	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3407	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3407	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3408	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3408	CC(CNCC(C)O)O	C110974
PADEL_KR3408	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3408	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3408	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3408	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3408	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3408	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3408	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3408	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3408	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3408	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3408	OC(CO)CCl	C96242
PADEL_KR3408	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3408	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3408	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3408	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3408	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3408	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3408	OC(C)CN	C78966
PADEL_KR3408	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3408	CC(O)CC(C)(C)O	C107415
PADEL_KR3408	C1CCCCC1O	C108930
PADEL_KR3408	O=C(OC(C)(C)C)C	C540885
PADEL_KR3408	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3408	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3408	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3408	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3408	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3408	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3408	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3408	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3408	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3408	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3408	C(=O)(O)C(C)O	C50215
PADEL_KR3408	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3408	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3408	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3408	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3408	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3408	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3408	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3408	CC(O)COC	C107982
PADEL_KR3408	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3408	C(OCCCC)C1CO1	C2426086
PADEL_KR3408	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3408	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3408	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3408	OCC(C(O)CCC)CC	C94962
PADEL_KR3408	C(C)(C)(O)C#N	C75865
PADEL_KR3408	O(C(C)C)C(=O)C	C108214
PADEL_KR3408	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3408	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3408	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3408	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3408	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3408	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3408	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3408	O=C1OCC(C)O1	C108327
PADEL_KR3408	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3408	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3408	OC(CCCCCC)C	C123966
PADEL_KR3408	O=COC(C)C	C625558
PADEL_KR3408	OC(C)COc1ccccc1	C770354
PADEL_KR3408	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3408	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3408	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3408	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3408	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3408	CC(CO)O	C25322694
PADEL_KR3408	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3408	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3408	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3408	OCC1OCCC1	C97994
PADEL_KR3408	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3408	OC(C)COCCC	C1569013
PADEL_KR3408	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3408	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3408	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3408	OC1CCCC1	C96413
PADEL_KR3408	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3408	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3408	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3408	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3408	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3408	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3408	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3408	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3408	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3408	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3408	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3408	OC(CCCCC)C=C	C3391864
PADEL_KR3408	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3408	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3408	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3408	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3408	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3408	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3408	O=C1OCC(CC)O1	C4437858
PADEL_KR3408	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3408	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3408	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3408	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3408	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3408	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3408	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3408	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3408	CC(O)COCC	C1569024
PADEL_KR3408	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3408	O=C1CCC(O1)CC	C695067
PADEL_KR3408	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3408	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3408	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3408	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3408	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3408	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3408	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3408	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3408	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3408	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3408	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3408	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3408	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3408	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3408	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3408	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3408	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3408	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3408	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3408	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3408	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3408	OC(C)C(=O)OCCCC	C138227
PADEL_KR3408	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3408	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3408	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3408	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3408	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3408	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3408	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3408	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3408	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3408	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3408	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3408	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3408	OCCOCC(C)OCCO	C9003116
PADEL_KR3408	O=C1OC(CCC)CC1	C105215
PADEL_KR3408	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3408	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3408	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3408	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3408	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3408	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3408	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3408	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3408	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3408	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3408	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3408	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3408	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3408	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3408	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3408	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3408	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3408	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3408	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3408	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3408	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3408	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3408	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3408	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3408	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3408	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3408	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3408	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3408	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3408	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3408	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3408	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3408	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3408	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3408	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3408	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3408	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3408	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3408	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3408	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3408	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3408	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3408	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3408	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3408	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3408	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3408	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3408	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3408	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3408	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3408	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3408	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3408	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3408	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3408	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3408	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3408	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3408	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3408	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3408	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3408	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3408	OCC(O)CO	C56815
PADEL_KR3408	OCC1CO1	C556525
PADEL_KR3408	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3408	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3408	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3408	CC(CO)O	C57556
PADEL_KR3408	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3408	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3408	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3408	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3408	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3408	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3408	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3408	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3408	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3408	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3408	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3408	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3408	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3408	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3408	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3408	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR3408	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3408	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3408	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3408	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3408	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3408	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3408	OC(CCl)CCl	C96231
PADEL_KR3408	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3408	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3408	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3408	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3408	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3408	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3408	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3408	OCCC(O)C	C107880
PADEL_KR3408	OC(CC(C)C)C	C108112
PADEL_KR3408	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3408	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3408	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3408	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3408	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3408	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3408	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3408	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3408	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3408	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3408	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3408	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3408	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3408	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3408	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3408	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3408	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3408	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3408	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3408	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3408	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3408	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3408	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3408	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3408	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3408	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3408	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3408	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3408	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3408	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3408	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3408	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3408	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3408	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3408	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR3408	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3408	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3408	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3408	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3408	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3408	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3408	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3408	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3408	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3408	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3408	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3408	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3408	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3408	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3408	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3408	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3408	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3408	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3408	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3408	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3408	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3408	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3408	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3408	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3408	OCCC(OC)C	C2517433
PADEL_KR3408	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3408	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3408	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3408	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3408	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3408	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3408	CCC1CO1	C106887
PADEL_KR3408	CC1CC(=O)O1	C3068880
PADEL_KR3408	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3408	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3408	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3408	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3408	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3408	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3408	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3408	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3408	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3408	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3408	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3408	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3408	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3408	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3408	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3408	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3408	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3408	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3408	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3408	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3408	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3408	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3408	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3408	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3408	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3408	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3408	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3408	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3408	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3408	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3408	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3408	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3408	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3408	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3408	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3408	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3408	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3408	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3408	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3408	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3408	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3408	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3409	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3409	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3409	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3409	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3409	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3409	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3409	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3409	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3409	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3410	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3410	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3410	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3410	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3410	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3410	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3410	O=C(OC(C)(C)C)C	C540885
PADEL_KR3410	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3410	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3410	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3410	O(C(C)C)C(=O)C	C108214
PADEL_KR3410	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3410	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3410	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3410	O=C1OCC(C)O1	C108327
PADEL_KR3410	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3410	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3410	O=COC(C)C	C625558
PADEL_KR3410	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3410	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3410	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3410	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3410	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3410	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3410	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3410	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3410	O=C1OCC(CC)O1	C4437858
PADEL_KR3410	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3410	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3410	O=C1CCC(O1)CC	C695067
PADEL_KR3410	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3410	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3410	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3410	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3410	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3410	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3410	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3410	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3410	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3410	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3410	O=C1OC(CCC)CC1	C105215
PADEL_KR3410	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3410	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3410	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3410	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3410	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3410	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3410	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3410	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3410	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3410	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3410	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3410	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3410	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3410	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3410	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3410	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3410	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3410	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3410	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3410	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3410	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3410	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3410	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3410	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3410	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3410	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3410	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3410	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3410	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3410	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3410	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3410	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3410	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3410	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3410	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3410	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3410	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3410	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3410	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3410	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3410	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3410	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3410	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3410	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3410	CC1CC(=O)O1	C3068880
PADEL_KR3410	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3410	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3410	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3410	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3410	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3410	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3410	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3410	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3410	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3410	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3410	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3410	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3410	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3410	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3410	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3412	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3412	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3412	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3412	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3412	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3412	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3413	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3413	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3413	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3413	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3413	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3413	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3413	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3413	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3413	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3413	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3414	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3414	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3414	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3414	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3414	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3414	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3414	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3414	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3414	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3414	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3414	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3414	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3414	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3414	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3414	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3414	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3414	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3415	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3415	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3415	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3415	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3415	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3415	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3415	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3415	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3415	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3415	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3415	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3415	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3415	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3415	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3415	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3415	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3415	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3415	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3415	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3415	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3415	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3415	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3415	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3415	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3416	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3418	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3418	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3418	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3418	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3418	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3418	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3418	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3418	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3418	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3418	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3418	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3418	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3418	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3418	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3419	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3419	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3419	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3419	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3419	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3419	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3419	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3419	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3419	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3421	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3425	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3425	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3425	C(=O)(O)C(C)O	C50215
PADEL_KR3425	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3425	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3425	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3425	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3425	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3425	OC(C)C(=O)OCCCC	C138227
PADEL_KR3425	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3425	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3425	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3425	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3425	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3425	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3425	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3425	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3425	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3425	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3425	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3425	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3425	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3425	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3425	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3425	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3425	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3425	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3425	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3425	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3425	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3425	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3425	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3425	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3425	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3425	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3425	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3425	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3426	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3426	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3426	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3426	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3426	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3426	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3426	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3426	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3426	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3426	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3426	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3426	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3426	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3426	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3426	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3427	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3427	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3427	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3427	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3427	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3427	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3427	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3427	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3427	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3427	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3427	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3427	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3427	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3427	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3428	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3428	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3428	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3428	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3428	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3428	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3428	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3428	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3428	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3428	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3428	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3428	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3428	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3428	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3428	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3428	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3428	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3428	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3428	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3428	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3430	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3430	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3430	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3430	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3430	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3430	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3430	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3430	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3430	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3430	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3430	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3430	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3430	OC(CO)c1ccccc1	C93561
PADEL_KR3430	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3430	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3430	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3430	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3430	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3430	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3430	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3430	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3430	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3430	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3430	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3430	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3430	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3430	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3430	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3430	C1C(c2ccccc2)O1	C96093
PADEL_KR3430	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3430	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3430	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3430	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3430	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3430	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3430	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3430	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3430	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3430	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3430	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3430	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3430	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3430	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3430	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3430	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3430	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3430	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3430	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3430	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3430	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3430	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3430	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3430	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3430	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3430	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3433	OC(CO)CCl	C96242
PADEL_KR3433	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3433	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3433	OC(CCl)CCl	C96231
PADEL_KR3433	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3434	CC(CNCC(C)O)O	C110974
PADEL_KR3434	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3434	OC(C)CN	C78966
PADEL_KR3434	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3434	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3434	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3434	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3434	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3434	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3434	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3434	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3434	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3434	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3434	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3434	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3434	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3434	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3434	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3434	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3434	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3434	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3434	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3434	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3434	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3434	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3434	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3434	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3434	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3434	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3434	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3434	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3434	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3434	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3434	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3434	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3434	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3434	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3434	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3435	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3435	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3435	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3435	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3435	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3435	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3435	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3435	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3435	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3435	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3435	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3435	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3435	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3435	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3435	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3435	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3435	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3436	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3436	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3436	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3436	OC(CO)CCl	C96242
PADEL_KR3436	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3436	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3436	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3436	C(=O)(O)C(C)O	C50215
PADEL_KR3436	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3436	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3436	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3436	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3436	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3436	CC(O)COC	C107982
PADEL_KR3436	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3436	C(OCCCC)C1CO1	C2426086
PADEL_KR3436	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3436	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3436	O=C1OCC(C)O1	C108327
PADEL_KR3436	OC(C)COc1ccccc1	C770354
PADEL_KR3436	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3436	CC(CO)O	C25322694
PADEL_KR3436	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3436	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3436	OCC1OCCC1	C97994
PADEL_KR3436	OC(C)COCCC	C1569013
PADEL_KR3436	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3436	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3436	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3436	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3436	O=C1OCC(CC)O1	C4437858
PADEL_KR3436	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3436	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3436	CC(O)COCC	C1569024
PADEL_KR3436	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3436	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3436	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3436	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3436	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3436	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3436	OC(C)C(=O)OCCCC	C138227
PADEL_KR3436	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3436	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3436	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3436	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3436	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3436	OCCOCC(C)OCCO	C9003116
PADEL_KR3436	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3436	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3436	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3436	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3436	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3436	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3436	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3436	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3436	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3436	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3436	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3436	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3436	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3436	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3436	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3436	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3436	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3436	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3436	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3436	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3436	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3436	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3436	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3436	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3436	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3436	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3436	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3436	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3436	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3436	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3436	OCC(O)CO	C56815
PADEL_KR3436	OCC1CO1	C556525
PADEL_KR3436	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3436	CC(CO)O	C57556
PADEL_KR3436	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3436	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3436	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3436	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3436	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3436	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3436	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3436	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3436	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3436	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3436	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3436	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3436	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3436	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3436	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3436	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3436	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3436	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3436	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3436	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3436	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3436	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3436	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3436	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3436	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3436	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3436	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3436	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3436	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3436	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3436	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3436	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3436	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3436	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3436	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3436	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3436	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3436	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3436	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3436	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3436	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3436	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3436	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3436	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3436	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3436	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3436	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3436	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3436	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3436	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3436	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3436	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3436	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3436	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3436	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3436	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3440	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3440	C=CC#N	C107131
PADEL_KR3440	C=CCO	C107186
PADEL_KR3440	C=CCN=C=S	C57067
PADEL_KR3440	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3440	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3440	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3440	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3440	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3440	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3440	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3440	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3440	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3440	C=CCc1ccc(cc1)OC	C140670
PADEL_KR3440	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3440	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3440	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3440	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR3440	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3440	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3440	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3440	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3440	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3440	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3440	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3440	C=CC(Cl)CCl	C760236
PADEL_KR3440	C=CC(=O)OCCO	C818611
PADEL_KR3440	CC/C=C\CCO	C928961
PADEL_KR3440	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3440	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3440	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3440	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3440	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3440	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3440	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3440	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3440	CC(=C)C#N	C126987
PADEL_KR3440	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3440	O=C(OCCCC)C=C	C141322
PADEL_KR3440	O=C/C=C/c1ccccc1	C14371109
PADEL_KR3440	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3440	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3440	CCC(=CCCC)C=O	C645625
PADEL_KR3440	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3440	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3440	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3440	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3440	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3440	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3440	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3440	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3440	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3440	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3440	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3440	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3440	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3440	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3440	C1=CC=CC1	C542927
PADEL_KR3440	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3440	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3440	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3440	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR3440	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3440	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3440	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3440	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3440	O=C(C=C(C)C)C	C141797
PADEL_KR3440	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3440	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3440	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3440	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3440	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3440	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3440	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3440	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3440	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3440	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3440	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3440	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3440	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3440	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3440	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3440	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3440	OC(CCCCC)C=C	C3391864
PADEL_KR3440	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3440	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3440	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3440	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR3440	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3440	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3440	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3440	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3440	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3440	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3440	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR3440	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3440	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3440	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3440	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3440	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3440	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3440	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR3440	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3440	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3440	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3440	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3440	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3440	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3440	O=C/C=C/CCC	C6728263
PADEL_KR3440	O1C=CCCC1	C110872
PADEL_KR3440	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3440	OCC=Cc1ccccc1	C104541
PADEL_KR3440	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3440	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3440	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3440	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3440	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3440	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3440	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3440	c12ccccc1CC=C2	C95136
PADEL_KR3440	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3440	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3440	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3440	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3440	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3440	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3440	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3440	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3440	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3440	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3440	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3440	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3440	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3440	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3440	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3440	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3440	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3440	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3440	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3440	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3440	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3440	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3440	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3440	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3440	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3440	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3440	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3440	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3440	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3440	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3440	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3440	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3440	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3440	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3440	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3440	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3440	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3440	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3440	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3440	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3440	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3440	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3440	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3440	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3440	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3440	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3440	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3440	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3440	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3440	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3440	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3440	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3440	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3440	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3440	NC(=O)C=C	C79061
PADEL_KR3440	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3440	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR3440	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3440	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3440	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3440	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3440	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3440	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3440	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3440	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3440	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3440	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3440	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3440	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3440	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3440	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3440	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3440	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3440	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3440	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3440	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3440	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3440	OC(=O)C=CC=CC	C110441
PADEL_KR3440	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3440	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR3440	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3440	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3440	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3440	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3440	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3440	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3440	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3440	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3440	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3440	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR3440	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3440	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3440	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3440	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3440	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3440	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3440	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3440	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR3440	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3440	O=C(N)C(=C)C	C79390
PADEL_KR3440	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3440	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3440	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3440	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3440	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3440	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3440	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3440	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3440	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3440	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3440	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3440	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3440	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3440	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3440	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3440	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR3440	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3440	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3440	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3440	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3440	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3440	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3440	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3440	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3440	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3440	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3440	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3440	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3440	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3440	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3440	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3440	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3440	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3440	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3440	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3440	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3440	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3440	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3440	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3440	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3440	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3440	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3440	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3440	O=CC=CC=CCCCCC	C25152845
PADEL_KR3440	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3440	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3440	OCC=C(C)C	C556821
PADEL_KR3440	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3440	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3440	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3440	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3440	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3440	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3440	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3440	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3440	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3440	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3440	O=CCCCCCCCCC=C	C112458
PADEL_KR3440	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3440	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3440	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3440	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3440	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3440	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3440	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3440	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3440	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3440	O=C(OCCCCO)C=C	C2478106
PADEL_KR3440	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3440	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3440	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3440	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3440	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3440	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3440	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3440	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3440	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3440	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3440	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3440	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3440	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3440	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3440	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3440	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3440	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3441	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3441	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3441	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3441	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3441	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3441	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3441	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3441	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3441	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3441	O=C(C=C(C)C)C	C141797
PADEL_KR3441	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3441	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3441	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3441	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3441	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3441	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3441	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3441	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3441	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3441	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3441	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3441	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3441	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3441	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3441	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3441	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3441	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3441	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3441	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3441	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3441	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3441	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3441	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3441	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3441	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3441	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3441	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3441	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3441	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3441	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3441	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3441	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3441	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3441	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3441	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3441	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3441	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3441	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3441	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3441	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3442	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3442	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3442	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3442	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3442	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3442	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3442	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3442	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3442	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3442	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3442	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3442	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3442	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3442	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3442	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3442	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3442	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3442	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3443	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3443	ON=C1CCCCC1	C100641
PADEL_KR3443	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3443	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3443	ON=CCCC	C110690
PADEL_KR3443	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3443	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3443	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3443	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3443	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3443	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3443	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3443	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3443	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3443	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3443	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3443	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3443	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3443	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3443	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3443	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3443	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3443	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3443	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3443	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3443	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3443	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3443	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3443	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3443	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3443	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3443	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3443	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3443	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3443	CCC(=NO)C	C96297
PADEL_KR3443	ON=CC(C)(C)SC	C1646759
PADEL_KR3443	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3443	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3443	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3443	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3443	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3444	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3444	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3444	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3444	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3444	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3444	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3444	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3444	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3446	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3446	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3446	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3446	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3448	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3448	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3450	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3450	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3450	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3450	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3450	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3450	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3452	ON=C1CCCCC1	C100641
PADEL_KR3452	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3452	ON=CCCC	C110690
PADEL_KR3452	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3452	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3452	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3452	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3452	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3452	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3452	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3452	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3452	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3452	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3452	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3452	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3452	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3452	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3452	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3452	CCC(=NO)C	C96297
PADEL_KR3452	ON=CC(C)(C)SC	C1646759
PADEL_KR3452	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3453	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3453	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3453	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3453	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3453	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3453	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3455	CC(=O)N	C60355
PADEL_KR3455	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3455	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3455	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3455	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3455	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3455	CC(=O)OCc1ccccc1	C140114
PADEL_KR3455	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3455	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3455	O=CCCl	C107200
PADEL_KR3455	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3455	O=C1CCCCC1	C108941
PADEL_KR3455	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3455	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3455	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3455	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3455	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3455	CN(C)C(=O)C	C127195
PADEL_KR3455	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3455	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3455	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3455	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3455	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3455	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3455	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3455	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3455	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3455	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3455	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3455	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3455	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3455	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3455	O=CCc1ccccc1	C122781
PADEL_KR3455	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3455	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3455	CCCCCCCCCC=O	C112312
PADEL_KR3455	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3455	O=CCCCCCC	C111717
PADEL_KR3455	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3455	CCCCCCCCC=O	C124196
PADEL_KR3455	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3455	OC(=O)CCCC	C109524
PADEL_KR3455	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3455	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3455	CCCC(=O)C	C107879
PADEL_KR3455	CCCCCC(=O)C	C110430
PADEL_KR3455	CCCCCCCCCC(=O)C	C112129
PADEL_KR3455	CCCCCC(=O)OCC	C123660
PADEL_KR3455	O=C(OC(C)(C)C)C	C540885
PADEL_KR3455	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3455	C=CC(=O)OCCO	C818611
PADEL_KR3455	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3455	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3455	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3455	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3455	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3455	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3455	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3455	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3455	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3455	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3455	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3455	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3455	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3455	C(=O)(O)C(C)O	C50215
PADEL_KR3455	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3455	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3455	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3455	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3455	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3455	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3455	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3455	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3455	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3455	[Na+].[O-]C(=O)CF	C62748
PADEL_KR3455	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3455	O=C(OCCCC)C=C	C141322
PADEL_KR3455	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3455	O=C/C=C/c1ccccc1	C14371109
PADEL_KR3455	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3455	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3455	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3455	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3455	C(CC)(C=O)CCCC	C123057
PADEL_KR3455	CCC(=CCCC)C=O	C645625
PADEL_KR3455	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3455	O=CCCCC=O	C111308
PADEL_KR3455	C(=O)(O)CO	C79141
PADEL_KR3455	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3455	O(C(C)C)C(=O)C	C108214
PADEL_KR3455	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3455	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3455	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3455	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3455	C(=O)(O)C(=O)O	C144627
PADEL_KR3455	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3455	O=C(O)CS	C68111
PADEL_KR3455	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3455	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3455	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3455	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3455	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3455	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3455	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3455	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3455	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3455	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3455	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3455	O=C(C)OCCOCCCC	C112072
PADEL_KR3455	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3455	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3455	O=C1NCCC1	C616455
PADEL_KR3455	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3455	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3455	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3455	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3455	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3455	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3455	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3455	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3455	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3455	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3455	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3455	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3455	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3455	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3455	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3455	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3455	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3455	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3455	O=C1CCCC1	C120923
PADEL_KR3455	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3455	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3455	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3455	O=C(C=C(C)C)C	C141797
PADEL_KR3455	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3455	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3455	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3455	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3455	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3455	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3455	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3455	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3455	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3455	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3455	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3455	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3455	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3455	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3455	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3455	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3455	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3455	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3455	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3455	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3455	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3455	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3455	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3455	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3455	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3455	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3455	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3455	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3455	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3455	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3455	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3455	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3455	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3455	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3455	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3455	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3455	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3455	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3455	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3455	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3455	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3455	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3455	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3455	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3455	O=C(CC)OCC	C105373
PADEL_KR3455	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3455	O=C(c1ccccc1O)C	C118934
PADEL_KR3455	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3455	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3455	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3455	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3455	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3455	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3455	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3455	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3455	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3455	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3455	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3455	O=C1CCC(O1)CC	C695067
PADEL_KR3455	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3455	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3455	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3455	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3455	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3455	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3455	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3455	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3455	O=C/C=C/CCC	C6728263
PADEL_KR3455	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3455	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3455	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3455	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3455	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3455	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3455	O=C(CCC)OCCCCC	C540181
PADEL_KR3455	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3455	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3455	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3455	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3455	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3455	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3455	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3455	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3455	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3455	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3455	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3455	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3455	O=C(CC)CCCCC	C106683
PADEL_KR3455	O=C(CF)O	C144490
PADEL_KR3455	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3455	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3455	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3455	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3455	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3455	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3455	OC(C)C(=O)OCCCC	C138227
PADEL_KR3455	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3455	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3455	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3455	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3455	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3455	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3455	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3455	O=C(C)OCCCCCCCC	C112141
PADEL_KR3455	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3455	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3455	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR3455	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3455	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3455	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3455	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3455	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3455	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3455	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3455	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3455	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3455	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3455	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3455	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3455	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3455	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3455	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3455	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3455	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3455	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3455	O=C1OC(CCC)CC1	C105215
PADEL_KR3455	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3455	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3455	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3455	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3455	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3455	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3455	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3455	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3455	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3455	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3455	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3455	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3455	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3455	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3455	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3455	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3455	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3455	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3455	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3455	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3455	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3455	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3455	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3455	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3455	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3455	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3455	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3455	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3455	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3455	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3455	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3455	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3455	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3455	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3455	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3455	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3455	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3455	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3455	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3455	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3455	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3455	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3455	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3455	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3455	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3455	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3455	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3455	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3455	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3455	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3455	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3455	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3455	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3455	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3455	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3455	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3455	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3455	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3455	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3455	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3455	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3455	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3455	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3455	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3455	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3455	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3455	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3455	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3455	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3455	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3455	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3455	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3455	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3455	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3455	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3455	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3455	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3455	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3455	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3455	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3455	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3455	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3455	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3455	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3455	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3455	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3455	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3455	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3455	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3455	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3455	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3455	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3455	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3455	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3455	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3455	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3455	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3455	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3455	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3455	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3455	NC(=O)C=C	C79061
PADEL_KR3455	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3455	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3455	O=C1CCCO1	C96480
PADEL_KR3455	O=C1CCCCCN1	C105602
PADEL_KR3455	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3455	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3455	O=C(c1ccccc1)CCl	C532274
PADEL_KR3455	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3455	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3455	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3455	OC(=O)C(Cl)Cl	C79436
PADEL_KR3455	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3455	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3455	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3455	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3455	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3455	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3455	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3455	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3455	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3455	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3455	O=C1N(CCC1)C	C872504
PADEL_KR3455	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3455	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3455	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3455	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3455	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3455	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR3455	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3455	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3455	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3455	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3455	OC(=O)C=CC=CC	C110441
PADEL_KR3455	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3455	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3455	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3455	O=C1N(C=C)CCC1	C88120
PADEL_KR3455	OC(=O)CCC	C107926
PADEL_KR3455	CCCCCCCCCC(=O)O	C334485
PADEL_KR3455	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3455	O=C(O)CCCCCC	C111148
PADEL_KR3455	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3455	CCCCCC(=O)O	C142621
PADEL_KR3455	CCCCCCCCC(=O)O	C112050
PADEL_KR3455	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3455	CCCCCCCC=O	C124130
PADEL_KR3455	CCCCCCCC(=O)O	C124072
PADEL_KR3455	CCCCC=O	C110623
PADEL_KR3455	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3455	c1ccccc1C(=O)C	C98862
PADEL_KR3455	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3455	CC(=O)OCCOCC	C111159
PADEL_KR3455	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3455	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3455	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3455	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3455	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3455	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3455	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3455	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3455	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3455	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3455	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3455	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3455	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3455	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3455	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3455	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3455	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3455	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3455	O=C(O)C(CCCC)CC	C149575
PADEL_KR3455	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3455	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3455	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3455	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3455	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3455	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3455	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3455	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3455	O=C(OC)CCCCCCC	C111115
PADEL_KR3455	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3455	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3455	O=C(C)OCCCCC	C628637
PADEL_KR3455	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3455	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3455	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3455	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3455	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3455	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3455	O=C(OC)CC(=O)OC	C108598
PADEL_KR3455	O=C(N)C(=C)C	C79390
PADEL_KR3455	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3455	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3455	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3455	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3455	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3455	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3455	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3455	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3455	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3455	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3455	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3455	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3455	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3455	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3455	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3455	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3455	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3455	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3455	O=C(CCC)OCC	C105544
PADEL_KR3455	O=C(OCC)CCCCCC	C106309
PADEL_KR3455	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3455	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3455	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3455	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3455	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3455	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3455	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3455	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3455	O=C(C)NC	C79163
PADEL_KR3455	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3455	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3455	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3455	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3455	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3455	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3455	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3455	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3455	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3455	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3455	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3455	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3455	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3455	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3455	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3455	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3455	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3455	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3455	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3455	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3455	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3455	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3455	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3455	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3455	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3455	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3455	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3455	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3455	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3455	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3455	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3455	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3455	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3455	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3455	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3455	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3455	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3455	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3455	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3455	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3455	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3455	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3455	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3455	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3455	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3455	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3455	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3455	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3455	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3455	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3455	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3455	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3455	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3455	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3455	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3455	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3455	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3455	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3455	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3455	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3455	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3455	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3455	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3455	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3455	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3455	C(=O)(C)O	C64197
PADEL_KR3455	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3455	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3455	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3455	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3455	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3455	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3455	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3455	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3455	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3455	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3455	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3455	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3455	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3455	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3455	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3455	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3455	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3455	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3455	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3455	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3455	O=CCCSC	C3268493
PADEL_KR3455	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3455	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3455	CC(=O)OCC	C141786
PADEL_KR3455	CC(=O)OCCCC	C123864
PADEL_KR3455	CC(=O)CCC(C)C	C110123
PADEL_KR3455	CC(=O)CC(C)C	C108101
PADEL_KR3455	CC(C)C=O	C78842
PADEL_KR3455	CCCCCC=O	C66251
PADEL_KR3455	CCCC=O	C123728
PADEL_KR3455	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3455	CC1CC(=O)O1	C3068880
PADEL_KR3455	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3455	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3455	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3455	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3455	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3455	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3455	O=C(CCl)CCl	C534076
PADEL_KR3455	CC(=O)C(=O)O	C127173
PADEL_KR3455	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3455	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3455	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3455	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3455	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3455	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3455	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3455	O=CC=CC=CCCCCC	C25152845
PADEL_KR3455	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3455	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3455	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3455	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3455	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3455	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3455	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3455	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3455	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3455	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3455	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3455	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3455	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3455	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3455	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3455	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3455	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3455	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3455	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3455	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3455	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3455	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3455	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3455	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3455	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3455	O=CCCCCCCCCC=C	C112458
PADEL_KR3455	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3455	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3455	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3455	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3455	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3455	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3455	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3455	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3455	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3455	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3455	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3455	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3455	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3455	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR3455	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3455	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3455	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3455	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3455	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3455	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3455	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3455	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3455	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3455	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3455	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3455	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3455	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3455	O=C(OCCCCO)C=C	C2478106
PADEL_KR3455	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3455	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3455	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3455	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3455	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3455	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3455	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3455	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3455	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3455	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3455	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3455	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3455	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3455	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3455	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3455	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3455	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3455	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3455	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3455	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3455	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3455	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3455	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3455	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3455	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3455	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR3455	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3455	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3455	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3455	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3455	CCC(=O)C(=O)CC	C4437518
PADEL_KR3455	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3458	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3466	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3467	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3467	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3467	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3467	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3467	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3467	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3467	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3467	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3467	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3467	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3467	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3467	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3467	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3467	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3467	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3467	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3467	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3468	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3468	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3468	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3468	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3468	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3468	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3468	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3468	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3468	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3468	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3468	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3468	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3468	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3468	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3468	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3469	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3474	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3474	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3474	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3474	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3474	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3474	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3474	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3474	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3474	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3474	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3478	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3482	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3482	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3482	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3488	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR3488	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3489	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3490	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3490	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3490	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3490	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3490	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR3490	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3495	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR3496	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR3496	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR3496	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3497	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR3497	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3497	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3504	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3504	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3504	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3505	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3505	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3510	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3510	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3510	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3510	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3510	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3510	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3510	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3510	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3510	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3510	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3510	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3510	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR3510	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3510	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3510	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3510	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3510	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3510	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR3510	Cc1cc(C)cc(C)c1	C108678
PADEL_KR3510	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3510	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3510	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3510	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3510	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3510	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3510	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3512	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3512	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR3512	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR3512	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3513	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3515	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3515	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR3515	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR3515	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3515	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3516	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3516	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3516	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3516	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3516	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3516	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3516	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3516	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3516	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3516	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3516	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR3516	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3516	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3516	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3516	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3516	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3516	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3516	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3517	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3517	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3517	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR3517	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3517	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3517	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3517	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3520	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3520	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3520	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3520	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3520	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3520	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3520	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3520	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3520	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3520	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3520	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3520	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3520	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR3520	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR3523	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3523	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3524	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3524	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3524	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3524	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3524	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3524	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3525	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3525	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3528	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3528	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3528	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR3528	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR3528	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3528	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3528	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3528	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3528	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3528	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3528	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3528	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3528	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3528	Cc1c(ccc(c1)C)C	C95636
PADEL_KR3528	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR3528	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3528	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3528	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3528	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3528	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3528	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3528	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3528	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3528	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3528	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3528	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3528	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3528	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3528	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3528	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3528	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3529	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3529	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3529	C=Cc1ccc(cc1)C	C622979
PADEL_KR3529	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3529	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR3529	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3529	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3529	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR3529	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3529	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3529	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR3529	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR3529	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3529	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3529	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3529	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR3529	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3529	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR3529	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3529	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3529	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3529	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR3529	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3529	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3529	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3529	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3529	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3529	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3529	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3529	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3529	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3529	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3529	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3529	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3529	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3529	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3529	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR3529	Cc1c(ccc(c1)C)C	C95636
PADEL_KR3529	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR3529	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3529	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3529	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3529	Oc1c(ccc(C)c1)C	C95874
PADEL_KR3529	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3529	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3529	CC(C)c1ccc(C)cc1	C99876
PADEL_KR3529	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3529	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3529	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3529	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3529	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3529	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3529	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3529	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3529	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3529	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3529	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3529	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3529	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3529	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3529	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3529	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3529	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3529	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3529	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3529	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3529	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3529	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3529	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3529	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3529	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3529	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3529	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3529	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3529	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3529	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3529	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3531	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3531	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3531	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3534	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR3534	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3534	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3534	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3534	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3534	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3534	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3534	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3534	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3534	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3534	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3534	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3534	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3534	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3534	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3534	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3534	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3534	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3534	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3534	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3534	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3534	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3534	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3534	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3534	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3534	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3534	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3534	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3534	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3535	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3536	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR3536	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3536	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR3536	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR3536	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR3536	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR3536	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3536	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR3536	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3536	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3537	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR3537	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3537	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3537	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3537	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3537	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3537	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3537	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3537	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3537	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3537	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3537	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3537	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3537	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3537	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3537	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3537	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3537	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3538	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3538	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3538	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3540	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR3540	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3540	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3540	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3540	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3540	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR3540	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3540	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3541	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3541	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3541	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3541	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3542	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR3542	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR3542	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3542	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3542	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3542	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3543	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR3543	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR3543	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3543	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3543	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR3543	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3543	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR3543	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR3543	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3543	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR3543	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3543	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3543	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3543	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3543	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3543	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR3543	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3543	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3543	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3543	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3543	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3543	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3543	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3544	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3546	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3546	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR3546	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3546	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3546	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR3546	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3546	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3546	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR3546	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3546	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3546	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3546	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3546	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3546	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3546	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3546	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3546	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3546	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3546	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3546	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3546	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3546	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3546	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3546	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3546	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3546	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR3546	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3546	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3546	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3546	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3546	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3546	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3546	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3546	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3546	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3546	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3546	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3546	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3546	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3546	Cc1ccc(Cl)cc1	C106434
PADEL_KR3546	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR3546	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3546	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3546	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3546	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3546	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3546	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3546	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3546	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3546	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3546	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3546	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3546	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3546	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3546	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3546	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR3546	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3546	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3546	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3546	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3546	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3546	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3546	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR3546	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3546	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3546	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3546	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3546	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3547	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3547	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3547	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3547	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3547	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3547	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3547	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3547	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3547	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3547	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3547	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3547	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3547	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3547	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3547	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3547	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3547	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3548	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3548	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3548	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3548	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3548	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3548	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3548	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3548	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3548	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3548	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3548	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3548	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3548	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3548	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3548	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3548	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3548	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3548	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3548	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR3549	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3550	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3550	Clc1c(ccc(c1)N)C	C95749
PADEL_KR3550	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3550	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR3550	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3550	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3550	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3550	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3550	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3550	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR3550	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3550	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR3550	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3550	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3550	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3550	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3550	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR3550	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR3550	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3550	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3550	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR3550	Nc1ccc(CCC)cc1	C2696846
PADEL_KR3550	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3550	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR3550	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3550	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3550	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3550	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3550	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3550	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3550	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3550	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3550	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3550	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR3550	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3550	Nc1c(ccc(c1)N)C	C95807
PADEL_KR3550	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR3550	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3550	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3550	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR3550	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR3550	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR3550	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR3550	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR3550	CN(C)c1ccc(C)cc1	C99978
PADEL_KR3550	Nc1ccc(C)cc1	C106490
PADEL_KR3550	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR3550	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3550	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3550	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR3550	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3550	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR3550	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR3550	Nc1cc(C)ccc1N	C496720
PADEL_KR3550	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR3550	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR3550	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3550	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3550	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3550	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3550	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3550	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3550	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3550	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3550	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3550	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3550	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3550	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3550	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3550	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR3550	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3550	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR3550	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3550	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3550	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3550	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3550	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3550	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3550	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3550	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3550	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3550	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3553	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3553	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3553	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3553	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3553	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3553	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3553	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3553	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3553	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3554	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3554	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3554	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3554	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3554	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3554	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3554	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3554	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3554	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3554	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3554	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3554	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3554	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3554	Oc1c(C)cc(C)cc1	C105679
PADEL_KR3554	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR3554	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3554	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3554	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3554	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3554	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3554	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3554	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3554	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3554	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3554	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3554	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3554	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3557	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR3557	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3559	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3559	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3559	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR3559	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3559	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3559	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3559	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3559	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3559	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3559	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3559	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3559	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3559	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3559	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR3559	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR3559	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3559	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3559	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3559	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3559	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3559	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3559	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3559	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3559	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3559	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3559	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3559	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3559	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3559	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3559	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3559	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3559	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR3559	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR3559	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3560	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3560	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3560	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3560	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3560	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3560	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3560	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3560	C=CCc1ccc(cc1)OC	C140670
PADEL_KR3560	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3560	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3560	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3560	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3560	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3560	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR3560	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3560	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3560	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3560	Oc1ccc(CC)cc1	C123079
PADEL_KR3560	Oc1ccc(CCC)cc1	C645567
PADEL_KR3560	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3560	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3560	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3560	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3560	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3560	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3560	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR3560	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR3560	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR3560	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3560	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3560	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3560	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR3560	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3560	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3560	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3560	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3560	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR3560	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3560	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3560	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3560	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3560	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3560	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR3560	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3560	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR3560	O=Cc1ccc(OC)cc1	C123115
PADEL_KR3560	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR3560	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3560	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3560	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3560	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3560	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3560	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3560	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3560	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3560	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3560	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3560	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3560	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3560	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3560	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3560	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3560	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3560	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR3560	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3560	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR3560	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3560	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3560	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3560	COc1ccc(CCC)cc1	C104450
PADEL_KR3560	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR3560	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR3560	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3560	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3560	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3560	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3560	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3560	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR3560	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3560	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3560	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3560	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3560	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3560	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3560	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3560	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR3560	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3560	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3560	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3560	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3560	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3560	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3560	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3560	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3560	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR3560	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3560	Nc1cc(ccc1OC)C	C120718
PADEL_KR3560	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3560	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3560	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3560	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3560	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3560	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3560	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3560	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3560	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3560	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3560	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3560	Oc1c(C)cc(C)cc1	C105679
PADEL_KR3560	Oc1ccc(C)cc1	C106445
PADEL_KR3560	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR3560	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR3560	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3560	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3560	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR3560	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3560	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR3560	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3560	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3560	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3560	Oc1cc(C)c(C)cc1	C95658
PADEL_KR3560	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3560	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR3560	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3560	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3560	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3560	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3560	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3560	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3560	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3560	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3560	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3560	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3560	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3560	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3560	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3560	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR3560	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3560	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3560	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3560	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3560	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3560	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3560	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3560	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3560	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3560	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3560	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3560	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3560	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3560	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3560	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3560	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3560	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3560	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3560	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3560	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3560	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3560	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3560	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR3560	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3560	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3560	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3560	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR3560	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3560	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR3560	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3560	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3560	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3560	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3560	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3560	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3560	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3560	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3560	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3560	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3560	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR3560	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3560	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR3560	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR3560	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR3560	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3560	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3560	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3560	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3560	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR3560	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3560	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3560	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3560	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3560	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3560	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3560	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3560	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3560	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR3560	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3560	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR3560	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3560	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3560	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3560	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3560	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3560	O=COCc1ccc(OC)cc1	C122918
PADEL_KR3561	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3561	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3561	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3561	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3561	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3561	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3561	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3561	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3561	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3561	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3561	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3561	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3561	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3561	Oc1cc(C)c(C)cc1	C95658
PADEL_KR3561	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3561	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3561	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3561	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3561	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3561	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3561	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3561	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3561	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3561	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3561	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3563	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3563	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3564	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3564	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3564	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3568	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR3568	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR3568	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR3568	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3568	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3568	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3568	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3568	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR3568	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR3568	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3568	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR3569	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3569	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3572	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3572	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3572	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3572	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3572	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3572	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3572	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3572	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3573	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3573	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR3573	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR3573	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3573	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR3573	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3573	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3573	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR3573	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3573	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3573	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3574	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3574	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3574	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3574	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR3574	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3574	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3574	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3574	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR3574	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR3574	Cc1cc(C)cc(O)c1	C108689
PADEL_KR3574	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3574	Cc1cccc(C)c1	C108383
PADEL_KR3574	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3574	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR3574	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3574	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3574	Nc1c(C)cccc1CC	C24549062
PADEL_KR3574	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR3574	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR3574	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3574	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR3574	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3574	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3574	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3574	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3574	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3574	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3574	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3574	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3574	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3574	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3574	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR3574	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3574	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR3574	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3574	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3574	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3574	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3574	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3574	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3574	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR3574	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3574	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3574	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3574	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3574	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3574	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3574	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3574	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3574	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3574	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3574	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3574	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3574	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3574	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3574	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR3574	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3574	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3574	Cc1c(ccc(c1)C)C	C95636
PADEL_KR3574	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR3574	Oc1c(C)cc(C)cc1	C105679
PADEL_KR3574	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR3574	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR3574	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3574	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3574	Oc1c(cccc1C)C	C576261
PADEL_KR3574	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3574	Nc1c(cccc1C)C	C87627
PADEL_KR3574	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3574	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR3574	Cc1cc(C)cc(C)c1	C108678
PADEL_KR3574	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3574	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3574	Nc1c(CC)cccc1CC	C579668
PADEL_KR3574	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3574	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3574	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR3574	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3574	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3574	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3574	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3574	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3574	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3574	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3574	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3574	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3574	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3574	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3574	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3574	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3574	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3574	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3574	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3574	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3574	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3574	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3574	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3574	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3574	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3574	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3574	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3574	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3574	NCc1cccc(CN)c1	C1477550
PADEL_KR3574	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3574	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3574	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3574	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3574	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3574	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3574	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3574	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3574	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3574	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3574	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3574	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3574	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3574	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3575	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR3575	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3575	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3575	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3575	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3577	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3577	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3577	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3577	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3577	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3577	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3577	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3577	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3577	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3577	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3577	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3577	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3577	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3577	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3577	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3578	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR3578	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3578	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3578	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3579	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3579	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR3579	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3579	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3579	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3579	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3579	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3579	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3579	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3579	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3579	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3579	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3579	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3579	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3579	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR3579	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3579	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3579	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3579	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR3579	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3579	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3579	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3579	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3579	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3579	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3579	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3579	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3579	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3579	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3579	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3579	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3579	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3580	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3580	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3580	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3580	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3580	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3580	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3580	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3580	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3580	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3580	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3580	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR3580	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR3580	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3580	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR3580	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR3580	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR3580	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3580	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR3580	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR3580	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3580	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3580	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3580	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3580	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3580	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3580	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3580	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3580	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3581	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3581	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3581	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3581	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3581	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3581	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3581	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3582	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3582	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3582	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3582	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3582	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3582	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR3582	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3582	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3582	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3582	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR3582	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3582	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3582	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3583	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3583	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3583	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3583	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3583	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3583	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3583	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3583	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3583	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3583	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3583	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3583	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3583	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3583	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3583	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3583	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3583	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3583	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3583	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3583	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3583	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3583	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3583	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3583	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3583	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3584	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR3584	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR3584	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR3585	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3585	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3585	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR3585	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR3585	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3585	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3585	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3585	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR3585	Clc1cccc(C)c1	C25168052
PADEL_KR3585	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3585	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3585	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3585	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3585	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3585	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR3585	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3585	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3585	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3585	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3585	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3585	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3585	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3585	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3585	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3585	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR3585	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3585	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3585	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3585	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3585	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3585	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3585	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3585	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3585	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3585	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3585	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3585	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3585	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3585	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3585	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3585	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3585	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3585	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3585	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3585	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3585	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3585	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3585	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3585	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3585	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3585	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3585	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3586	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3586	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3586	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3586	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3586	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3586	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3586	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR3586	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3586	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3586	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3586	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3586	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3586	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3587	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3587	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3587	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3587	Nc1cccc(C)c1C	C1300738
PADEL_KR3587	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3587	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3587	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3587	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3587	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR3587	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR3587	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3587	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3587	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3587	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3587	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3587	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3587	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3587	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3587	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3587	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR3587	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR3587	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3587	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3587	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3587	Nc1cc(ccc1OC)C	C120718
PADEL_KR3587	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR3587	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR3587	CCNc1cc(C)ccc1	C102272
PADEL_KR3587	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR3587	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3587	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR3587	Nc1cc(C)ccc1N	C496720
PADEL_KR3587	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR3587	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR3587	Nc1cccc(C)c1	C108441
PADEL_KR3587	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR3587	Nc1cccc(C)c1N	C2687254
PADEL_KR3587	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3587	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3587	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3587	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3587	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3587	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3587	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3587	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3587	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3587	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR3587	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3587	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3587	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3587	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR3587	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR3587	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3587	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR3587	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR3587	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3587	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3587	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3587	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3587	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3587	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3587	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR3587	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3587	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3587	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3587	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3587	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3587	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3588	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR3590	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3590	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3590	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3590	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3590	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3590	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3590	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3590	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3590	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3590	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3590	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3590	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3591	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3591	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3591	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3591	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3591	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3591	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3591	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3591	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3591	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR3591	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3591	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3591	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3591	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3591	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3591	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3591	c1c(O)cccc1CC	C620177
PADEL_KR3591	Cc1cc(O)ccc1	C108394
PADEL_KR3591	Cc1c(C)cccc1O	C526750
PADEL_KR3591	Cc1cc(C)cc(O)c1	C108689
PADEL_KR3591	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR3591	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3591	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR3591	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR3591	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR3591	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3591	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3591	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3591	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3591	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR3591	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3591	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3591	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3591	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR3591	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3591	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3591	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3591	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3591	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3591	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3591	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR3591	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3591	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3591	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3591	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3591	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3591	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3591	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3591	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3591	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR3591	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3591	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3591	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3591	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3591	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3591	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR3591	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3591	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3591	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3591	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3591	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3591	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3591	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3591	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3591	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3591	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3591	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3591	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR3591	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR3591	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR3591	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR3591	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3591	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3591	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3591	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3591	Oc1cc(C)c(C)cc1	C95658
PADEL_KR3591	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3591	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR3591	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3591	Oc1c(ccc(C)c1)C	C95874
PADEL_KR3591	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3591	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3591	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3591	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3591	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3591	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3591	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR3591	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3591	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3591	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3591	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3591	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3591	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3591	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3591	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3591	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3591	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3591	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR3591	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3591	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3591	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3591	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3591	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3591	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3591	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3591	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3591	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3591	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3591	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3591	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3591	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3591	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3591	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3591	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3591	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3591	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR3591	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3591	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3591	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3591	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3591	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3591	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR3591	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3591	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR3591	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3591	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3591	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3591	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3591	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3591	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR3591	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3591	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3591	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3591	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR3592	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3592	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR3592	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3592	Cc1ccc(C)c2c1cccc2	C571584
PADEL_KR3592	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3592	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3592	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PADEL_KR3592	Cc1c2c(ccc1)cccc2	C90120
PADEL_KR3592	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3592	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR3592	c1cc2cccc3C=Cc(c1)c23	C208968
PADEL_KR3592	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3592	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3592	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3593	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3593	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3593	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3593	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3593	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3593	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3593	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3593	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3593	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3593	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3593	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3593	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3593	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3593	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3593	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3593	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3593	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3593	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3593	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3593	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3593	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3593	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3593	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3593	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3593	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3593	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3593	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3593	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3593	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3593	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3593	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3593	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3593	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3593	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3593	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3593	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3593	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3593	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3593	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3593	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3593	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3593	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3593	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3593	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3593	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3593	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3593	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3593	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3593	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3593	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3593	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3593	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3593	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3593	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3593	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3593	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3593	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3593	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3593	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3593	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3593	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3593	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3593	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3593	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3593	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3593	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3593	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3593	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3593	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3593	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3593	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3593	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3593	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3593	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3593	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3593	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3593	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3593	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3593	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3593	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3593	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3593	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3593	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3593	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3593	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3593	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3593	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3593	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3593	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3593	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3593	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3593	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3593	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3593	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3593	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3593	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3593	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3593	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3593	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3593	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3593	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3593	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3593	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3593	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3593	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3593	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3593	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3594	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR3594	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR3594	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3594	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3594	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3594	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3594	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3594	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3594	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR3594	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR3594	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR3594	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3594	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR3594	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR3594	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR3594	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3594	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3594	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3595	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3595	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3596	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3596	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3596	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3596	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3596	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3596	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3596	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3596	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3596	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3596	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3596	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3596	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3596	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR3596	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3596	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3596	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PADEL_KR3596	Cc1c(C)cccc1O	C526750
PADEL_KR3596	C=Cc1ccccc1C=C	C1321740
PADEL_KR3596	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3596	c12ccccc1CCCC2	C119642
PADEL_KR3596	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3596	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR3596	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3596	Nc1cccc(C)c1C	C1300738
PADEL_KR3596	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3596	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3596	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR3596	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3596	Cc1cc(C)c(C)cc1C	C95932
PADEL_KR3596	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR3596	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3596	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3596	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3596	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3596	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3596	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3596	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3596	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3596	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3596	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3596	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3596	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3596	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3596	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR3596	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3596	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3596	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3596	c12ccccc1CC=C2	C95136
PADEL_KR3596	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR3596	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3596	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3596	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3596	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3596	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3596	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3596	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3596	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR3596	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3596	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3596	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3596	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3596	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR3596	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3596	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3596	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3596	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3596	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3596	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3596	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3596	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3596	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3596	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR3596	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3596	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR3596	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3596	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3596	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3596	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3596	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3596	Cc1c(ccc(c1)C)C	C95636
PADEL_KR3596	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3596	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3596	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR3596	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3596	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3596	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3596	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3596	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3596	Oc1cc(C)c(C)cc1	C95658
PADEL_KR3596	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3596	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR3596	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3596	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR3596	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR3596	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3596	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR3596	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3596	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3596	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3596	O=Cc1ccccc1C=O	C643798
PADEL_KR3596	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR3596	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3596	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3596	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3596	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3596	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3596	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3596	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3596	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3596	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3596	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3596	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3596	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3596	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3596	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3596	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3596	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3596	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3596	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3596	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3596	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3596	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3596	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3596	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3596	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3596	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3596	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3596	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR3596	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3596	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3596	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3596	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR3596	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3596	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3596	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3596	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3596	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3596	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3596	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3596	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3596	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3596	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3596	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3596	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3596	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3597	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3597	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3597	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3597	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3598	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3598	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3598	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3598	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR3598	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3598	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3598	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3598	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR3598	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3598	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3598	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3598	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3598	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3598	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3598	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3598	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3598	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3598	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3598	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3598	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3598	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3598	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3598	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR3598	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3598	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3598	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3598	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR3598	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3598	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3598	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3598	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3598	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3598	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR3598	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3598	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3598	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR3598	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3598	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3598	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3598	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3598	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR3598	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3598	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR3598	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3598	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3598	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3598	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3598	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3598	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3598	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3598	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3598	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3598	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3598	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3598	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR3598	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3598	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3598	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3598	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3598	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3598	O=Cc1ccccc1C=O	C643798
PADEL_KR3598	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR3598	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3598	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3598	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3598	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3598	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3598	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3598	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3598	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3598	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3598	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3598	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3598	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3598	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3598	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3598	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3598	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3599	Clc1c(ccc(c1)N)C	C95749
PADEL_KR3599	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3599	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3599	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3599	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3599	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR3599	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3599	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3599	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3599	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3599	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3599	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3599	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3599	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3599	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR3599	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3599	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR3599	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3599	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3599	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3599	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3599	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3599	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3599	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3599	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3599	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3599	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3599	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3599	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR3599	Cc1ccccc1Cl	C95498
PADEL_KR3599	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3599	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR3599	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3599	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3599	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3599	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3599	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3599	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3599	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3599	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3599	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3599	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3599	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3599	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3599	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3599	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3599	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR3599	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3599	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3599	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3600	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3600	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3600	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3600	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3600	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3600	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3600	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3600	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3600	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3600	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3600	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3600	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3600	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3600	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3600	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3600	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3601	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3601	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR3602	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3602	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR3602	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3602	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR3602	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR3602	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3602	Nc1ccccc1C.Cl	C636215
PADEL_KR3602	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR3602	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR3602	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3602	Nc1cccc(C)c1C	C1300738
PADEL_KR3602	Nc1c(C)cccc1CC	C24549062
PADEL_KR3602	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3602	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3602	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3602	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3602	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3602	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3602	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR3602	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR3602	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR3602	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR3602	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR3602	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3602	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR3602	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3602	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3602	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3602	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3602	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3602	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3602	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3602	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3602	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3602	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3602	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3602	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR3602	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3602	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3602	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3602	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR3602	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3602	Nc1c(ccc(c1)N)C	C95807
PADEL_KR3602	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR3602	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR3602	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3602	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR3602	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR3602	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3602	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR3602	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR3602	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3602	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR3602	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR3602	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR3602	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR3602	Nc1c(cccc1)C	C95534
PADEL_KR3602	Nc1c(cccc1C)C	C87627
PADEL_KR3602	Nc1c(CC)cccc1CC	C579668
PADEL_KR3602	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR3602	Nc1cccc(C)c1N	C2687254
PADEL_KR3602	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3602	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3602	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3602	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3602	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3602	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3602	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3602	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3602	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3602	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3602	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3602	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3602	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3602	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3602	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3602	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3602	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3602	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3602	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3602	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3602	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3602	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3602	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3602	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR3602	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR3602	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR3602	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR3602	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3602	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3602	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3602	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3602	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3602	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3602	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3602	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3602	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3602	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3602	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3602	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3602	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3602	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3602	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3605	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3605	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3605	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3605	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3606	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3606	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3606	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3606	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3606	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3606	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3606	c1(O)ccccc1C(=O)N	C65452
PADEL_KR3606	O=Cc1ccccc1O	C90028
PADEL_KR3606	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR3606	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR3606	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR3606	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR3606	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3606	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR3606	c1(c(CC)cccc1)O	C90006
PADEL_KR3606	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR3606	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR3606	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3606	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3606	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR3606	Cc1c(C)cccc1O	C526750
PADEL_KR3606	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3606	O=C(O)c1ccccc1O	C69727
PADEL_KR3606	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3606	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3606	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3606	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3606	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3606	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3606	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3606	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR3606	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3606	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR3606	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3606	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3606	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3606	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3606	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3606	O=C(c1ccccc1O)C	C118934
PADEL_KR3606	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3606	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3606	Oc1ccccc1CN(C)C	C120650
PADEL_KR3606	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR3606	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3606	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3606	N#Cc1c(O)cccc1	C611201
PADEL_KR3606	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3606	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3606	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR3606	Oc1c(C(C)C)cccc1	C88697
PADEL_KR3606	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR3606	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR3606	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3606	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3606	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3606	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3606	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3606	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3606	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3606	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3606	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3606	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3606	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3606	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3606	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3606	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3606	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3606	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3606	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3606	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3606	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR3606	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3606	Oc1c(C)cccc1	C95487
PADEL_KR3606	Oc1c(C)cc(C)cc1	C105679
PADEL_KR3606	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR3606	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR3606	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR3606	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3606	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3606	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3606	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3606	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3606	Oc1c(cccc1C)C	C576261
PADEL_KR3606	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR3606	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR3606	Oc1c(ccc(C)c1)C	C95874
PADEL_KR3606	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR3606	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3606	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3606	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3606	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3606	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3606	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3606	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3606	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3606	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3606	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3606	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3606	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3606	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3606	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3606	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3606	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3606	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3606	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR3606	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3606	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3606	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3606	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3606	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3606	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3606	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3606	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3606	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3606	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3606	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3606	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3606	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR3606	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3606	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3606	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3606	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3606	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR3606	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3606	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3606	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR3606	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR3606	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3606	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3606	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR3606	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3606	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR3606	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3606	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3606	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3606	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3606	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3606	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3606	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3606	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3606	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3606	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3606	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3606	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR3606	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3606	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3606	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR3606	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR3606	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3606	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3606	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3607	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3607	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR3607	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR3607	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3607	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR3607	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR3607	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR3607	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR3607	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR3607	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR3607	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR3607	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3607	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR3607	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR3607	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3607	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR3607	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3607	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3608	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR3608	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR3608	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3608	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR3608	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR3608	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3608	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR3608	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3608	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR3608	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3608	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3608	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3608	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3608	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3608	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3608	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3608	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR3608	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3608	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3608	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3608	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3608	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3608	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3608	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3608	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3608	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3608	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3608	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3608	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR3608	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR3608	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3608	Nc1cccc(C)n1	C1824813
PADEL_KR3609	NC(=O)c1cccnc1	C98920
PADEL_KR3609	OC(=O)c1cccnc1	C59676
PADEL_KR3609	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3609	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3609	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR3609	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3609	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3609	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3609	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3609	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3609	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3609	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3609	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3609	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3609	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3609	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR3609	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3609	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3609	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3609	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3609	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3609	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3609	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR3609	N#Cc1cnccc1	C100549
PADEL_KR3609	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3609	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3609	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3609	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3609	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3609	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3609	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3609	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3609	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3609	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3609	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR3609	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3609	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3609	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3609	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR3609	n1cc(C)ccc1	C108996
PADEL_KR3609	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3609	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3609	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR3609	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3609	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3609	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR3609	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3609	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR3610	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3610	c1c(CO)occ1	C98000
PADEL_KR3610	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR3610	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3610	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3610	O=Cc1ccco1	C98011
PADEL_KR3610	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3610	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3610	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3610	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3610	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3610	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3610	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3610	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3610	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3610	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3610	CCCCCc1ccco1	C3777693
PADEL_KR3611	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3611	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3611	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3611	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3611	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3611	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3611	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3612	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR3612	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR3613	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR3613	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3613	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3613	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR3616	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR3616	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3616	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3616	O=C(c1ccncc1)NN	C54853
PADEL_KR3616	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR3616	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3616	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3617	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR3617	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR3617	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3617	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR3617	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3617	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3617	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR3617	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3617	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR3617	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR3617	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR3617	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR3617	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR3617	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR3617	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR3617	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3617	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3618	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3618	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3618	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3618	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3618	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3618	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3618	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3618	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3619	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3619	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3619	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3620	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3622	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3625	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3625	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3625	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3625	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3630	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3634	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3634	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3635	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3635	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3635	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3635	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3635	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3635	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3635	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3635	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3635	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3635	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3636	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3636	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3636	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3636	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3640	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3640	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3640	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3640	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3640	CC(CNCC(C)O)O	C110974
PADEL_KR3640	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3640	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3640	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3640	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3640	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3640	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3640	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3640	O=C1CCCCC1	C108941
PADEL_KR3640	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3640	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3640	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3640	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3640	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3640	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3640	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3640	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3640	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3640	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3640	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3640	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3640	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3640	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3640	OC(CO)CCl	C96242
PADEL_KR3640	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3640	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3640	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3640	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3640	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3640	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3640	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3640	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3640	O=NN1CCCC1	C930552
PADEL_KR3640	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3640	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3640	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3640	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3640	ClCC(Cl)CCl	C96184
PADEL_KR3640	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR3640	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3640	OCCOCCOCCOCCCC	C143226
PADEL_KR3640	CCCCCCCCCC=O	C112312
PADEL_KR3640	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3640	O=CCCCCCC	C111717
PADEL_KR3640	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3640	CCCCCCCCC=O	C124196
PADEL_KR3640	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3640	OC(=O)CCCC	C109524
PADEL_KR3640	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3640	OCCC	C71238
PADEL_KR3640	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3640	OC(C)CN	C78966
PADEL_KR3640	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3640	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3640	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3640	ON=C1CCCCC1	C100641
PADEL_KR3640	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3640	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3640	CC(O)CC(C)(C)O	C107415
PADEL_KR3640	CCCC(=O)C	C107879
PADEL_KR3640	C1CCCCC1O	C108930
PADEL_KR3640	N#CCC#N	C109773
PADEL_KR3640	CCCCCC(=O)C	C110430
PADEL_KR3640	CCCCCCO	C111273
PADEL_KR3640	CCCCCCCO	C111706
PADEL_KR3640	CCCCCCCCCC(=O)C	C112129
PADEL_KR3640	CCCCCC(=O)OCC	C123660
PADEL_KR3640	CCCCCCCCCCCCN	C124221
PADEL_KR3640	CCCCCCCCCO	C143088
PADEL_KR3640	O=C(OC(C)(C)C)C	C540885
PADEL_KR3640	Oc1ccc(CCC)cc1	C645567
PADEL_KR3640	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3640	C=CC(Cl)CCl	C760236
PADEL_KR3640	CC/C=C\CCO	C928961
PADEL_KR3640	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR3640	CCCCCCCCCCN	C2016571
PADEL_KR3640	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3640	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3640	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3640	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3640	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3640	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3640	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3640	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3640	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3640	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3640	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3640	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3640	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3640	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3640	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3640	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3640	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3640	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3640	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3640	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3640	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3640	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3640	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3640	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3640	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3640	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3640	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3640	C(=O)(O)C(C)O	C50215
PADEL_KR3640	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3640	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3640	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3640	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3640	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3640	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR3640	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3640	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3640	NC(CO)(CO)CO	C77861
PADEL_KR3640	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3640	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3640	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3640	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3640	CC(=C)C#N	C126987
PADEL_KR3640	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3640	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3640	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3640	CC(O)COC	C107982
PADEL_KR3640	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3640	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3640	ON=CCCC	C110690
PADEL_KR3640	OCCCCO	C110634
PADEL_KR3640	O=C(OCCCC)C=C	C141322
PADEL_KR3640	C(C)(C)(C)N	C75649
PADEL_KR3640	C(OCCCC)C1CO1	C2426086
PADEL_KR3640	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3640	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3640	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3640	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3640	C(CCN)CCCN	C124094
PADEL_KR3640	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3640	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3640	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3640	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3640	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3640	N(CCCN)(C)C	C109557
PADEL_KR3640	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3640	C(CCCCCC)CCCCCS	C112550
PADEL_KR3640	C(CC)(C=O)CCCC	C123057
PADEL_KR3640	OCC(C(O)CCC)CC	C94962
PADEL_KR3640	CCC(=CCCC)C=O	C645625
PADEL_KR3640	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3640	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3640	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3640	O=CCCCC=O	C111308
PADEL_KR3640	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3640	C(C)(C)(O)C#N	C75865
PADEL_KR3640	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3640	O(C(C)C)C(=O)C	C108214
PADEL_KR3640	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3640	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3640	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3640	N#CC(CCC#N)C	C4553622
PADEL_KR3640	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR3640	C(CCCCCCC)C	C111842
PADEL_KR3640	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3640	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3640	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3640	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3640	c12ccccc1CCCC2	C119642
PADEL_KR3640	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3640	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3640	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3640	N#CC(C)C	C78820
PADEL_KR3640	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3640	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3640	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3640	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3640	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3640	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3640	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3640	O=C1OCC(C)O1	C108327
PADEL_KR3640	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3640	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3640	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3640	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3640	N1CCCCCC1	C111499
PADEL_KR3640	O=C(C)OCCOCCCC	C112072
PADEL_KR3640	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3640	OCC(CO)(CO)CO	C115775
PADEL_KR3640	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3640	OC(CCCCCC)C	C123966
PADEL_KR3640	OCC(N)(C)C	C124685
PADEL_KR3640	OCC(C)(C)CO	C126307
PADEL_KR3640	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3640	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3640	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3640	C1=CC=CC1	C542927
PADEL_KR3640	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3640	O=C1NCCC1	C616455
PADEL_KR3640	O=COC(C)C	C625558
PADEL_KR3640	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR3640	OC(C)COc1ccccc1	C770354
PADEL_KR3640	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3640	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3640	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3640	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3640	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3640	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3640	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3640	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3640	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3640	OCCOCCC	C2807309
PADEL_KR3640	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3640	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3640	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3640	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3640	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3640	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3640	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR3640	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR3640	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3640	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3640	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3640	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3640	CC(CO)O	C25322694
PADEL_KR3640	SC(C)(C)CCCCCC	C25360105
PADEL_KR3640	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3640	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3640	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3640	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3640	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3640	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3640	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3640	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3640	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3640	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3640	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3640	OCC1OCCC1	C97994
PADEL_KR3640	O=C1CCCC1	C120923
PADEL_KR3640	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3640	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3640	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3640	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3640	O=C(C=C(C)C)C	C141797
PADEL_KR3640	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR3640	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3640	OC(C)COCCC	C1569013
PADEL_KR3640	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3640	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3640	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3640	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3640	OCC(CCC)CCCCC	C10042598
PADEL_KR3640	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3640	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3640	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3640	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3640	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3640	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3640	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3640	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3640	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3640	OC(OCCCC)CC	C29387868
PADEL_KR3640	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3640	ClC(Cl)(C)C	C594207
PADEL_KR3640	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3640	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3640	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3640	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3640	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3640	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3640	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3640	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3640	OCCSCCCCCCCC	C3547339
PADEL_KR3640	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3640	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3640	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3640	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3640	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3640	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3640	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3640	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR3640	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3640	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3640	OC1CCCC1	C96413
PADEL_KR3640	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3640	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3640	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3640	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3640	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3640	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3640	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3640	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3640	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3640	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3640	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3640	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3640	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3640	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3640	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3640	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3640	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3640	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3640	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3640	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3640	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR3640	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3640	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3640	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3640	OC(CCCCC)C=C	C3391864
PADEL_KR3640	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR3640	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3640	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3640	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3640	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3640	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3640	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3640	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3640	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR3640	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3640	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3640	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3640	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3640	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3640	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3640	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3640	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3640	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3640	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3640	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3640	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3640	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3640	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3640	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3640	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3640	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3640	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3640	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3640	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3640	O=C(CC)OCC	C105373
PADEL_KR3640	O=C1OCC(CC)O1	C4437858
PADEL_KR3640	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3640	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3640	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3640	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3640	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3640	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3640	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3640	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3640	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3640	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3640	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3640	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3640	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3640	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3640	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3640	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3640	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3640	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3640	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3640	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3640	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3640	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3640	CC(O)COCC	C1569024
PADEL_KR3640	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3640	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3640	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3640	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3640	O=C1CCC(O1)CC	C695067
PADEL_KR3640	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3640	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3640	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3640	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3640	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3640	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3640	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3640	O=C/C=C/CCC	C6728263
PADEL_KR3640	O1C=CCCC1	C110872
PADEL_KR3640	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3640	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3640	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3640	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3640	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3640	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3640	NCCCN1CCOCC1	C123002
PADEL_KR3640	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3640	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3640	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3640	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3640	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3640	O=C(CCC)OCCCCC	C540181
PADEL_KR3640	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3640	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3640	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3640	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3640	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3640	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3640	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3640	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3640	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3640	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3640	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3640	OCCOCC(CC)CCCC	C1559359
PADEL_KR3640	O=C(CC)CCCCC	C106683
PADEL_KR3640	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3640	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3640	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3640	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3640	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3640	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3640	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3640	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3640	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3640	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3640	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3640	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3640	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3640	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3640	OC(C)C(=O)OCCCC	C138227
PADEL_KR3640	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3640	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3640	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3640	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3640	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3640	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3640	COc1ccc(CCC)cc1	C104450
PADEL_KR3640	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3640	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR3640	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR3640	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3640	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3640	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3640	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3640	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR3640	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR3640	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3640	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3640	O=C(C)OCCCCCCCC	C112141
PADEL_KR3640	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3640	Oc1c(C(C)C)cccc1	C88697
PADEL_KR3640	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3640	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3640	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3640	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3640	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3640	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3640	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR3640	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3640	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3640	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3640	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3640	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3640	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3640	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3640	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3640	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3640	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3640	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3640	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR3640	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3640	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3640	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3640	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3640	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3640	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3640	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3640	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3640	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3640	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3640	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3640	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3640	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3640	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3640	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3640	OCCOCC(C)OCCO	C9003116
PADEL_KR3640	O=C1OC(CCC)CC1	C105215
PADEL_KR3640	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3640	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3640	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3640	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3640	Nc1ccc(CCC)cc1	C2696846
PADEL_KR3640	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3640	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3640	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3640	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3640	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3640	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3640	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3640	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3640	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3640	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3640	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3640	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR3640	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3640	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3640	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3640	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3640	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3640	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3640	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3640	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3640	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3640	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3640	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3640	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3640	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR3640	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3640	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3640	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3640	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3640	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3640	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3640	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3640	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3640	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3640	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3640	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3640	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3640	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3640	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR3640	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3640	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3640	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3640	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3640	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3640	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3640	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3640	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3640	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3640	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3640	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3640	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3640	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3640	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3640	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3640	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3640	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3640	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3640	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3640	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3640	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3640	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3640	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3640	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3640	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3640	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3640	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3640	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3640	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR3640	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3640	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR3640	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3640	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3640	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3640	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3640	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3640	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3640	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3640	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3640	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3640	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3640	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3640	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3640	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3640	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3640	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3640	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR3640	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3640	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3640	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3640	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3640	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3640	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3640	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3640	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3640	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3640	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3640	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3640	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3640	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR3640	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3640	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3640	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR3640	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3640	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3640	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3640	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3640	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3640	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3640	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3640	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3640	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3640	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3640	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3640	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3640	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3640	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3640	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3640	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3640	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3640	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3640	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3640	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3640	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3640	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3640	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3640	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3640	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3640	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3640	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3640	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR3640	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3640	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3640	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3640	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3640	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3640	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3640	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3640	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3640	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3640	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3640	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3640	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3640	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3640	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3640	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3640	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3640	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3640	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3640	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3640	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3640	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3640	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3640	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3640	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3640	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3640	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3640	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3640	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3640	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3640	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR3640	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR3640	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3640	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3640	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3640	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3640	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3640	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3640	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3640	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3640	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3640	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3640	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3640	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR3640	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3640	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3640	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3640	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3640	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3640	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3640	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3640	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3640	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3640	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3640	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3640	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3640	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3640	O=C1CCCO1	C96480
PADEL_KR3640	O=C1CCCCCN1	C105602
PADEL_KR3640	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3640	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3640	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3640	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3640	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3640	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3640	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3640	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3640	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3640	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3640	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3640	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3640	CCC(CCCC)CO	C104767
PADEL_KR3640	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3640	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3640	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3640	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3640	OCC(O)CO	C56815
PADEL_KR3640	OCC1CO1	C556525
PADEL_KR3640	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3640	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3640	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3640	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3640	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3640	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3640	O=C1N(CCC1)C	C872504
PADEL_KR3640	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3640	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3640	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3640	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3640	O=NN(CCCC)CCCC	C924163
PADEL_KR3640	O=NN(CCC)CCC	C621647
PADEL_KR3640	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3640	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3640	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3640	O=S1(=O)CCCO1	C1120714
PADEL_KR3640	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3640	CC(CO)O	C57556
PADEL_KR3640	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR3640	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3640	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3640	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3640	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3640	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3640	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3640	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3640	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3640	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3640	O=C1N(C=C)CCC1	C88120
PADEL_KR3640	OC(=O)CCC	C107926
PADEL_KR3640	CCCCOCCOCCO	C112345
PADEL_KR3640	CCCCCCCCCC(=O)O	C334485
PADEL_KR3640	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3640	O=C(O)CCCCCC	C111148
PADEL_KR3640	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3640	CCCCCC(=O)O	C142621
PADEL_KR3640	CCCCCCCCC(=O)O	C112050
PADEL_KR3640	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3640	CCCCCCCC=O	C124130
PADEL_KR3640	CCCCCCCC(=O)O	C124072
PADEL_KR3640	CCCCC=O	C110623
PADEL_KR3640	CCCCCCCCCCC	C1120214
PADEL_KR3640	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3640	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3640	CCC(=NO)C	C96297
PADEL_KR3640	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3640	N#CCCCCC#N	C111693
PADEL_KR3640	CCCCCCCCO	C111875
PADEL_KR3640	CCCCCCCCCCO	C112301
PADEL_KR3640	CCCCCCCCCCCCCO	C112709
PADEL_KR3640	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3640	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3640	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3640	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3640	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3640	c1(CCCC)ccccc1	C104518
PADEL_KR3640	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3640	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3640	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3640	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3640	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3640	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3640	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3640	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3640	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3640	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3640	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3640	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3640	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3640	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3640	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3640	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3640	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3640	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3640	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3640	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3640	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3640	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3640	NC1CCCCC1	C108918
PADEL_KR3640	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR3640	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3640	CCCCOCCO	C111762
PADEL_KR3640	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3640	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3640	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3640	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3640	ON=CC(C)(C)SC	C1646759
PADEL_KR3640	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3640	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3640	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3640	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3640	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3640	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3640	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3640	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3640	C(CCCCCCCC)C	C124185
PADEL_KR3640	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3640	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3640	OC(CCl)CCl	C96231
PADEL_KR3640	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3640	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3640	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3640	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3640	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3640	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3640	O=C(O)C(CCCC)CC	C149575
PADEL_KR3640	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3640	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3640	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR3640	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3640	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3640	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3640	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3640	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3640	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3640	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3640	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3640	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3640	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3640	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3640	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3640	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3640	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR3640	CC(C)c1ccc(C)cc1	C99876
PADEL_KR3640	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3640	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3640	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3640	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3640	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3640	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3640	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3640	OCCC(O)C	C107880
PADEL_KR3640	OC(CC(C)C)C	C108112
PADEL_KR3640	O=C(OC)CCCCCCC	C111115
PADEL_KR3640	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3640	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3640	OCCOCCCCCC	C112254
PADEL_KR3640	OCCCCCCCCCCC	C112425
PADEL_KR3640	OCCCCCCCCCCCC	C112538
PADEL_KR3640	OCCCCCCCCCCCCCC	C112721
PADEL_KR3640	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3640	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3640	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3640	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3640	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3640	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3640	O=C(C)OCCCCC	C628637
PADEL_KR3640	CCCCCCCCCCCCCCC	C629629
PADEL_KR3640	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3640	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3640	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR3640	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3640	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3640	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR3640	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3640	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3640	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3640	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3640	OC(OC(O)CC)CC	C25265718
PADEL_KR3640	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3640	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3640	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3640	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3640	OC(OCCCOC)CC	C34590948
PADEL_KR3640	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3640	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3640	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3640	O=C(OC)CC(=O)OC	C108598
PADEL_KR3640	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3640	CCC12N(COC1)COC2	C7747355
PADEL_KR3640	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3640	O=C(N)C(=C)C	C79390
PADEL_KR3640	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3640	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3640	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3640	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3640	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3640	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3640	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3640	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3640	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3640	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3640	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3640	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3640	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3640	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3640	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3640	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3640	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3640	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3640	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3640	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3640	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3640	CCCCCCCCN(C)C	C7378996
PADEL_KR3640	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3640	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3640	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3640	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3640	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3640	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3640	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3640	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3640	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3640	O=C(CCC)OCC	C105544
PADEL_KR3640	O=C(OCC)CCCCCC	C106309
PADEL_KR3640	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3640	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3640	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3640	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3640	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3640	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3640	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3640	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3640	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3640	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3640	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3640	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3640	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3640	CCCc1ccccc1	C103651
PADEL_KR3640	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3640	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3640	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3640	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3640	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3640	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3640	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3640	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3640	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3640	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3640	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3640	CC(C)(C)c1ccccc1	C98066
PADEL_KR3640	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3640	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3640	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3640	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3640	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3640	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3640	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3640	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3640	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3640	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3640	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3640	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3640	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3640	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3640	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3640	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3640	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3640	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3640	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3640	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3640	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3640	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3640	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3640	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3640	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3640	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3640	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3640	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3640	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3640	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3640	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3640	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR3640	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3640	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3640	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3640	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3640	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3640	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3640	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3640	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3640	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3640	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3640	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3640	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3640	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3640	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3640	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3640	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3640	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3640	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR3640	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3640	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3640	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3640	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR3640	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3640	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3640	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3640	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3640	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3640	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3640	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3640	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3640	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3640	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3640	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3640	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3640	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3640	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3640	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3640	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3640	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3640	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3640	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3640	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3640	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3640	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3640	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3640	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3640	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3640	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3640	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3640	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3640	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3640	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3640	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3640	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3640	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3640	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3640	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3640	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3640	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3640	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3640	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3640	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3640	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3640	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3640	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3640	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3640	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3640	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3640	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3640	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3640	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3640	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3640	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3640	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3640	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3640	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3640	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3640	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3640	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3640	OCCCBr	C627189
PADEL_KR3640	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR3640	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3640	C(CO)C(C)C	C123513
PADEL_KR3640	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3640	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3640	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3640	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3640	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3640	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3640	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3640	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3640	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3640	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3640	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3640	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3640	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3640	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3640	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3640	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3640	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3640	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3640	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3640	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3640	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3640	OCCC(OC)C	C2517433
PADEL_KR3640	S=C(NCCCC)NCCCC	C109466
PADEL_KR3640	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3640	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3640	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3640	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3640	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3640	O=CCCSC	C3268493
PADEL_KR3640	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3640	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3640	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3640	CC(=O)OCCCC	C123864
PADEL_KR3640	CC(=O)CCC(C)C	C110123
PADEL_KR3640	CC(=O)CC(C)C	C108101
PADEL_KR3640	CC(C)C=O	C78842
PADEL_KR3640	CCCCCC=O	C66251
PADEL_KR3640	CCCC=O	C123728
PADEL_KR3640	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3640	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3640	CCC1CO1	C106887
PADEL_KR3640	CC1CC(=O)O1	C3068880
PADEL_KR3640	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3640	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3640	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3640	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3640	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3640	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3640	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3640	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3640	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3640	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3640	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3640	O=C(CCl)CCl	C534076
PADEL_KR3640	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3640	CC(=O)C(=O)O	C127173
PADEL_KR3640	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3640	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3640	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3640	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3640	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3640	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3640	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3640	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3640	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3640	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3640	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3640	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3640	O=CC=CC=CCCCCC	C25152845
PADEL_KR3640	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3640	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3640	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3640	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3640	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3640	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3640	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3640	OCC=C(C)C	C556821
PADEL_KR3640	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3640	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3640	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3640	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3640	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3640	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3640	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3640	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3640	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3640	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3640	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR3640	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3640	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3640	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3640	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3640	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3640	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3640	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3640	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3640	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3640	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3640	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3640	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3640	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3640	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3640	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3640	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3640	O=CCCCCCCCCC=C	C112458
PADEL_KR3640	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3640	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3640	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3640	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3640	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3640	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3640	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3640	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3640	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3640	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3640	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3640	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3640	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3640	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3640	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3640	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3640	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3640	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3640	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3640	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3640	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3640	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3640	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3640	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3640	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3640	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3640	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3640	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3640	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3640	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3640	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3640	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3640	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3640	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3640	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3640	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3640	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3640	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3640	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3640	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3640	O=CN1CCCCC1	C2591868
PADEL_KR3640	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3640	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3640	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3640	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3640	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3640	BrCCCCCCCCCCCC	C143157
PADEL_KR3640	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3640	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3640	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3640	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3640	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3640	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3640	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3640	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3640	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3640	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3640	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3640	O=C(OCCCCO)C=C	C2478106
PADEL_KR3640	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3640	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3640	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3640	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3640	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3640	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3640	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3640	NCCCOCCCCCCCC	C15930662
PADEL_KR3640	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3640	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3640	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3640	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3640	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3640	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3640	CC1COc2ccccc2N1	C32329207
PADEL_KR3640	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3640	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3640	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3640	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3640	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3640	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3640	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3640	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3640	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3640	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3640	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3640	SC1CCCC1	C1679078
PADEL_KR3640	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3640	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3640	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3640	S=C=NCCCSC	C505793
PADEL_KR3640	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3640	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3640	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3640	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3640	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3640	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3640	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3640	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3640	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3640	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3640	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3640	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3640	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3640	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3640	CCCCCc1ccco1	C3777693
PADEL_KR3640	CCC(=O)C(=O)CC	C4437518
PADEL_KR3640	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3640	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3641	N#CCC#N	C109773
PADEL_KR3641	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3641	CC(=C)C#N	C126987
PADEL_KR3641	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3641	C(C)(C)(O)C#N	C75865
PADEL_KR3641	N#CC(CCC#N)C	C4553622
PADEL_KR3641	N#CC(C)C	C78820
PADEL_KR3641	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3641	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3641	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3641	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3641	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3641	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3641	N#CCCCCC#N	C111693
PADEL_KR3641	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3641	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3641	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3641	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3641	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3641	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3643	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3643	O=C1CCCCC1	C108941
PADEL_KR3643	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3643	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3643	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3643	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3643	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3643	CCCC(=O)C	C107879
PADEL_KR3643	CCCCCC(=O)C	C110430
PADEL_KR3643	CCCCCCCCCC(=O)C	C112129
PADEL_KR3643	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3643	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3643	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3643	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3643	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3643	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3643	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3643	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3643	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3643	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3643	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3643	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3643	O=C1CCCC1	C120923
PADEL_KR3643	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3643	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3643	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3643	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3643	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3643	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3643	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3643	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3643	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3643	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3643	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3643	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3643	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3643	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3643	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3643	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3643	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3643	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3643	O=C(CC)CCCCC	C106683
PADEL_KR3643	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3643	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3643	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3643	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3643	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3643	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3643	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3643	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3643	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3643	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3643	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3643	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3643	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3643	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3643	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3643	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3643	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3643	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3643	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3643	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3643	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3643	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3643	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3643	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3643	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3643	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3643	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3643	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3643	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3643	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3643	CC(=O)CCC(C)C	C110123
PADEL_KR3643	CC(=O)CC(C)C	C108101
PADEL_KR3643	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3643	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3643	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3643	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3643	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3643	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3643	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3643	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3643	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3643	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3643	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3643	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3643	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3643	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3643	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3643	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3643	CCC(=O)C(=O)CC	C4437518
PADEL_KR3645	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3645	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3645	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3645	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3645	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3645	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3645	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3645	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3645	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3645	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3645	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3645	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3645	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3645	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3645	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3645	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3645	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3645	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3645	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3645	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3645	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3645	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3645	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3645	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3645	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3645	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3645	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3646	O=C1CCCCC1	C108941
PADEL_KR3646	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3646	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3646	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3646	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3646	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3646	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3646	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3646	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3646	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3646	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3646	O=C1CCCC1	C120923
PADEL_KR3646	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3646	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3646	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3646	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3646	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3646	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3646	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3646	O=C(CC)CCCCC	C106683
PADEL_KR3646	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3646	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3646	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3646	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3646	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3646	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3646	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3646	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3646	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3646	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3646	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3646	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3646	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3646	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3646	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3646	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3646	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3646	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3646	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3646	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3646	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3646	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3646	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3646	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3646	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3646	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3646	CCC(=O)C(=O)CC	C4437518
PADEL_KR3647	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3647	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3647	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3647	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3647	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3647	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3647	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3647	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3647	O=C1NCCC1	C616455
PADEL_KR3647	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3647	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3647	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3647	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3647	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3647	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3647	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3647	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3647	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3647	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3647	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3647	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3647	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3647	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3647	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3647	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3647	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3647	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3647	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3647	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3647	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3647	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3647	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3647	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3647	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3647	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3647	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3647	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3647	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3647	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3647	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3647	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3647	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3647	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3647	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3647	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3647	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3647	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3647	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3647	O=C1CCCCCN1	C105602
PADEL_KR3647	O=C1N(CCC1)C	C872504
PADEL_KR3647	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3647	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3647	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3647	O=C1N(C=C)CCC1	C88120
PADEL_KR3647	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3647	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3647	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3647	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3647	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3647	O=C(N)C(=C)C	C79390
PADEL_KR3647	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3647	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3647	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3647	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3647	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3647	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3647	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3647	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3647	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3647	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3647	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3647	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3647	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3647	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3647	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3647	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3647	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3647	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3647	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3647	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3647	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3647	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3647	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3647	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3647	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3647	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3647	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3647	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3647	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3647	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3647	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3647	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3647	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3647	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3647	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3647	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3647	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3647	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3648	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3648	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3648	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3648	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3648	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3648	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3648	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3648	O=C1NCCC1	C616455
PADEL_KR3648	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3648	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3648	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3648	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3648	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3648	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3648	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3648	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3648	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3648	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3648	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3648	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3648	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3648	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3648	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3648	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3648	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3648	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3648	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3648	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3648	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3648	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3648	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3648	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3648	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3648	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3648	O=C1CCCCCN1	C105602
PADEL_KR3648	O=C1N(CCC1)C	C872504
PADEL_KR3648	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3648	O=C1N(C=C)CCC1	C88120
PADEL_KR3648	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3648	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3648	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3648	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3648	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3648	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3648	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3648	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3648	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3648	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3648	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3648	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3648	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3648	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3648	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3648	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3648	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3648	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3648	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3648	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3648	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3648	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3648	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3648	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3648	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3648	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3648	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3648	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3648	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3648	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3649	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3649	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3649	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3649	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3649	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3649	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3649	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3649	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3649	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3651	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3651	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3651	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3651	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3651	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3651	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3651	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3654	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3654	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3654	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3654	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3654	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3654	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3654	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3654	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3654	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3654	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3654	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3654	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3654	OC(=O)CCCC	C109524
PADEL_KR3654	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3654	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3654	CCCCCC(=O)OCC	C123660
PADEL_KR3654	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3654	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3654	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3654	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3654	C(=O)(O)C(C)O	C50215
PADEL_KR3654	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3654	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3654	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3654	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3654	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3654	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3654	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3654	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3654	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3654	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3654	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3654	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3654	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3654	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3654	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3654	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3654	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3654	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3654	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3654	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3654	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3654	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3654	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3654	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3654	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3654	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3654	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3654	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3654	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3654	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3654	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3654	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3654	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3654	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3654	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3654	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3654	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3654	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3654	O=C(CC)OCC	C105373
PADEL_KR3654	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3654	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3654	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3654	O=C1CCC(O1)CC	C695067
PADEL_KR3654	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3654	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3654	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3654	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3654	O=C(CCC)OCCCCC	C540181
PADEL_KR3654	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3654	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3654	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3654	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3654	OC(C)C(=O)OCCCC	C138227
PADEL_KR3654	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3654	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3654	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3654	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3654	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3654	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3654	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3654	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3654	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3654	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3654	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3654	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3654	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3654	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3654	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3654	O=C1OC(CCC)CC1	C105215
PADEL_KR3654	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3654	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3654	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3654	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3654	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3654	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3654	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3654	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3654	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3654	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3654	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3654	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3654	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3654	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3654	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3654	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3654	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3654	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3654	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3654	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3654	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3654	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3654	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3654	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3654	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3654	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3654	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3654	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3654	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3654	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3654	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3654	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3654	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3654	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3654	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3654	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3654	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3654	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3654	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3654	O=C1CCCO1	C96480
PADEL_KR3654	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3654	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3654	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3654	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3654	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3654	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3654	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3654	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3654	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3654	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3654	OC(=O)CCC	C107926
PADEL_KR3654	CCCCCCCCCC(=O)O	C334485
PADEL_KR3654	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3654	O=C(O)CCCCCC	C111148
PADEL_KR3654	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3654	CCCCCC(=O)O	C142621
PADEL_KR3654	CCCCCCCCC(=O)O	C112050
PADEL_KR3654	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3654	CCCCCCCC(=O)O	C124072
PADEL_KR3654	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3654	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3654	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3654	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3654	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3654	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3654	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3654	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3654	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3654	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3654	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3654	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3654	O=C(O)C(CCCC)CC	C149575
PADEL_KR3654	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3654	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3654	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3654	O=C(OC)CCCCCCC	C111115
PADEL_KR3654	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3654	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3654	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3654	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3654	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3654	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3654	O=C(OC)CC(=O)OC	C108598
PADEL_KR3654	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3654	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3654	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3654	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3654	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3654	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3654	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3654	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3654	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3654	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3654	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3654	O=C(CCC)OCC	C105544
PADEL_KR3654	O=C(OCC)CCCCCC	C106309
PADEL_KR3654	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3654	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3654	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3654	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3654	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3654	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3654	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3654	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3654	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3654	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3654	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3654	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3654	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3654	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3654	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3654	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3654	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3654	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3654	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3654	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3654	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3654	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3654	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3654	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3654	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3654	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3654	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3654	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3654	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3654	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3654	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3654	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3654	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3654	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3654	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3654	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3654	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3654	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3654	CC1CC(=O)O1	C3068880
PADEL_KR3654	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3654	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3654	CC(=O)C(=O)O	C127173
PADEL_KR3654	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3654	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3654	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3654	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3654	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3654	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3654	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3654	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3654	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3654	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3654	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3654	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3654	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3654	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3654	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3654	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3654	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3654	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3654	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3654	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3654	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3654	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3654	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3654	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3654	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3654	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3654	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3654	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3654	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3655	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3655	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3655	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3655	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3655	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3655	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3655	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3655	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3655	CCCCCC(=O)OCC	C123660
PADEL_KR3655	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3655	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3655	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3655	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3655	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3655	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3655	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3655	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3655	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3655	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3655	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3655	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3655	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3655	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3655	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3655	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3655	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3655	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3655	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3655	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3655	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3655	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3655	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3655	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3655	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3655	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3655	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3655	O=C(CC)OCC	C105373
PADEL_KR3655	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3655	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3655	O=C1CCC(O1)CC	C695067
PADEL_KR3655	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3655	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3655	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3655	O=C(CCC)OCCCCC	C540181
PADEL_KR3655	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3655	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3655	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3655	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3655	OC(C)C(=O)OCCCC	C138227
PADEL_KR3655	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3655	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3655	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3655	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3655	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3655	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3655	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3655	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3655	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3655	O=C1OC(CCC)CC1	C105215
PADEL_KR3655	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3655	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3655	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3655	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3655	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3655	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3655	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3655	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3655	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3655	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3655	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3655	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3655	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3655	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3655	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3655	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3655	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3655	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3655	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3655	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3655	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3655	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3655	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3655	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3655	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3655	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3655	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3655	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3655	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3655	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3655	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3655	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3655	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3655	O=C1CCCO1	C96480
PADEL_KR3655	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3655	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3655	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3655	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3655	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3655	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3655	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3655	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3655	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3655	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3655	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3655	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3655	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3655	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3655	O=C(OC)CCCCCCC	C111115
PADEL_KR3655	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3655	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3655	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3655	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3655	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3655	O=C(OC)CC(=O)OC	C108598
PADEL_KR3655	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3655	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3655	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3655	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3655	O=C(CCC)OCC	C105544
PADEL_KR3655	O=C(OCC)CCCCCC	C106309
PADEL_KR3655	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3655	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3655	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3655	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3655	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3655	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3655	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3655	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3655	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3655	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3655	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3655	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3655	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3655	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3655	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3655	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3655	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3655	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3655	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3655	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3655	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3655	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3655	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3655	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3655	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3655	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3655	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3655	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3655	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3655	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3655	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3655	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3655	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3655	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3655	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3656	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3656	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3657	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3657	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3657	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3657	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3657	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3657	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3657	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3657	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3657	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3657	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3657	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3657	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3657	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3657	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3657	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3657	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3657	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3657	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3657	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3657	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3657	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3657	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3657	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3657	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3657	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3657	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3657	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3657	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3657	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3657	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3657	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3657	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3657	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3657	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3657	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3657	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3657	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3657	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3657	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3657	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3657	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3657	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3657	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3657	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3657	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3657	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3657	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3657	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3657	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3657	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3657	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3657	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3657	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3657	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3657	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3657	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3657	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3657	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3657	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3657	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3657	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3657	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3657	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3657	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3657	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3657	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3657	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3657	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3657	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3657	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3657	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3657	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3657	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3657	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3657	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3657	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3657	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3657	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3657	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3657	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3657	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3657	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3657	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3657	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3657	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3657	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3657	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3657	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3657	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3657	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3657	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3657	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3657	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3657	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3657	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3657	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3657	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3657	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3657	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3657	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3657	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3657	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3657	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3657	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3657	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3657	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3657	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3657	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3657	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3657	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3657	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3657	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3657	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3657	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3657	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3657	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3657	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3657	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3657	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3657	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3657	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3657	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3657	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3657	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3657	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3658	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3658	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3658	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3658	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3658	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3658	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3658	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3658	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3658	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3658	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3658	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3658	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3658	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3658	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3658	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3658	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3659	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3659	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3659	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3659	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3659	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3659	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3659	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3659	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3659	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3659	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3659	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3659	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3659	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3659	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3659	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3659	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3659	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3659	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3659	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3659	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3659	CC(O)CC(C)(C)O	C107415
PADEL_KR3659	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3659	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3659	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3659	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3659	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3659	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3659	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3659	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3659	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3659	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3659	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3659	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3659	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3659	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3659	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3659	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3659	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3659	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3659	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3659	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3659	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3659	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3659	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3659	C(CC)(C=O)CCCC	C123057
PADEL_KR3659	OCC(C(O)CCC)CC	C94962
PADEL_KR3659	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3659	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3659	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3659	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3659	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3659	N#CC(CCC#N)C	C4553622
PADEL_KR3659	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3659	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3659	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3659	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3659	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3659	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3659	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3659	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3659	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3659	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3659	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3659	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3659	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3659	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3659	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3659	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3659	SC(C)(C)CCCCCC	C25360105
PADEL_KR3659	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3659	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3659	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3659	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3659	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3659	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3659	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3659	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3659	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3659	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3659	OCC(CCC)CCCCC	C10042598
PADEL_KR3659	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3659	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3659	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3659	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3659	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3659	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3659	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3659	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3659	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3659	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3659	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3659	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3659	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3659	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3659	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3659	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3659	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3659	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3659	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3659	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3659	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3659	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3659	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3659	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3659	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3659	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3659	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3659	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3659	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3659	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3659	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3659	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3659	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3659	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3659	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3659	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3659	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3659	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3659	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3659	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3659	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3659	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3659	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3659	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3659	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3659	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3659	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3659	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3659	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3659	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3659	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3659	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3659	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3659	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3659	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3659	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3659	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3659	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3659	OCCOCC(CC)CCCC	C1559359
PADEL_KR3659	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3659	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3659	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3659	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3659	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3659	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3659	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3659	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3659	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3659	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3659	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3659	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3659	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3659	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3659	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3659	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3659	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3659	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3659	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3659	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3659	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3659	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3659	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3659	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3659	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3659	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3659	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3659	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3659	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3659	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3659	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3659	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3659	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3659	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3659	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3659	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3659	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3659	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3659	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3659	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3659	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3659	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3659	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3659	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3659	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3659	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3659	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3659	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3659	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3659	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3659	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3659	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3659	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3659	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3659	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3659	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3659	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3659	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3659	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3659	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3659	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3659	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3659	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3659	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3659	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3659	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3659	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3659	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3659	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3659	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3659	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3659	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3659	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3659	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3659	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3659	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3659	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3659	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3659	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3659	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3659	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3659	CCC(CCCC)CO	C104767
PADEL_KR3659	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3659	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3659	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3659	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3659	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3659	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3659	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3659	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3659	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3659	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3659	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3659	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3659	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3659	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3659	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3659	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3659	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3659	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3659	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3659	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3659	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3659	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3659	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3659	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3659	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3659	O=C(O)C(CCCC)CC	C149575
PADEL_KR3659	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3659	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3659	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3659	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3659	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3659	OC(CC(C)C)C	C108112
PADEL_KR3659	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3659	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3659	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3659	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3659	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3659	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3659	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3659	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3659	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3659	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3659	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3659	CCC12N(COC1)COC2	C7747355
PADEL_KR3659	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3659	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3659	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3659	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3659	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3659	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3659	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3659	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3659	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3659	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3659	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3659	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3659	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3659	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3659	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3659	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3659	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3659	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3659	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3659	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3659	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3659	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3659	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3659	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3659	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3659	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3659	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3659	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3659	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3659	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3659	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3659	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3659	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3659	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3659	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3659	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3659	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3659	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3659	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3659	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3659	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3659	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3659	C(CO)C(C)C	C123513
PADEL_KR3659	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3659	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3659	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3659	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3659	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3659	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3659	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3659	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3659	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3659	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3659	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3659	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3659	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3659	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3659	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3659	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3659	CC(=O)CCC(C)C	C110123
PADEL_KR3659	CC(=O)CC(C)C	C108101
PADEL_KR3659	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3659	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3659	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3659	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3659	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3659	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3659	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3659	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3659	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3659	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3659	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3659	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3659	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3659	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3659	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3659	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3659	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3659	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3659	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3659	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3659	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3659	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3659	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3659	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3659	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3659	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3659	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3659	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3659	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3659	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3659	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3659	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3659	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3659	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3659	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3659	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3659	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3659	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3659	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3659	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3659	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3659	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3659	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3659	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3659	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3659	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3659	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3660	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3660	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3660	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3660	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3660	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3660	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3660	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3660	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3660	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3660	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3660	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3660	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3660	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3660	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3660	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3660	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3660	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3660	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3660	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3660	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3660	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3660	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3660	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3660	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3660	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3660	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3660	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3660	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3660	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3660	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3660	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3660	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3660	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3660	C(CC)(C=O)CCCC	C123057
PADEL_KR3660	OCC(C(O)CCC)CC	C94962
PADEL_KR3660	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3660	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3660	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3660	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3660	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3660	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3660	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3660	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3660	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3660	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3660	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3660	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3660	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3660	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3660	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3660	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3660	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3660	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3660	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3660	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3660	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3660	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3660	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3660	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3660	OCC(CCC)CCCCC	C10042598
PADEL_KR3660	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3660	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3660	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3660	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3660	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3660	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3660	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3660	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3660	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3660	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3660	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3660	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3660	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3660	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3660	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3660	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3660	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3660	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3660	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3660	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3660	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3660	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3660	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3660	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3660	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3660	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3660	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3660	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3660	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3660	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3660	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3660	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3660	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3660	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3660	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3660	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3660	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3660	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3660	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3660	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3660	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3660	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3660	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3660	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3660	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3660	OCCOCC(CC)CCCC	C1559359
PADEL_KR3660	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3660	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3660	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3660	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3660	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3660	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3660	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3660	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3660	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3660	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3660	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3660	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3660	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3660	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3660	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3660	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3660	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3660	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3660	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3660	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3660	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3660	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3660	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3660	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3660	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3660	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3660	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3660	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3660	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3660	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3660	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3660	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3660	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3660	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3660	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3660	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3660	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3660	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3660	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3660	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3660	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3660	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3660	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3660	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3660	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3660	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3660	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3660	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3660	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3660	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3660	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3660	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3660	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3660	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3660	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3660	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3660	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3660	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3660	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3660	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3660	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3660	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3660	CCC(CCCC)CO	C104767
PADEL_KR3660	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3660	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3660	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3660	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3660	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3660	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3660	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3660	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3660	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3660	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3660	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3660	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3660	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3660	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3660	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3660	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3660	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3660	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3660	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3660	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3660	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3660	O=C(O)C(CCCC)CC	C149575
PADEL_KR3660	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3660	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3660	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3660	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3660	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3660	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3660	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3660	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3660	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3660	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3660	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3660	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3660	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3660	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3660	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3660	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3660	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3660	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3660	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3660	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3660	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3660	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3660	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3660	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3660	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3660	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3660	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3660	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3660	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3660	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3660	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3660	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3660	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3660	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3660	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3660	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3660	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3660	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3660	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3660	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3660	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3660	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3660	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3660	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3660	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3660	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3660	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3660	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3660	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3660	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3660	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3660	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3660	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3660	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3660	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3660	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3660	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3660	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3660	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3660	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3660	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3660	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3660	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3660	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3660	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3660	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3660	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3660	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3660	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3660	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3660	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3660	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3660	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3660	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3660	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3660	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3660	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3660	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3660	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3660	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3660	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3660	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3660	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3660	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3660	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3661	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3661	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3661	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3661	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3661	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3661	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3661	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3661	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3661	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3661	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3661	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3661	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3661	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3661	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3661	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3661	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3661	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3661	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3661	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3661	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3661	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3661	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3661	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3661	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3661	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3661	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3661	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3661	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3661	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3661	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3661	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3661	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3661	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3661	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3661	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3661	NC1CCCCC1	C108918
PADEL_KR3661	CCC12N(COC1)COC2	C7747355
PADEL_KR3661	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3661	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3661	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3661	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3661	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3661	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3661	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3661	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3661	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3661	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3661	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3661	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3661	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3661	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3661	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3661	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3661	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3661	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3661	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3661	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3661	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3661	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3661	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3661	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3661	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3661	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3661	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3661	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3661	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3661	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3661	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3661	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3661	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3661	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3661	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3661	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3661	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3661	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3661	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3661	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3661	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3661	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3661	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3661	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3661	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3661	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3661	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3661	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3661	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3661	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3661	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3661	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3661	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3661	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3661	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3661	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3661	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3661	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3661	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3662	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3662	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3662	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3662	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3662	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3662	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3662	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3662	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3662	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3662	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3662	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3662	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3662	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3662	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3662	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3662	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3662	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3662	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3662	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3662	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3662	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3662	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3662	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3662	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3662	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3662	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3662	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3662	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3662	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3662	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3662	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3662	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3662	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3662	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3662	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3662	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3662	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3662	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3663	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3663	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3663	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3663	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3663	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3663	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3663	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3663	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3665	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3665	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3665	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3665	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3665	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3665	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3665	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3665	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3665	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3665	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3665	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3665	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3665	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3665	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3665	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3665	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3665	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3665	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3665	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3665	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3665	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3667	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3667	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3667	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3667	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3667	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3667	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3667	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3668	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3668	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3668	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3668	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3668	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3668	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3668	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3668	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3668	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3668	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3668	CCC(=CCCC)C=O	C645625
PADEL_KR3668	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3668	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3668	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3668	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3668	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3668	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR3668	O=C(C=C(C)C)C	C141797
PADEL_KR3668	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3668	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3668	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3668	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3668	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3668	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3668	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3668	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3668	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3668	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3668	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3668	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3668	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR3668	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3668	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3668	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3668	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3668	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3668	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3668	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3668	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3668	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3668	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3668	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3668	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3668	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3668	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3668	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3668	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3668	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3668	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3668	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3668	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3668	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3668	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3668	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3668	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3668	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3668	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3668	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3668	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3668	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3668	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3668	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3668	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3668	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3668	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3668	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3668	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3668	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3668	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3668	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3668	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR3668	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3668	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3668	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3668	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3668	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3668	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3668	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3668	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3668	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3668	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3668	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3668	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3668	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3668	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3668	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3668	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3668	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3668	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3668	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3668	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3668	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3668	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3668	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3668	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3668	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3668	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3669	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3670	ON=C1CCCCC1	C100641
PADEL_KR3670	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3670	ON=CCCC	C110690
PADEL_KR3670	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3670	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3670	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3670	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3670	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3670	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3670	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3670	CCC(=NO)C	C96297
PADEL_KR3670	ON=CC(C)(C)SC	C1646759
PADEL_KR3671	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3671	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3671	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3671	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3671	O=C1CCCCC1	C108941
PADEL_KR3671	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3671	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3671	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3671	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3671	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3671	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3671	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3671	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3671	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3671	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3671	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3671	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3671	CCCCCCCCCC=O	C112312
PADEL_KR3671	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3671	O=CCCCCCC	C111717
PADEL_KR3671	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3671	CCCCCCCCC=O	C124196
PADEL_KR3671	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3671	OC(=O)CCCC	C109524
PADEL_KR3671	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3671	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3671	CCCC(=O)C	C107879
PADEL_KR3671	CCCCCC(=O)C	C110430
PADEL_KR3671	CCCCCCCCCC(=O)C	C112129
PADEL_KR3671	CCCCCC(=O)OCC	C123660
PADEL_KR3671	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3671	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3671	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3671	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3671	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3671	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3671	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3671	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3671	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3671	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3671	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3671	C(=O)(O)C(C)O	C50215
PADEL_KR3671	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3671	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3671	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3671	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3671	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3671	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3671	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3671	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3671	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3671	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3671	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3671	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3671	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3671	C(CC)(C=O)CCCC	C123057
PADEL_KR3671	CCC(=CCCC)C=O	C645625
PADEL_KR3671	O=CCCCC=O	C111308
PADEL_KR3671	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3671	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3671	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3671	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3671	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3671	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3671	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3671	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3671	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3671	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3671	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3671	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3671	O=C1NCCC1	C616455
PADEL_KR3671	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3671	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3671	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3671	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3671	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3671	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3671	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3671	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3671	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3671	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3671	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3671	O=C1CCCC1	C120923
PADEL_KR3671	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3671	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3671	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3671	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3671	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3671	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3671	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3671	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3671	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3671	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3671	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3671	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3671	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3671	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3671	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3671	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3671	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3671	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3671	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3671	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3671	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3671	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3671	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3671	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3671	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3671	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3671	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3671	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3671	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3671	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3671	O=C(CC)OCC	C105373
PADEL_KR3671	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3671	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3671	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3671	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3671	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3671	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3671	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3671	O=C1CCC(O1)CC	C695067
PADEL_KR3671	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3671	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3671	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3671	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3671	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3671	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3671	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3671	O=C(CCC)OCCCCC	C540181
PADEL_KR3671	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3671	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3671	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3671	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3671	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3671	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3671	O=C(CC)CCCCC	C106683
PADEL_KR3671	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3671	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3671	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3671	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3671	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3671	OC(C)C(=O)OCCCC	C138227
PADEL_KR3671	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3671	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3671	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3671	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3671	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3671	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3671	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3671	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3671	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3671	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3671	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3671	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3671	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3671	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3671	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3671	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3671	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3671	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3671	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3671	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3671	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3671	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3671	O=C1OC(CCC)CC1	C105215
PADEL_KR3671	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3671	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3671	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3671	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3671	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3671	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3671	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3671	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3671	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3671	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3671	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3671	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3671	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3671	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3671	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3671	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3671	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3671	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3671	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3671	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3671	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3671	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3671	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3671	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3671	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3671	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3671	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3671	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3671	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3671	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3671	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3671	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3671	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3671	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3671	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3671	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3671	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3671	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3671	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3671	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3671	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3671	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3671	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3671	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3671	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3671	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3671	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3671	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3671	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3671	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3671	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3671	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3671	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3671	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3671	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3671	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3671	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3671	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3671	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3671	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3671	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3671	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3671	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3671	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3671	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3671	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3671	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3671	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3671	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3671	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3671	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3671	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3671	O=C1CCCO1	C96480
PADEL_KR3671	O=C1CCCCCN1	C105602
PADEL_KR3671	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3671	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3671	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3671	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3671	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3671	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3671	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3671	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3671	O=C1N(CCC1)C	C872504
PADEL_KR3671	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3671	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3671	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3671	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3671	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3671	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3671	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3671	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3671	O=C1N(C=C)CCC1	C88120
PADEL_KR3671	OC(=O)CCC	C107926
PADEL_KR3671	CCCCCCCCCC(=O)O	C334485
PADEL_KR3671	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3671	O=C(O)CCCCCC	C111148
PADEL_KR3671	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3671	CCCCCC(=O)O	C142621
PADEL_KR3671	CCCCCCCCC(=O)O	C112050
PADEL_KR3671	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3671	CCCCCCCC=O	C124130
PADEL_KR3671	CCCCCCCC(=O)O	C124072
PADEL_KR3671	CCCCC=O	C110623
PADEL_KR3671	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3671	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3671	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3671	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3671	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3671	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3671	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3671	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3671	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3671	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3671	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3671	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3671	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3671	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3671	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3671	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3671	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3671	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3671	O=C(O)C(CCCC)CC	C149575
PADEL_KR3671	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3671	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3671	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3671	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3671	O=C(OC)CCCCCCC	C111115
PADEL_KR3671	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3671	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3671	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3671	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3671	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3671	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3671	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3671	O=C(OC)CC(=O)OC	C108598
PADEL_KR3671	O=C(N)C(=C)C	C79390
PADEL_KR3671	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3671	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3671	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3671	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3671	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3671	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3671	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3671	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3671	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3671	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3671	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3671	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3671	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3671	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3671	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3671	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3671	O=C(CCC)OCC	C105544
PADEL_KR3671	O=C(OCC)CCCCCC	C106309
PADEL_KR3671	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3671	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3671	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3671	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3671	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3671	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3671	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3671	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3671	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3671	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3671	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3671	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3671	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3671	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3671	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3671	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3671	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3671	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3671	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3671	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3671	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3671	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3671	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3671	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3671	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3671	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3671	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3671	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3671	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3671	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3671	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3671	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3671	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3671	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3671	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3671	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3671	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3671	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3671	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3671	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3671	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3671	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3671	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3671	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3671	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3671	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3671	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3671	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3671	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3671	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3671	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3671	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3671	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3671	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3671	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3671	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3671	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3671	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3671	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3671	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3671	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3671	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3671	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3671	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3671	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3671	O=CCCSC	C3268493
PADEL_KR3671	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3671	CC(=O)CCC(C)C	C110123
PADEL_KR3671	CC(=O)CC(C)C	C108101
PADEL_KR3671	CC(C)C=O	C78842
PADEL_KR3671	CCCCCC=O	C66251
PADEL_KR3671	CCCC=O	C123728
PADEL_KR3671	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3671	CC1CC(=O)O1	C3068880
PADEL_KR3671	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3671	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3671	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3671	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3671	CC(=O)C(=O)O	C127173
PADEL_KR3671	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3671	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3671	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3671	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3671	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3671	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3671	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3671	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3671	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3671	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3671	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3671	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3671	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3671	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3671	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3671	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3671	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3671	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3671	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3671	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3671	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3671	O=CCCCCCCCCC=C	C112458
PADEL_KR3671	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3671	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3671	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3671	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3671	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3671	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3671	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3671	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3671	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3671	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3671	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3671	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3671	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3671	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3671	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3671	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3671	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3671	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3671	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3671	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3671	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3671	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3671	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3671	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3671	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3671	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3671	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3671	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3671	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3671	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3671	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3671	CCC(=O)C(=O)CC	C4437518
PADEL_KR3674	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3675	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3675	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3675	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3675	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3675	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3676	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3676	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3676	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3678	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3678	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3678	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3678	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3680	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3680	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3680	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3680	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3680	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3680	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3680	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3680	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3680	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3680	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3680	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3680	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3680	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3680	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3680	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3680	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3681	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3681	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3681	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3681	C=CCc1ccc(cc1)OC	C140670
PADEL_KR3681	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3681	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3681	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3681	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3681	Oc1ccc(CC)cc1	C123079
PADEL_KR3681	Oc1ccc(CCC)cc1	C645567
PADEL_KR3681	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3681	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3681	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3681	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3681	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3681	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3681	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3681	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3681	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3681	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3681	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3681	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3681	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3681	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3681	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3681	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3681	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3681	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3681	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3681	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3681	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3681	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3681	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3681	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3681	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3681	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3681	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3681	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3681	COc1ccc(CCC)cc1	C104450
PADEL_KR3681	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3681	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3681	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3681	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3681	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3681	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3681	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3681	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3681	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3681	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3681	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3681	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3681	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3681	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3681	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3681	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3681	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3681	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3681	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3681	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3681	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3681	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3681	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3681	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3681	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3681	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3681	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3681	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3681	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3681	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3681	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3681	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3681	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR3681	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3681	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3681	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3681	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3681	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3681	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3681	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3681	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3681	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3681	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3681	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3681	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3681	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3681	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3681	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3681	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3681	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3681	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3681	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3681	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3681	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3681	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3681	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3681	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3681	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3681	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3681	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3681	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3681	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3682	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3682	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3682	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR3682	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3682	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3682	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR3682	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR3682	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3682	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3682	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3682	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3682	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3682	C=CCc1ccc(cc1)OC	C140670
PADEL_KR3682	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3682	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3682	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3682	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3682	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3682	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3682	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR3682	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3682	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3682	O=CCc1ccccc1	C122781
PADEL_KR3682	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3682	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3682	Oc1ccc(CC)cc1	C123079
PADEL_KR3682	Oc1ccc(CCC)cc1	C645567
PADEL_KR3682	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3682	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3682	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3682	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3682	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3682	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3682	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3682	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR3682	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3682	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3682	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3682	c1(c(CC)cccc1)O	C90006
PADEL_KR3682	c1c(O)cccc1CC	C620177
PADEL_KR3682	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3682	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR3682	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3682	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR3682	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3682	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3682	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3682	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3682	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR3682	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3682	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3682	c1(ccc(cc1)C)C(C)(C)C	C98511
PADEL_KR3682	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3682	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3682	c12ccccc1CCCC2	C119642
PADEL_KR3682	OCCc1ccccc1	C60128
PADEL_KR3682	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3682	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3682	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3682	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR3682	Nc1c(C)cccc1CC	C24549062
PADEL_KR3682	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3682	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3682	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3682	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR3682	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PADEL_KR3682	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR3682	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3682	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3682	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3682	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3682	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3682	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3682	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3682	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3682	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3682	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3682	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR3682	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3682	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3682	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3682	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3682	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3682	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3682	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PADEL_KR3682	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3682	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3682	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3682	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3682	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR3682	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3682	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3682	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR3682	O=C(c1ccccc1O)C	C118934
PADEL_KR3682	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3682	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3682	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3682	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3682	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3682	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PADEL_KR3682	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3682	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3682	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR3682	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3682	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3682	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3682	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3682	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3682	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3682	c12ccccc1CC=C2	C95136
PADEL_KR3682	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR3682	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR3682	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR3682	COc1ccc(CCC)cc1	C104450
PADEL_KR3682	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR3682	OC(CO)c1ccccc1	C93561
PADEL_KR3682	Oc1c(C(C)C)cccc1	C88697
PADEL_KR3682	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR3682	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3682	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR3682	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR3682	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR3682	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3682	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3682	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3682	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3682	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3682	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3682	Nc1ccc(CCC)cc1	C2696846
PADEL_KR3682	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR3682	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3682	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3682	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3682	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3682	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR3682	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3682	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PADEL_KR3682	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3682	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR3682	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3682	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3682	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3682	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3682	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3682	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3682	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3682	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3682	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3682	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3682	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3682	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3682	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3682	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3682	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3682	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3682	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3682	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3682	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3682	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3682	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3682	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3682	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3682	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3682	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3682	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3682	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3682	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3682	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3682	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3682	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3682	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3682	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3682	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3682	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3682	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3682	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3682	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3682	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3682	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3682	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3682	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3682	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3682	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3682	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3682	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3682	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR3682	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR3682	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3682	O=C(c1ccccc1)CCl	C532274
PADEL_KR3682	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3682	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3682	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3682	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3682	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3682	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3682	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3682	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3682	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3682	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3682	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3682	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3682	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3682	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3682	C1C(c2ccccc2)O1	C96093
PADEL_KR3682	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3682	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR3682	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3682	c1ccc2cccc3c2c1CC3	C83329
PADEL_KR3682	c1ccccc1C(=O)C	C98862
PADEL_KR3682	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3682	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3682	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3682	c1(CCCC)ccccc1	C104518
PADEL_KR3682	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3682	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3682	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3682	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3682	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3682	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3682	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3682	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3682	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3682	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3682	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3682	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3682	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR3682	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR3682	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR3682	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR3682	CC(C)c1cccc(C(C)C)c1	C99627
PADEL_KR3682	CC(C)c1ccc(C)cc1	C99876
PADEL_KR3682	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3682	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR3682	Nc1c(CC)cccc1CC	C579668
PADEL_KR3682	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3682	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3682	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3682	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR3682	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3682	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3682	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3682	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3682	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR3682	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3682	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR3682	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3682	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR3682	CCCc1ccccc1	C103651
PADEL_KR3682	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3682	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR3682	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3682	CC(C)(C)c1ccccc1	C98066
PADEL_KR3682	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3682	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3682	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3682	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3682	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3682	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3682	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3682	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3682	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3682	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3682	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3682	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3682	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3682	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3682	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3682	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3682	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3682	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3682	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3682	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3682	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3682	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3682	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3682	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3682	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3682	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3682	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3682	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3682	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3682	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3682	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3682	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3682	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3682	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3682	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3682	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3682	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3682	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3682	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3682	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3682	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3682	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3682	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3682	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3682	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3682	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3682	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3682	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3682	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3682	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3682	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3682	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3682	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3682	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3682	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3682	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3682	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3682	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3682	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3682	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3682	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3682	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3682	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3682	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR3682	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3682	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3682	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3682	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3682	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3682	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3682	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3682	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3682	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3682	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3682	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3682	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR3682	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3682	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR3682	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3682	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3682	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3682	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3682	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3682	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3682	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3682	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3682	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3682	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR3682	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3682	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3682	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3682	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3682	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3682	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3682	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3682	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3682	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3682	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3682	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3682	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3682	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3682	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3682	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3682	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3682	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3682	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3682	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3682	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3682	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3682	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3682	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR3682	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3682	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3682	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3682	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR3682	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3682	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3682	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3682	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3682	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3682	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3682	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3682	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3682	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3682	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3682	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR3682	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3682	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3682	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3682	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3682	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3682	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3682	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3682	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3682	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3682	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3682	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3682	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3683	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3683	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3683	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3683	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3683	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3683	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3690	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3691	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3692	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3692	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3692	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3692	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3692	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3692	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3692	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3692	O=C1CCCCC1	C108941
PADEL_KR3692	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3692	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3692	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3692	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3692	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3692	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3692	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3692	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3692	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3692	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3692	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3692	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3692	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3692	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3692	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3692	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3692	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3692	O=NN1CCCC1	C930552
PADEL_KR3692	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3692	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3692	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3692	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3692	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3692	OCCOCCOCCOCCCC	C143226
PADEL_KR3692	CCCCCCCCCC=O	C112312
PADEL_KR3692	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3692	O=CCCCCCC	C111717
PADEL_KR3692	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3692	CCCCCCCCC=O	C124196
PADEL_KR3692	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3692	OC(=O)CCCC	C109524
PADEL_KR3692	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3692	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3692	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3692	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3692	ON=C1CCCCC1	C100641
PADEL_KR3692	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3692	CC(O)CC(C)(C)O	C107415
PADEL_KR3692	CCCC(=O)C	C107879
PADEL_KR3692	C1CCCCC1O	C108930
PADEL_KR3692	CCCCCC(=O)C	C110430
PADEL_KR3692	CCCCCCO	C111273
PADEL_KR3692	CCCCCCCO	C111706
PADEL_KR3692	CCCCCCCCCC(=O)C	C112129
PADEL_KR3692	CCCCCC(=O)OCC	C123660
PADEL_KR3692	CCCCCCCCCCCCN	C124221
PADEL_KR3692	CCCCCCCCCO	C143088
PADEL_KR3692	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3692	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PADEL_KR3692	CCCCCCCCCCN	C2016571
PADEL_KR3692	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3692	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3692	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3692	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3692	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3692	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3692	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3692	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3692	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3692	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3692	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3692	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3692	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3692	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3692	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3692	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3692	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3692	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3692	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3692	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3692	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3692	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3692	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3692	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3692	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3692	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3692	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3692	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3692	ON=CCCC	C110690
PADEL_KR3692	OCCCCO	C110634
PADEL_KR3692	O=C(OCCCC)C=C	C141322
PADEL_KR3692	C(OCCCC)C1CO1	C2426086
PADEL_KR3692	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3692	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3692	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3692	C(CCN)CCCN	C124094
PADEL_KR3692	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3692	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3692	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3692	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3692	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3692	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3692	C(CCCCCC)CCCCCS	C112550
PADEL_KR3692	C(CC)(C=O)CCCC	C123057
PADEL_KR3692	OCC(C(O)CCC)CC	C94962
PADEL_KR3692	CCC(=CCCC)C=O	C645625
PADEL_KR3692	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3692	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3692	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3692	O=CCCCC=O	C111308
PADEL_KR3692	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3692	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3692	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3692	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3692	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3692	N#CC(CCC#N)C	C4553622
PADEL_KR3692	C(CCCCCCC)C	C111842
PADEL_KR3692	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3692	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3692	c12ccccc1CCCC2	C119642
PADEL_KR3692	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3692	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3692	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3692	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3692	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3692	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3692	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3692	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3692	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3692	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3692	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3692	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3692	N1CCCCCC1	C111499
PADEL_KR3692	O=C(C)OCCOCCCC	C112072
PADEL_KR3692	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3692	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3692	OC(CCCCCC)C	C123966
PADEL_KR3692	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3692	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3692	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3692	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3692	O=C1NCCC1	C616455
PADEL_KR3692	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR3692	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3692	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3692	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3692	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3692	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3692	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3692	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3692	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3692	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3692	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3692	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3692	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3692	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3692	SC(C)(C)CCCCCC	C25360105
PADEL_KR3692	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3692	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3692	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3692	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3692	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3692	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3692	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3692	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3692	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3692	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3692	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3692	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3692	OCC1OCCC1	C97994
PADEL_KR3692	O=C1CCCC1	C120923
PADEL_KR3692	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3692	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3692	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3692	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR3692	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3692	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3692	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3692	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3692	OCC(CCC)CCCCC	C10042598
PADEL_KR3692	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3692	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3692	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3692	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3692	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3692	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3692	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3692	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3692	OC(OCCCC)CC	C29387868
PADEL_KR3692	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3692	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3692	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3692	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3692	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3692	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3692	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3692	OCCSCCCCCCCC	C3547339
PADEL_KR3692	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3692	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3692	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3692	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3692	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3692	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3692	OC1CCCC1	C96413
PADEL_KR3692	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3692	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3692	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3692	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3692	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3692	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3692	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3692	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3692	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3692	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3692	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3692	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3692	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3692	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR3692	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3692	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3692	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3692	OC(CCCCC)C=C	C3391864
PADEL_KR3692	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3692	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3692	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3692	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3692	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3692	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3692	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3692	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR3692	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3692	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3692	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3692	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3692	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3692	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3692	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3692	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3692	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3692	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3692	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3692	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3692	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3692	O=C1OCC(CC)O1	C4437858
PADEL_KR3692	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3692	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3692	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3692	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3692	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3692	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3692	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3692	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3692	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3692	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3692	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3692	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3692	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3692	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3692	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3692	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3692	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3692	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3692	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3692	O=C1CCC(O1)CC	C695067
PADEL_KR3692	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3692	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3692	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3692	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3692	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3692	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3692	O=C/C=C/CCC	C6728263
PADEL_KR3692	O1C=CCCC1	C110872
PADEL_KR3692	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3692	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3692	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3692	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3692	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3692	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3692	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3692	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3692	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3692	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3692	O=C(CCC)OCCCCC	C540181
PADEL_KR3692	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3692	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3692	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3692	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3692	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3692	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3692	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3692	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3692	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3692	OCCOCC(CC)CCCC	C1559359
PADEL_KR3692	O=C(CC)CCCCC	C106683
PADEL_KR3692	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3692	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3692	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3692	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3692	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3692	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3692	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3692	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3692	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3692	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3692	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3692	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3692	OC(C)C(=O)OCCCC	C138227
PADEL_KR3692	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3692	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3692	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3692	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3692	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3692	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3692	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3692	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3692	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3692	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR3692	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3692	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3692	O=C(C)OCCCCCCCC	C112141
PADEL_KR3692	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3692	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3692	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3692	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3692	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3692	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3692	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3692	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3692	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3692	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3692	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3692	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3692	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3692	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3692	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3692	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3692	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3692	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3692	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3692	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3692	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3692	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3692	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3692	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3692	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3692	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3692	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3692	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3692	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3692	O=C1OC(CCC)CC1	C105215
PADEL_KR3692	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3692	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3692	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3692	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3692	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3692	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3692	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3692	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3692	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3692	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3692	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3692	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3692	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3692	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3692	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3692	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3692	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3692	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3692	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3692	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3692	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3692	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3692	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3692	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3692	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3692	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3692	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3692	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3692	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3692	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR3692	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3692	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3692	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3692	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3692	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3692	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3692	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3692	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3692	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3692	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3692	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3692	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3692	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3692	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3692	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR3692	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3692	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3692	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3692	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3692	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3692	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3692	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3692	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3692	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3692	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3692	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3692	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3692	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3692	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3692	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3692	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3692	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3692	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3692	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3692	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3692	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3692	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3692	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3692	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3692	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3692	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3692	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3692	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3692	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3692	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3692	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3692	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3692	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3692	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3692	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3692	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3692	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3692	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3692	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3692	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3692	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3692	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3692	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3692	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3692	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3692	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3692	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3692	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3692	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3692	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3692	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3692	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3692	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3692	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3692	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3692	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3692	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3692	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3692	O=C1CCCO1	C96480
PADEL_KR3692	O=C1CCCCCN1	C105602
PADEL_KR3692	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3692	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3692	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3692	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3692	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3692	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3692	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3692	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3692	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3692	CCC(CCCC)CO	C104767
PADEL_KR3692	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3692	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3692	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3692	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3692	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3692	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3692	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3692	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3692	O=C1N(CCC1)C	C872504
PADEL_KR3692	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3692	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3692	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3692	O=NN(CCCC)CCCC	C924163
PADEL_KR3692	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3692	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3692	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3692	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3692	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3692	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3692	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3692	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3692	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3692	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3692	O=C1N(C=C)CCC1	C88120
PADEL_KR3692	OC(=O)CCC	C107926
PADEL_KR3692	CCCCOCCOCCO	C112345
PADEL_KR3692	CCCCCCCCCC(=O)O	C334485
PADEL_KR3692	O=C(O)CCCCCC	C111148
PADEL_KR3692	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3692	CCCCCC(=O)O	C142621
PADEL_KR3692	CCCCCCCCC(=O)O	C112050
PADEL_KR3692	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3692	CCCCCCCC=O	C124130
PADEL_KR3692	CCCCCCCC(=O)O	C124072
PADEL_KR3692	CCCCC=O	C110623
PADEL_KR3692	CCCCCCCCCCC	C1120214
PADEL_KR3692	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3692	CCC(=NO)C	C96297
PADEL_KR3692	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3692	N#CCCCCC#N	C111693
PADEL_KR3692	CCCCCCCCO	C111875
PADEL_KR3692	CCCCCCCCCCO	C112301
PADEL_KR3692	CCCCCCCCCCCCCO	C112709
PADEL_KR3692	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3692	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3692	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3692	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3692	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3692	c1(CCCC)ccccc1	C104518
PADEL_KR3692	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3692	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3692	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3692	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3692	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3692	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3692	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3692	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3692	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3692	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3692	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3692	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3692	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3692	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3692	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3692	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3692	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3692	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3692	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3692	NC1CCCCC1	C108918
PADEL_KR3692	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3692	CCCCOCCO	C111762
PADEL_KR3692	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3692	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3692	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3692	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3692	C(CCCCCCCC)C	C124185
PADEL_KR3692	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3692	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3692	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3692	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3692	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3692	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3692	O=C(O)C(CCCC)CC	C149575
PADEL_KR3692	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3692	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR3692	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3692	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3692	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3692	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3692	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3692	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3692	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3692	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3692	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3692	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3692	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3692	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3692	OCCC(O)C	C107880
PADEL_KR3692	OC(CC(C)C)C	C108112
PADEL_KR3692	O=C(OC)CCCCCCC	C111115
PADEL_KR3692	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3692	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3692	OCCOCCCCCC	C112254
PADEL_KR3692	OCCCCCCCCCCC	C112425
PADEL_KR3692	OCCCCCCCCCCCC	C112538
PADEL_KR3692	OCCCCCCCCCCCCCC	C112721
PADEL_KR3692	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3692	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3692	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3692	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3692	O=C(C)OCCCCC	C628637
PADEL_KR3692	CCCCCCCCCCCCCCC	C629629
PADEL_KR3692	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3692	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3692	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR3692	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3692	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3692	C1=CCCC=CCCC=CCC1	C4904614
PADEL_KR3692	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3692	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3692	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3692	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3692	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3692	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3692	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3692	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3692	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3692	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3692	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3692	CCC12N(COC1)COC2	C7747355
PADEL_KR3692	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3692	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3692	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3692	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3692	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3692	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3692	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3692	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3692	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3692	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3692	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3692	CCCCCCCCN(C)C	C7378996
PADEL_KR3692	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3692	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3692	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3692	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3692	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3692	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3692	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3692	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3692	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3692	O=C(CCC)OCC	C105544
PADEL_KR3692	O=C(OCC)CCCCCC	C106309
PADEL_KR3692	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3692	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3692	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3692	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3692	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3692	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3692	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3692	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3692	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3692	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3692	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3692	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3692	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3692	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3692	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3692	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3692	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3692	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3692	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3692	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3692	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3692	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3692	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3692	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3692	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3692	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3692	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3692	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3692	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3692	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3692	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3692	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3692	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3692	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3692	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3692	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3692	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3692	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3692	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3692	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3692	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3692	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3692	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3692	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3692	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3692	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3692	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3692	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3692	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3692	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3692	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3692	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3692	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3692	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3692	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3692	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3692	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3692	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3692	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3692	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3692	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3692	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3692	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3692	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3692	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3692	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3692	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3692	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3692	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3692	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3692	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3692	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3692	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3692	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3692	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3692	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3692	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3692	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3692	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3692	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3692	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3692	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3692	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3692	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3692	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3692	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3692	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3692	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3692	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3692	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3692	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3692	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3692	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3692	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3692	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3692	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3692	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3692	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3692	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3692	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PADEL_KR3692	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3692	C(CO)C(C)C	C123513
PADEL_KR3692	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3692	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3692	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3692	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3692	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3692	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3692	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3692	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3692	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3692	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3692	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3692	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3692	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3692	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3692	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3692	OCCC(OC)C	C2517433
PADEL_KR3692	S=C(NCCCC)NCCCC	C109466
PADEL_KR3692	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3692	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3692	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3692	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3692	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3692	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3692	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3692	CC(=O)OCCCC	C123864
PADEL_KR3692	CC(=O)CCC(C)C	C110123
PADEL_KR3692	CC(=O)CC(C)C	C108101
PADEL_KR3692	CCCCCC=O	C66251
PADEL_KR3692	CCCC=O	C123728
PADEL_KR3692	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3692	CCC1CO1	C106887
PADEL_KR3692	CC1CC(=O)O1	C3068880
PADEL_KR3692	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3692	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3692	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3692	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3692	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3692	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3692	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3692	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3692	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3692	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3692	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3692	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3692	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3692	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3692	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3692	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3692	O=CC=CC=CCCCCC	C25152845
PADEL_KR3692	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3692	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3692	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3692	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3692	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3692	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3692	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3692	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3692	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3692	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3692	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3692	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3692	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3692	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3692	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3692	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR3692	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3692	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3692	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3692	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3692	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3692	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3692	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3692	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3692	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3692	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3692	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3692	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3692	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3692	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3692	O=CCCCCCCCCC=C	C112458
PADEL_KR3692	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3692	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3692	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3692	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3692	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3692	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3692	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3692	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3692	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3692	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3692	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3692	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3692	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3692	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3692	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3692	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3692	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3692	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3692	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3692	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3692	O=CN1CCCCC1	C2591868
PADEL_KR3692	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3692	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3692	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3692	BrCCCCCCCCCCCC	C143157
PADEL_KR3692	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3692	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3692	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3692	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3692	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3692	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3692	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3692	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3692	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3692	O=C(OCCCCO)C=C	C2478106
PADEL_KR3692	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3692	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3692	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3692	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3692	NCCCOCCCCCCCC	C15930662
PADEL_KR3692	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3692	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3692	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3692	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3692	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3692	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3692	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3692	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3692	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3692	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3692	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3692	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3692	SC1CCCC1	C1679078
PADEL_KR3692	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3692	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3692	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3692	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3692	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3692	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3692	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3692	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3692	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3692	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3692	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3692	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3692	CCCCCc1ccco1	C3777693
PADEL_KR3692	CCC(=O)C(=O)CC	C4437518
PADEL_KR3692	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3693	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3693	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3693	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3693	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3693	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3693	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3693	O=C1NCCC1	C616455
PADEL_KR3693	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3693	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3693	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3693	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3693	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3693	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3693	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3693	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3693	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3693	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3693	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3693	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3693	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3693	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3693	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3693	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3693	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3693	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3693	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3693	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3693	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3693	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3693	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3693	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3693	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3693	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3693	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3693	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3693	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3693	O=C1CCCCCN1	C105602
PADEL_KR3693	O=C1N(CCC1)C	C872504
PADEL_KR3693	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3693	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3693	O=C1N(C=C)CCC1	C88120
PADEL_KR3693	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3693	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3693	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3693	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3693	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3693	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3693	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3693	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3693	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3693	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3693	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3693	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3693	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3693	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3693	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3693	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3693	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3693	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3693	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3693	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3693	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3693	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3693	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3693	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3693	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3693	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3693	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3697	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3697	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3697	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3697	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3697	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3697	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3697	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3697	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3697	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3697	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3697	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3697	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3697	OC(=O)CCCC	C109524
PADEL_KR3697	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3697	CCCCCC(=O)OCC	C123660
PADEL_KR3697	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3697	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3697	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3697	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3697	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3697	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3697	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3697	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3697	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3697	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3697	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3697	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3697	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3697	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3697	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3697	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3697	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3697	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3697	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3697	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3697	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3697	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3697	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3697	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3697	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3697	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3697	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3697	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3697	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3697	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3697	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3697	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3697	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3697	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3697	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3697	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3697	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3697	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3697	O=C1CCC(O1)CC	C695067
PADEL_KR3697	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3697	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3697	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3697	O=C(CCC)OCCCCC	C540181
PADEL_KR3697	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3697	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3697	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3697	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3697	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3697	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3697	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3697	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3697	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3697	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3697	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3697	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3697	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3697	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3697	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3697	O=C1OC(CCC)CC1	C105215
PADEL_KR3697	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3697	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3697	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3697	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3697	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3697	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3697	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3697	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3697	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3697	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3697	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3697	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3697	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3697	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3697	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3697	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3697	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3697	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3697	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3697	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3697	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3697	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3697	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3697	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3697	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3697	O=C1CCCO1	C96480
PADEL_KR3697	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3697	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3697	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3697	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3697	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3697	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3697	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3697	OC(=O)CCC	C107926
PADEL_KR3697	CCCCCCCCCC(=O)O	C334485
PADEL_KR3697	O=C(O)CCCCCC	C111148
PADEL_KR3697	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3697	CCCCCC(=O)O	C142621
PADEL_KR3697	CCCCCCCCC(=O)O	C112050
PADEL_KR3697	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3697	CCCCCCCC(=O)O	C124072
PADEL_KR3697	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3697	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3697	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3697	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3697	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3697	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3697	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3697	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3697	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3697	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3697	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3697	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3697	O=C(O)C(CCCC)CC	C149575
PADEL_KR3697	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3697	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3697	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3697	O=C(OC)CCCCCCC	C111115
PADEL_KR3697	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3697	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3697	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3697	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3697	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3697	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3697	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3697	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3697	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3697	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3697	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3697	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3697	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3697	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3697	O=C(CCC)OCC	C105544
PADEL_KR3697	O=C(OCC)CCCCCC	C106309
PADEL_KR3697	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3697	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3697	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3697	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3697	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3697	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3697	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3697	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3697	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3697	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3697	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3697	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3697	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3697	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3697	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3697	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3697	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3697	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3697	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3697	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3697	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3697	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3697	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3697	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3697	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3697	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3697	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3697	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3697	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3697	CC1CC(=O)O1	C3068880
PADEL_KR3697	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3697	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3697	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3697	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3697	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3697	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3697	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3697	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3697	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3697	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3697	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3697	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3697	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3697	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3697	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3697	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3697	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3697	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3698	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3698	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3699	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3699	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3699	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3699	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3699	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3699	OCC1OCCC1	C97994
PADEL_KR3699	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3699	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3699	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3699	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3699	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3699	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3699	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3699	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3699	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3699	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3699	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3699	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3699	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3699	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3699	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3699	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3699	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3699	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3699	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3699	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3699	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3699	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3699	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3699	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3699	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3699	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3699	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3699	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3699	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3699	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3699	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3699	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3699	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3699	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3699	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3699	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3699	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3699	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3699	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3699	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3699	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3699	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3701	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3701	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3701	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3701	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3701	O=C1CCCCC1	C108941
PADEL_KR3701	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3701	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3701	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3701	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3701	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3701	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3701	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3701	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3701	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3701	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3701	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3701	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3701	CCCCCCCCCC=O	C112312
PADEL_KR3701	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3701	O=CCCCCCC	C111717
PADEL_KR3701	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3701	CCCCCCCCC=O	C124196
PADEL_KR3701	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3701	OC(=O)CCCC	C109524
PADEL_KR3701	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3701	CCCC(=O)C	C107879
PADEL_KR3701	CCCCCC(=O)C	C110430
PADEL_KR3701	CCCCCCCCCC(=O)C	C112129
PADEL_KR3701	CCCCCC(=O)OCC	C123660
PADEL_KR3701	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3701	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3701	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3701	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3701	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3701	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3701	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3701	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3701	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3701	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3701	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3701	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3701	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3701	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3701	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3701	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3701	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3701	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3701	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3701	C(CC)(C=O)CCCC	C123057
PADEL_KR3701	CCC(=CCCC)C=O	C645625
PADEL_KR3701	O=CCCCC=O	C111308
PADEL_KR3701	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3701	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3701	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3701	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3701	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3701	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3701	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3701	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3701	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3701	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3701	O=C1NCCC1	C616455
PADEL_KR3701	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3701	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3701	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3701	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3701	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3701	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3701	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3701	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3701	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3701	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3701	O=C1CCCC1	C120923
PADEL_KR3701	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3701	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3701	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3701	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3701	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3701	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3701	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3701	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3701	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3701	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3701	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3701	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3701	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3701	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3701	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3701	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3701	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3701	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3701	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3701	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3701	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3701	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3701	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3701	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3701	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3701	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3701	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3701	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3701	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3701	O=C1CCC(O1)CC	C695067
PADEL_KR3701	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3701	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3701	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3701	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3701	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3701	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3701	O=C(CCC)OCCCCC	C540181
PADEL_KR3701	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3701	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3701	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3701	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3701	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3701	O=C(CC)CCCCC	C106683
PADEL_KR3701	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3701	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3701	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3701	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3701	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3701	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3701	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3701	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3701	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3701	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3701	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3701	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3701	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3701	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3701	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3701	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3701	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3701	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3701	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3701	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3701	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3701	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3701	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3701	O=C1OC(CCC)CC1	C105215
PADEL_KR3701	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3701	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3701	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3701	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3701	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3701	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3701	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3701	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3701	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3701	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3701	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3701	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3701	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3701	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3701	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3701	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3701	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3701	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3701	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3701	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3701	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3701	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3701	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3701	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3701	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3701	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3701	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3701	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3701	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3701	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3701	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3701	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3701	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3701	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3701	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3701	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3701	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3701	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3701	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3701	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3701	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3701	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3701	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3701	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3701	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3701	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3701	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3701	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3701	O=C1CCCO1	C96480
PADEL_KR3701	O=C1CCCCCN1	C105602
PADEL_KR3701	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3701	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3701	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3701	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3701	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3701	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3701	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3701	O=C1N(CCC1)C	C872504
PADEL_KR3701	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3701	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3701	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3701	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3701	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3701	O=C1N(C=C)CCC1	C88120
PADEL_KR3701	OC(=O)CCC	C107926
PADEL_KR3701	CCCCCCCCCC(=O)O	C334485
PADEL_KR3701	O=C(O)CCCCCC	C111148
PADEL_KR3701	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3701	CCCCCC(=O)O	C142621
PADEL_KR3701	CCCCCCCCC(=O)O	C112050
PADEL_KR3701	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3701	CCCCCCCC=O	C124130
PADEL_KR3701	CCCCCCCC(=O)O	C124072
PADEL_KR3701	CCCCC=O	C110623
PADEL_KR3701	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3701	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3701	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3701	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3701	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3701	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3701	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3701	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3701	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3701	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3701	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3701	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3701	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3701	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3701	O=C(O)C(CCCC)CC	C149575
PADEL_KR3701	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3701	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3701	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3701	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3701	O=C(OC)CCCCCCC	C111115
PADEL_KR3701	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3701	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3701	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3701	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3701	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3701	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3701	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3701	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3701	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3701	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3701	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3701	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3701	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3701	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3701	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3701	O=C(CCC)OCC	C105544
PADEL_KR3701	O=C(OCC)CCCCCC	C106309
PADEL_KR3701	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3701	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3701	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3701	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3701	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3701	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3701	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3701	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3701	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3701	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3701	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3701	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3701	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3701	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3701	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3701	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3701	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3701	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3701	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3701	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3701	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3701	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3701	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3701	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3701	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3701	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3701	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3701	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3701	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3701	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3701	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3701	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3701	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3701	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3701	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3701	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3701	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3701	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3701	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3701	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3701	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3701	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3701	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3701	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3701	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3701	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3701	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3701	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3701	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3701	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3701	CC(=O)CCC(C)C	C110123
PADEL_KR3701	CC(=O)CC(C)C	C108101
PADEL_KR3701	CCCCCC=O	C66251
PADEL_KR3701	CCCC=O	C123728
PADEL_KR3701	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3701	CC1CC(=O)O1	C3068880
PADEL_KR3701	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3701	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3701	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3701	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3701	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3701	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3701	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3701	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3701	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3701	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3701	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3701	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3701	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3701	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3701	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3701	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3701	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3701	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3701	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3701	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3701	O=CCCCCCCCCC=C	C112458
PADEL_KR3701	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3701	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3701	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3701	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3701	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3701	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3701	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3701	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3701	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3701	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3701	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3701	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3701	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3701	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3701	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3701	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3701	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3701	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3701	CCC(=O)C(=O)CC	C4437518
PADEL_KR3702	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3702	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3702	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3703	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3703	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3703	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3703	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3703	Oc1ccc(CCC)cc1	C645567
PADEL_KR3703	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3703	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3703	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3703	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3703	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3703	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3703	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3703	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3703	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3703	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3703	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3703	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3703	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3703	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3703	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3703	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3703	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3703	COc1ccc(CCC)cc1	C104450
PADEL_KR3703	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3703	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3703	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3703	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3703	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3703	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3703	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3703	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3703	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3703	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3703	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3703	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3703	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3703	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3703	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3703	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3703	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3703	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3703	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3703	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3703	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3703	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3703	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3703	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3703	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3703	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3703	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3703	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3703	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3703	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3703	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3703	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3703	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3703	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3704	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3704	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3704	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR3704	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3704	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3704	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3704	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3704	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3704	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3704	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3704	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3704	Oc1ccc(CCC)cc1	C645567
PADEL_KR3704	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3704	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3704	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3704	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3704	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3704	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3704	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3704	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3704	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR3704	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3704	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3704	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3704	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3704	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3704	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3704	c12ccccc1CCCC2	C119642
PADEL_KR3704	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR3704	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3704	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3704	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3704	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3704	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3704	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3704	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3704	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3704	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3704	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3704	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3704	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3704	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3704	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3704	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3704	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3704	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3704	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3704	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3704	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3704	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3704	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3704	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3704	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3704	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3704	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR3704	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3704	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3704	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3704	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR3704	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3704	COc1ccc(CCC)cc1	C104450
PADEL_KR3704	c1(CCCc2ccccc2)ccccn1	C2110181
PADEL_KR3704	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3704	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3704	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3704	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3704	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3704	Nc1ccc(CCC)cc1	C2696846
PADEL_KR3704	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3704	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3704	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3704	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3704	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3704	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR3704	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3704	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3704	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR3704	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3704	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3704	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3704	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3704	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3704	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3704	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3704	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3704	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3704	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3704	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3704	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3704	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3704	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3704	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR3704	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3704	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3704	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3704	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3704	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3704	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3704	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3704	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3704	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR3704	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3704	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR3704	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR3704	c1(CCCC)ccccc1	C104518
PADEL_KR3704	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3704	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3704	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3704	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3704	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3704	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3704	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3704	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR3704	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3704	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3704	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3704	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3704	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3704	CCCc1ccccc1	C103651
PADEL_KR3704	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3704	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3704	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3704	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3704	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3704	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3704	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3704	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3704	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3704	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3704	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3704	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3704	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3704	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3704	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3704	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3704	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3704	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3704	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3704	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3704	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3704	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3704	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3704	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3704	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3704	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3704	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3704	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3704	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3704	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3704	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3704	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3704	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3704	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3704	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3704	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3704	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3704	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3704	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3704	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3704	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3704	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3704	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3704	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3704	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3704	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3704	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3704	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3704	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3704	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3704	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3704	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3704	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR3704	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3704	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3704	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3704	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3704	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3704	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3704	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3704	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3704	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3704	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3704	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3704	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3704	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3704	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3704	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3704	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3704	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3704	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3704	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3704	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3704	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3704	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3704	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3704	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR3704	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3704	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR3704	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3704	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3704	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3704	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3704	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3704	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3704	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3704	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3706	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3706	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3706	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3706	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3706	O=C1CCCCC1	C108941
PADEL_KR3706	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3706	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3706	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3706	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3706	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3706	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3706	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3706	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3706	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3706	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3706	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3706	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3706	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3706	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3706	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3706	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3706	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3706	CCCCCCCCCC=O	C112312
PADEL_KR3706	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3706	O=CCCCCCC	C111717
PADEL_KR3706	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3706	CCCCCCCCC=O	C124196
PADEL_KR3706	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3706	OC(=O)CCCC	C109524
PADEL_KR3706	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3706	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3706	ON=C1CCCCC1	C100641
PADEL_KR3706	CC(O)CC(C)(C)O	C107415
PADEL_KR3706	CCCC(=O)C	C107879
PADEL_KR3706	C1CCCCC1O	C108930
PADEL_KR3706	CCCCCC(=O)C	C110430
PADEL_KR3706	CCCCCCO	C111273
PADEL_KR3706	CCCCCCCO	C111706
PADEL_KR3706	CCCCCCCCCC(=O)C	C112129
PADEL_KR3706	CCCCCC(=O)OCC	C123660
PADEL_KR3706	CCCCCCCCCCCCN	C124221
PADEL_KR3706	CCCCCCCCCO	C143088
PADEL_KR3706	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3706	CCCCCCCCCCN	C2016571
PADEL_KR3706	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3706	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3706	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3706	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3706	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3706	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3706	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3706	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3706	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3706	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3706	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3706	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3706	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3706	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3706	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3706	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3706	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3706	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3706	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3706	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3706	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3706	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3706	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3706	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3706	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3706	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3706	C(CCN)CCCN	C124094
PADEL_KR3706	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR3706	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3706	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3706	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3706	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3706	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3706	C(CCCCCC)CCCCCS	C112550
PADEL_KR3706	C(CC)(C=O)CCCC	C123057
PADEL_KR3706	OCC(C(O)CCC)CC	C94962
PADEL_KR3706	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3706	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3706	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3706	O=CCCCC=O	C111308
PADEL_KR3706	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3706	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3706	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3706	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3706	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3706	N#CC(CCC#N)C	C4553622
PADEL_KR3706	C(CCCCCCC)C	C111842
PADEL_KR3706	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3706	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3706	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3706	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3706	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3706	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3706	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3706	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3706	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3706	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3706	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3706	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3706	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3706	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3706	N1CCCCCC1	C111499
PADEL_KR3706	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3706	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3706	OC(CCCCCC)C	C123966
PADEL_KR3706	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3706	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3706	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3706	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3706	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3706	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3706	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3706	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3706	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3706	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3706	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3706	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3706	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3706	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3706	SC(C)(C)CCCCCC	C25360105
PADEL_KR3706	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3706	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3706	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3706	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3706	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3706	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3706	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3706	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3706	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3706	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3706	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3706	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3706	OCC1OCCC1	C97994
PADEL_KR3706	O=C1CCCC1	C120923
PADEL_KR3706	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3706	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3706	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3706	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3706	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3706	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3706	OCC(CCC)CCCCC	C10042598
PADEL_KR3706	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3706	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3706	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3706	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3706	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3706	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3706	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3706	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3706	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3706	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3706	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3706	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3706	OCCSCCCCCCCC	C3547339
PADEL_KR3706	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3706	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3706	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3706	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3706	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3706	OC1CCCC1	C96413
PADEL_KR3706	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3706	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3706	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3706	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3706	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3706	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3706	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3706	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3706	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3706	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3706	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3706	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3706	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3706	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3706	OC(CCCCC)C=C	C3391864
PADEL_KR3706	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3706	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3706	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3706	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3706	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3706	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3706	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3706	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR3706	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3706	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3706	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3706	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3706	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3706	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3706	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3706	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3706	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3706	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3706	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3706	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3706	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3706	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3706	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3706	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3706	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3706	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3706	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3706	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3706	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3706	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3706	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3706	CC(C)C1=CCC(=CC1)C	C99854
PADEL_KR3706	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3706	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3706	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3706	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3706	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3706	O=C1CCC(O1)CC	C695067
PADEL_KR3706	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3706	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3706	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3706	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3706	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3706	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3706	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3706	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3706	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3706	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3706	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3706	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3706	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3706	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3706	O=C(CCC)OCCCCC	C540181
PADEL_KR3706	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3706	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3706	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3706	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3706	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3706	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3706	OCCOCC(CC)CCCC	C1559359
PADEL_KR3706	O=C(CC)CCCCC	C106683
PADEL_KR3706	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3706	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3706	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3706	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3706	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3706	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3706	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3706	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3706	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3706	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3706	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3706	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3706	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3706	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3706	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3706	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3706	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3706	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3706	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR3706	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3706	O=C(C)OCCCCCCCC	C112141
PADEL_KR3706	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3706	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3706	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3706	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3706	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3706	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3706	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3706	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3706	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3706	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3706	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3706	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3706	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3706	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3706	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3706	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3706	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3706	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3706	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3706	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3706	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3706	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3706	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3706	O=C1OC(CCC)CC1	C105215
PADEL_KR3706	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3706	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3706	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3706	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3706	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3706	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3706	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3706	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3706	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3706	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3706	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3706	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3706	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3706	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3706	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3706	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3706	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3706	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3706	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3706	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3706	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3706	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3706	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3706	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3706	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3706	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3706	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3706	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3706	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3706	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3706	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3706	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3706	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3706	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3706	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3706	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3706	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3706	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3706	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3706	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3706	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3706	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3706	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3706	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3706	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3706	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3706	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3706	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3706	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3706	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3706	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3706	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3706	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3706	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3706	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3706	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3706	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3706	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3706	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3706	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3706	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3706	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3706	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3706	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3706	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3706	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3706	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3706	O=C1CCCCCN1	C105602
PADEL_KR3706	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3706	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3706	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3706	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3706	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3706	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3706	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3706	CCC(CCCC)CO	C104767
PADEL_KR3706	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3706	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3706	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3706	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3706	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3706	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3706	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3706	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3706	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3706	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3706	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3706	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3706	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3706	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3706	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3706	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3706	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3706	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3706	CCCCCCCCCC(=O)O	C334485
PADEL_KR3706	O=C(O)CCCCCC	C111148
PADEL_KR3706	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3706	CCCCCC(=O)O	C142621
PADEL_KR3706	CCCCCCCCC(=O)O	C112050
PADEL_KR3706	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3706	CCCCCCCC=O	C124130
PADEL_KR3706	CCCCCCCC(=O)O	C124072
PADEL_KR3706	CCCCC=O	C110623
PADEL_KR3706	CCCCCCCCCCC	C1120214
PADEL_KR3706	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3706	N#CCCCCC#N	C111693
PADEL_KR3706	CCCCCCCCO	C111875
PADEL_KR3706	CCCCCCCCCCO	C112301
PADEL_KR3706	CCCCCCCCCCCCCO	C112709
PADEL_KR3706	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3706	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3706	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3706	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3706	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3706	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3706	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3706	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3706	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3706	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3706	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3706	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3706	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3706	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3706	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3706	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3706	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3706	NC1CCCCC1	C108918
PADEL_KR3706	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3706	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3706	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3706	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR3706	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3706	C(CCCCCCCC)C	C124185
PADEL_KR3706	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3706	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3706	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3706	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3706	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3706	O=C(O)C(CCCC)CC	C149575
PADEL_KR3706	C(=C)(C=C)CCC=C(C)C	C123353
PADEL_KR3706	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3706	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3706	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3706	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3706	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3706	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3706	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3706	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3706	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3706	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3706	OC(CC(C)C)C	C108112
PADEL_KR3706	O=C(OC)CCCCCCC	C111115
PADEL_KR3706	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3706	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3706	OCCOCCCCCC	C112254
PADEL_KR3706	OCCCCCCCCCCC	C112425
PADEL_KR3706	OCCCCCCCCCCCC	C112538
PADEL_KR3706	OCCCCCCCCCCCCCC	C112721
PADEL_KR3706	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3706	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3706	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3706	O=C(C)OCCCCC	C628637
PADEL_KR3706	CCCCCCCCCCCCCCC	C629629
PADEL_KR3706	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3706	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3706	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3706	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3706	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3706	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3706	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3706	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3706	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3706	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3706	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3706	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3706	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3706	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3706	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3706	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3706	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3706	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3706	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3706	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3706	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3706	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3706	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3706	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3706	CCCCCCCCN(C)C	C7378996
PADEL_KR3706	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3706	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3706	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3706	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3706	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3706	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3706	O=C(OCC)CCCCCC	C106309
PADEL_KR3706	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3706	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3706	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3706	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3706	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3706	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3706	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3706	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3706	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3706	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3706	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3706	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3706	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3706	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3706	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3706	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3706	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3706	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3706	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3706	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3706	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3706	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3706	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3706	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3706	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3706	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3706	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3706	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3706	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3706	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3706	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3706	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3706	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3706	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3706	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3706	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3706	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3706	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3706	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3706	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3706	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3706	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3706	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3706	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3706	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3706	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3706	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3706	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3706	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3706	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3706	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3706	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3706	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3706	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3706	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3706	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3706	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3706	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3706	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3706	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3706	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3706	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3706	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3706	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3706	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3706	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3706	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3706	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3706	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3706	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3706	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3706	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3706	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3706	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3706	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3706	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3706	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3706	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3706	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3706	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3706	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3706	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3706	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3706	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3706	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3706	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3706	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3706	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3706	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3706	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3706	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3706	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3706	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3706	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3706	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3706	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3706	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3706	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3706	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3706	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3706	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3706	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3706	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3706	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3706	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3706	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3706	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3706	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3706	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3706	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3706	CC(=O)CCC(C)C	C110123
PADEL_KR3706	CC(=O)CC(C)C	C108101
PADEL_KR3706	CCCCCC=O	C66251
PADEL_KR3706	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3706	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3706	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3706	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3706	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3706	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3706	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3706	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3706	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3706	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3706	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3706	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3706	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3706	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3706	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3706	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3706	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3706	O=CC=CC=CCCCCC	C25152845
PADEL_KR3706	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3706	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3706	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3706	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3706	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3706	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3706	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3706	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3706	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3706	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3706	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3706	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3706	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3706	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3706	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3706	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3706	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3706	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3706	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3706	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3706	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3706	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3706	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3706	O=CCCCCCCCCC=C	C112458
PADEL_KR3706	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3706	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3706	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3706	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3706	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3706	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3706	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3706	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3706	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3706	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3706	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3706	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3706	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3706	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3706	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3706	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3706	O=CN1CCCCC1	C2591868
PADEL_KR3706	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3706	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3706	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3706	BrCCCCCCCCCCCC	C143157
PADEL_KR3706	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3706	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3706	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3706	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3706	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3706	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3706	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3706	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3706	NCCCOCCCCCCCC	C15930662
PADEL_KR3706	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3706	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3706	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3706	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3706	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3706	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3706	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3706	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3706	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3706	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3706	SC1CCCC1	C1679078
PADEL_KR3706	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3706	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3706	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3706	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3706	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3706	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3706	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3706	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3706	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3706	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3706	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3706	CCCCCc1ccco1	C3777693
PADEL_KR3706	CCC(=O)C(=O)CC	C4437518
PADEL_KR3706	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3707	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3707	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3707	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3707	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3707	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3707	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3707	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3707	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3707	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3707	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3707	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3707	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3707	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3707	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3707	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3707	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3707	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3707	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3707	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3707	O=C1CCCCCN1	C105602
PADEL_KR3707	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3707	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3707	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3707	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3707	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3707	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3707	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3707	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3707	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3707	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3707	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3707	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3707	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3707	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3707	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3707	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3707	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3708	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3708	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3708	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3708	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3708	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3708	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3708	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3708	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3708	OC(=O)CCCC	C109524
PADEL_KR3708	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3708	CCCCCC(=O)OCC	C123660
PADEL_KR3708	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3708	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3708	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3708	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3708	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3708	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3708	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3708	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3708	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3708	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3708	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3708	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3708	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3708	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3708	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3708	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3708	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3708	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3708	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3708	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3708	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3708	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3708	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3708	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3708	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3708	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3708	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3708	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3708	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3708	O=C1CCC(O1)CC	C695067
PADEL_KR3708	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3708	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3708	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3708	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3708	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3708	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3708	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3708	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3708	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3708	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3708	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3708	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3708	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3708	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3708	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3708	O=C1OC(CCC)CC1	C105215
PADEL_KR3708	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3708	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3708	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3708	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3708	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3708	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3708	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3708	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3708	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3708	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3708	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3708	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3708	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3708	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3708	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3708	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3708	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3708	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3708	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3708	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3708	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3708	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3708	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3708	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3708	CCCCCCCCCC(=O)O	C334485
PADEL_KR3708	O=C(O)CCCCCC	C111148
PADEL_KR3708	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3708	CCCCCC(=O)O	C142621
PADEL_KR3708	CCCCCCCCC(=O)O	C112050
PADEL_KR3708	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3708	CCCCCCCC(=O)O	C124072
PADEL_KR3708	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3708	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3708	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3708	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3708	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3708	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3708	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3708	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3708	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3708	O=C(O)C(CCCC)CC	C149575
PADEL_KR3708	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3708	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3708	O=C(OC)CCCCCCC	C111115
PADEL_KR3708	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3708	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3708	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3708	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3708	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3708	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3708	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3708	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3708	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3708	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3708	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3708	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3708	O=C(OCC)CCCCCC	C106309
PADEL_KR3708	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3708	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3708	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3708	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3708	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3708	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3708	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3708	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3708	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3708	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3708	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3708	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3708	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3708	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3708	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3708	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3708	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3708	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3708	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3708	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3708	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3708	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3708	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3708	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3708	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3708	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3708	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3708	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3708	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3708	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3708	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3708	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3708	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3708	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3708	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3708	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3709	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3709	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3709	O=C1CCCCC1	C108941
PADEL_KR3709	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3709	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3709	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3709	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3709	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3709	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3709	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3709	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3709	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3709	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3709	CCCCCCCCCC=O	C112312
PADEL_KR3709	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3709	O=CCCCCCC	C111717
PADEL_KR3709	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3709	CCCCCCCCC=O	C124196
PADEL_KR3709	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3709	OC(=O)CCCC	C109524
PADEL_KR3709	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3709	CCCCCC(=O)C	C110430
PADEL_KR3709	CCCCCCCCCC(=O)C	C112129
PADEL_KR3709	CCCCCC(=O)OCC	C123660
PADEL_KR3709	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3709	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3709	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3709	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3709	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3709	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3709	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3709	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3709	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3709	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3709	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3709	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3709	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3709	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3709	C(CC)(C=O)CCCC	C123057
PADEL_KR3709	O=CCCCC=O	C111308
PADEL_KR3709	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3709	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3709	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3709	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3709	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3709	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3709	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3709	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3709	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3709	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3709	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3709	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3709	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3709	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3709	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3709	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3709	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3709	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3709	O=C1CCCC1	C120923
PADEL_KR3709	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3709	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3709	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3709	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3709	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3709	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3709	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3709	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3709	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3709	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3709	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3709	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3709	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3709	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3709	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3709	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3709	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3709	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3709	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3709	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3709	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3709	O=C1CCC(O1)CC	C695067
PADEL_KR3709	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3709	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3709	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3709	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3709	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3709	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3709	O=C(CC)CCCCC	C106683
PADEL_KR3709	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3709	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3709	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3709	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3709	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3709	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3709	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3709	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3709	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3709	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3709	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3709	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3709	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3709	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3709	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3709	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3709	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3709	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3709	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3709	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3709	O=C1OC(CCC)CC1	C105215
PADEL_KR3709	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3709	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3709	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3709	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3709	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3709	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3709	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3709	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3709	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3709	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3709	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3709	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3709	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3709	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3709	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3709	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3709	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3709	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3709	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3709	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3709	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3709	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3709	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3709	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3709	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3709	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3709	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3709	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3709	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3709	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3709	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3709	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3709	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3709	O=C1CCCCCN1	C105602
PADEL_KR3709	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3709	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3709	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3709	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3709	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3709	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3709	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3709	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3709	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3709	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3709	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3709	CCCCCCCCCC(=O)O	C334485
PADEL_KR3709	O=C(O)CCCCCC	C111148
PADEL_KR3709	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3709	CCCCCC(=O)O	C142621
PADEL_KR3709	CCCCCCCCC(=O)O	C112050
PADEL_KR3709	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3709	CCCCCCCC=O	C124130
PADEL_KR3709	CCCCCCCC(=O)O	C124072
PADEL_KR3709	CCCCC=O	C110623
PADEL_KR3709	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3709	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3709	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3709	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3709	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3709	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3709	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3709	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3709	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3709	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3709	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3709	O=C(O)C(CCCC)CC	C149575
PADEL_KR3709	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3709	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3709	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3709	O=C(OC)CCCCCCC	C111115
PADEL_KR3709	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3709	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3709	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3709	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3709	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3709	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3709	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3709	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3709	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3709	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3709	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3709	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3709	O=C(OCC)CCCCCC	C106309
PADEL_KR3709	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3709	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3709	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3709	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3709	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3709	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3709	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3709	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3709	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3709	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3709	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3709	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3709	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3709	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3709	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3709	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3709	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3709	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3709	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3709	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3709	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3709	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3709	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3709	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3709	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3709	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3709	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3709	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3709	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3709	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3709	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3709	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3709	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3709	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3709	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3709	CC(=O)CCC(C)C	C110123
PADEL_KR3709	CCCCCC=O	C66251
PADEL_KR3709	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3709	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3709	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3709	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3709	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3709	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3709	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3709	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3709	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3709	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3709	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3709	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3709	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3709	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3709	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3709	O=CCCCCCCCCC=C	C112458
PADEL_KR3709	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3709	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3709	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3709	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3709	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3709	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3709	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3709	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3709	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3709	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3709	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3709	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3709	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3710	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3710	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3710	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3710	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3710	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3710	Nc1ccc(CCCC)cc1	C104132
PADEL_KR3710	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR3710	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3710	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3710	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3710	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3710	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3710	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3710	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR3710	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3710	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3710	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3710	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3710	c12ccccc1CCCC2	C119642
PADEL_KR3710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3710	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3710	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3710	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3710	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3710	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3710	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3710	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3710	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3710	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR3710	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3710	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3710	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3710	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3710	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3710	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR3710	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3710	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3710	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3710	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR3710	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR3710	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR3710	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3710	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3710	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3710	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3710	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3710	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3710	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3710	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR3710	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3710	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3710	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3710	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3710	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3710	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3710	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3710	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3710	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3710	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3710	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3710	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3710	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3710	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3710	c1(CCCC)ccccc1	C104518
PADEL_KR3710	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3710	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3710	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3710	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR3710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3710	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR3710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3710	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3710	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3710	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3710	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3710	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3710	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3710	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3710	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3710	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3710	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3710	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3710	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3710	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3710	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3710	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3710	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3710	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3710	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3710	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3710	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3710	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3710	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3710	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3710	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3710	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3710	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3710	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3710	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3710	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3710	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3710	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3710	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR3710	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR3710	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR3710	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3710	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR3710	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3710	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3710	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3710	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3710	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3710	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR3710	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3710	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3710	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3710	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3710	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3710	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR3712	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3712	O=C1CCCCC1	C108941
PADEL_KR3712	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3712	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3712	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3712	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3712	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3712	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3712	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3712	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3712	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3712	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3712	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3712	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3712	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3712	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3712	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3712	CCCCCCCCCC=O	C112312
PADEL_KR3712	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3712	O=CCCCCCC	C111717
PADEL_KR3712	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3712	CCCCCCCCC=O	C124196
PADEL_KR3712	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3712	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3712	ON=C1CCCCC1	C100641
PADEL_KR3712	C1CCCCC1O	C108930
PADEL_KR3712	CCCCCC(=O)C	C110430
PADEL_KR3712	CCCCCCO	C111273
PADEL_KR3712	CCCCCCCO	C111706
PADEL_KR3712	CCCCCCCCCC(=O)C	C112129
PADEL_KR3712	CCCCCC(=O)OCC	C123660
PADEL_KR3712	CCCCCCCCCCCCN	C124221
PADEL_KR3712	CCCCCCCCCO	C143088
PADEL_KR3712	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3712	CCCCCCCCCCN	C2016571
PADEL_KR3712	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3712	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3712	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3712	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3712	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3712	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3712	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3712	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR3712	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3712	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3712	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3712	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3712	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3712	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3712	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3712	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3712	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3712	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3712	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3712	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3712	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3712	C(CCN)CCCN	C124094
PADEL_KR3712	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3712	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3712	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3712	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3712	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3712	C(CCCCCC)CCCCCS	C112550
PADEL_KR3712	C(CC)(C=O)CCCC	C123057
PADEL_KR3712	OCC(C(O)CCC)CC	C94962
PADEL_KR3712	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3712	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3712	CC=C1CC2C=CC1C2	C16219753
PADEL_KR3712	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3712	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3712	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3712	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3712	C(CCCCCCC)C	C111842
PADEL_KR3712	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3712	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3712	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3712	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3712	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3712	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3712	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3712	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3712	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3712	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3712	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3712	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3712	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3712	N1CCCCCC1	C111499
PADEL_KR3712	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3712	OC(CCCCCC)C	C123966
PADEL_KR3712	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3712	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3712	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3712	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3712	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3712	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3712	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3712	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3712	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3712	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3712	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3712	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3712	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3712	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3712	SC(C)(C)CCCCCC	C25360105
PADEL_KR3712	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3712	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3712	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3712	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3712	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3712	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3712	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3712	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3712	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3712	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3712	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3712	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3712	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3712	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3712	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3712	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3712	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3712	OCC(CCC)CCCCC	C10042598
PADEL_KR3712	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3712	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3712	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3712	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3712	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3712	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3712	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3712	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3712	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3712	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3712	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3712	OCCSCCCCCCCC	C3547339
PADEL_KR3712	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3712	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3712	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3712	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3712	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3712	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3712	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3712	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3712	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3712	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3712	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3712	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3712	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3712	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3712	OC(CCCCC)C=C	C3391864
PADEL_KR3712	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3712	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3712	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3712	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3712	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3712	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3712	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3712	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3712	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3712	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3712	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3712	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3712	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3712	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3712	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3712	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3712	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3712	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3712	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3712	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3712	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR3712	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3712	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3712	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3712	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3712	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3712	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3712	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3712	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3712	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3712	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3712	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3712	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3712	O=C1CCC(O1)CC	C695067
PADEL_KR3712	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3712	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3712	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3712	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3712	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3712	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3712	CCC(c1ccccc1)CCC	C4468422
PADEL_KR3712	O=CCC/C=C\CCCCC	C21662099
PADEL_KR3712	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3712	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR3712	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3712	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3712	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3712	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3712	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3712	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3712	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3712	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3712	OCCOCC(CC)CCCC	C1559359
PADEL_KR3712	O=C(CC)CCCCC	C106683
PADEL_KR3712	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3712	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3712	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3712	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3712	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3712	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3712	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3712	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3712	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3712	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3712	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3712	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3712	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3712	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3712	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3712	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3712	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3712	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3712	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3712	O=C(C)OCCCCCCCC	C112141
PADEL_KR3712	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3712	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3712	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3712	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3712	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3712	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3712	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3712	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3712	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3712	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3712	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3712	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3712	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3712	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3712	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3712	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3712	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3712	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3712	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3712	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3712	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3712	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3712	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3712	O=C1OC(CCC)CC1	C105215
PADEL_KR3712	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3712	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3712	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3712	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3712	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3712	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3712	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3712	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3712	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3712	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3712	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3712	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3712	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3712	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3712	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3712	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3712	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3712	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3712	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3712	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3712	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3712	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3712	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3712	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3712	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3712	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3712	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3712	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3712	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3712	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3712	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3712	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3712	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3712	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3712	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3712	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3712	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3712	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3712	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3712	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3712	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3712	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3712	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3712	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3712	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3712	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3712	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3712	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3712	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3712	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3712	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3712	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3712	O=C1CCCCCN1	C105602
PADEL_KR3712	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3712	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3712	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3712	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3712	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3712	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3712	CCC(CCCC)CO	C104767
PADEL_KR3712	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3712	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3712	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3712	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR3712	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3712	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3712	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3712	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3712	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3712	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3712	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3712	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3712	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3712	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3712	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3712	CCCCCCCCCC(=O)O	C334485
PADEL_KR3712	O=C(O)CCCCCC	C111148
PADEL_KR3712	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3712	CCCCCC(=O)O	C142621
PADEL_KR3712	CCCCCCCCC(=O)O	C112050
PADEL_KR3712	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3712	CCCCCCCC=O	C124130
PADEL_KR3712	CCCCCCCC(=O)O	C124072
PADEL_KR3712	CCCCCCCCCCC	C1120214
PADEL_KR3712	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3712	N#CCCCCC#N	C111693
PADEL_KR3712	CCCCCCCCO	C111875
PADEL_KR3712	CCCCCCCCCCO	C112301
PADEL_KR3712	CCCCCCCCCCCCCO	C112709
PADEL_KR3712	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3712	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3712	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3712	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3712	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3712	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3712	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3712	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3712	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3712	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3712	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3712	NC1CCCCC1	C108918
PADEL_KR3712	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3712	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3712	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3712	C(CCCCCCCC)C	C124185
PADEL_KR3712	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3712	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3712	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3712	O=C(O)C(CCCC)CC	C149575
PADEL_KR3712	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3712	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3712	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3712	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3712	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3712	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3712	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3712	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3712	O=C(OC)CCCCCCC	C111115
PADEL_KR3712	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3712	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3712	OCCOCCCCCC	C112254
PADEL_KR3712	OCCCCCCCCCCC	C112425
PADEL_KR3712	OCCCCCCCCCCCC	C112538
PADEL_KR3712	OCCCCCCCCCCCCCC	C112721
PADEL_KR3712	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3712	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3712	CCCCCCCCCCCCCCC	C629629
PADEL_KR3712	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3712	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3712	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3712	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3712	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3712	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3712	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3712	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3712	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3712	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3712	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3712	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3712	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3712	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3712	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3712	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3712	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3712	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3712	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3712	CCCCCCCCN(C)C	C7378996
PADEL_KR3712	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3712	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3712	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3712	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3712	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3712	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3712	O=C(OCC)CCCCCC	C106309
PADEL_KR3712	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3712	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3712	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3712	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3712	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3712	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3712	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3712	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3712	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3712	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3712	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3712	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3712	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3712	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3712	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3712	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3712	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3712	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3712	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3712	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3712	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3712	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3712	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3712	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3712	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3712	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3712	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3712	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3712	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3712	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3712	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3712	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3712	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3712	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3712	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3712	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3712	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3712	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3712	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3712	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3712	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3712	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3712	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3712	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3712	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3712	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3712	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3712	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3712	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3712	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3712	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3712	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3712	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3712	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3712	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3712	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3712	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3712	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3712	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3712	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3712	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3712	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3712	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3712	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3712	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3712	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3712	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3712	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3712	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3712	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3712	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3712	CC(=O)CCC(C)C	C110123
PADEL_KR3712	CCCCCC=O	C66251
PADEL_KR3712	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3712	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3712	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3712	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3712	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3712	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3712	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3712	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3712	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3712	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3712	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3712	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3712	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3712	O=CC=CC=CCCCCC	C25152845
PADEL_KR3712	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3712	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3712	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3712	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3712	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3712	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3712	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3712	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3712	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3712	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3712	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3712	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3712	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3712	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3712	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3712	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3712	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3712	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3712	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3712	O=CCCCCCCCCC=C	C112458
PADEL_KR3712	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3712	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3712	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3712	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3712	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3712	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3712	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3712	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3712	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3712	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3712	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3712	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3712	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3712	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3712	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3712	BrCCCCCCCCCCCC	C143157
PADEL_KR3712	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3712	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3712	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3712	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3712	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3712	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3712	NCCCOCCCCCCCC	C15930662
PADEL_KR3712	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3712	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3712	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3712	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3712	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3712	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3712	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3712	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3712	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3712	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3712	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3712	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3712	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3712	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3712	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3712	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3712	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3712	CCC(=O)C(=O)CC	C4437518
PADEL_KR3713	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3713	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3713	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3713	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3713	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3713	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3713	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3713	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3713	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3713	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3713	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3713	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3713	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3713	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3713	O=C1CCCCCN1	C105602
PADEL_KR3713	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3713	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3713	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3713	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3713	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3713	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3713	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3713	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3713	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3713	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3713	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3713	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3713	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3713	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3716	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3716	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3716	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3716	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3716	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3716	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3716	CCCCCC(=O)OCC	C123660
PADEL_KR3716	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3716	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3716	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3716	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3716	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3716	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3716	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3716	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3716	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3716	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3716	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3716	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3716	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3716	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3716	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3716	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3716	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3716	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3716	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3716	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3716	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3716	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3716	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3716	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3716	O=C1CCC(O1)CC	C695067
PADEL_KR3716	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3716	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3716	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3716	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3716	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3716	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3716	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3716	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3716	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3716	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3716	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3716	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3716	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3716	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3716	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3716	O=C1OC(CCC)CC1	C105215
PADEL_KR3716	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3716	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3716	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3716	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3716	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3716	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3716	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3716	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3716	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3716	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3716	CCCCCCCCCC(=O)O	C334485
PADEL_KR3716	O=C(O)CCCCCC	C111148
PADEL_KR3716	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3716	CCCCCC(=O)O	C142621
PADEL_KR3716	CCCCCCCCC(=O)O	C112050
PADEL_KR3716	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3716	CCCCCCCC(=O)O	C124072
PADEL_KR3716	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3716	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3716	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3716	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3716	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3716	O=C(O)C(CCCC)CC	C149575
PADEL_KR3716	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3716	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3716	O=C(OC)CCCCCCC	C111115
PADEL_KR3716	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3716	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3716	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3716	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3716	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3716	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3716	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3716	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3716	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3716	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3716	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3716	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3716	O=C(OCC)CCCCCC	C106309
PADEL_KR3716	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3716	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3716	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3716	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3716	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3716	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3716	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3716	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3716	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3716	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3716	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3716	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3716	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3716	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3716	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3716	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3716	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3716	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3716	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3716	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3716	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3716	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3716	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3716	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3716	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3716	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3717	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3717	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3717	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3717	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3717	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3718	O=C1CCCCC1	C108941
PADEL_KR3718	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3718	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3718	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3718	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3718	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3718	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3718	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3718	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3718	CCCCCCCCCC=O	C112312
PADEL_KR3718	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3718	O=CCCCCCC	C111717
PADEL_KR3718	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3718	CCCCCCCCC=O	C124196
PADEL_KR3718	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3718	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3718	CCCCCC(=O)C	C110430
PADEL_KR3718	CCCCCCCCCC(=O)C	C112129
PADEL_KR3718	CCCCCC(=O)OCC	C123660
PADEL_KR3718	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3718	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3718	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3718	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3718	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3718	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3718	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3718	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3718	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3718	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3718	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3718	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3718	C(CC)(C=O)CCCC	C123057
PADEL_KR3718	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3718	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3718	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3718	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3718	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3718	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3718	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3718	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3718	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3718	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3718	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3718	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3718	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3718	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3718	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3718	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3718	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3718	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3718	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3718	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3718	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3718	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3718	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3718	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3718	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3718	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3718	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3718	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3718	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3718	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3718	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3718	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3718	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3718	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3718	O=C1CCC(O1)CC	C695067
PADEL_KR3718	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3718	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3718	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3718	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3718	O=C(CC)CCCCC	C106683
PADEL_KR3718	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3718	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3718	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3718	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3718	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3718	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3718	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3718	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3718	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3718	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3718	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3718	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3718	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3718	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3718	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3718	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3718	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3718	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3718	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3718	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3718	O=C1OC(CCC)CC1	C105215
PADEL_KR3718	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3718	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3718	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3718	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3718	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3718	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3718	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3718	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3718	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3718	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3718	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3718	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3718	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3718	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3718	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3718	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3718	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3718	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3718	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3718	O=C1CCCCCN1	C105602
PADEL_KR3718	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3718	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3718	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3718	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3718	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3718	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3718	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3718	CCCCCCCCCC(=O)O	C334485
PADEL_KR3718	O=C(O)CCCCCC	C111148
PADEL_KR3718	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3718	CCCCCC(=O)O	C142621
PADEL_KR3718	CCCCCCCCC(=O)O	C112050
PADEL_KR3718	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3718	CCCCCCCC=O	C124130
PADEL_KR3718	CCCCCCCC(=O)O	C124072
PADEL_KR3718	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3718	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3718	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3718	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3718	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3718	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3718	O=C(O)C(CCCC)CC	C149575
PADEL_KR3718	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3718	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3718	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3718	O=C(OC)CCCCCCC	C111115
PADEL_KR3718	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3718	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3718	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3718	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3718	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3718	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3718	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3718	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3718	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3718	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3718	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3718	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3718	O=C(OCC)CCCCCC	C106309
PADEL_KR3718	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3718	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3718	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3718	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3718	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3718	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3718	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3718	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3718	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3718	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3718	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3718	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3718	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3718	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3718	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3718	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3718	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3718	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3718	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3718	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3718	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3718	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3718	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3718	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3718	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR3718	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3718	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3718	CCCCCC=O	C66251
PADEL_KR3718	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3718	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3718	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3718	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3718	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3718	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3718	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3718	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3718	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3718	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3718	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3718	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3718	O=CCCCCCCCCC=C	C112458
PADEL_KR3718	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3718	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR3718	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3718	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3718	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3718	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3718	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3718	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3718	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3718	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3718	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3719	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3719	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3719	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3719	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3719	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3719	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3719	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3719	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3719	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3719	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3719	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3719	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3719	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3719	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3719	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3719	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3719	CCCCCCCCCC=O	C112312
PADEL_KR3719	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3719	O=CCCCCCC	C111717
PADEL_KR3719	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3719	CCCCCCCCC=O	C124196
PADEL_KR3719	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3719	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3719	CCCCCC(=O)C	C110430
PADEL_KR3719	CCCCCCCO	C111706
PADEL_KR3719	CCCCCCCCCC(=O)C	C112129
PADEL_KR3719	CCCCCCCCCCCCN	C124221
PADEL_KR3719	CCCCCCCCCO	C143088
PADEL_KR3719	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3719	CCCCCCCCCCN	C2016571
PADEL_KR3719	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3719	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3719	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3719	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3719	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3719	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3719	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3719	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3719	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3719	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3719	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3719	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3719	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3719	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3719	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3719	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3719	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3719	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR3719	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3719	C(CCCCCC)CCCCCS	C112550
PADEL_KR3719	C(CC)(C=O)CCCC	C123057
PADEL_KR3719	OCC(C(O)CCC)CC	C94962
PADEL_KR3719	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3719	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3719	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3719	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3719	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3719	C(CCCCCCC)C	C111842
PADEL_KR3719	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3719	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3719	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3719	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3719	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3719	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3719	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3719	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3719	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3719	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3719	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3719	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3719	OC(CCCCCC)C	C123966
PADEL_KR3719	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3719	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3719	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3719	CC1=CCC(=C(C)C)CC1	C586629
PADEL_KR3719	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3719	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3719	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3719	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3719	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3719	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3719	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3719	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3719	SC(C)(C)CCCCCC	C25360105
PADEL_KR3719	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3719	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3719	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3719	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3719	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3719	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3719	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3719	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3719	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3719	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3719	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3719	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3719	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3719	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR3719	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3719	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PADEL_KR3719	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3719	OCC(CCC)CCCCC	C10042598
PADEL_KR3719	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3719	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3719	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3719	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3719	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3719	CC(=C)C1CC=C(C)CC1	C138863
PADEL_KR3719	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3719	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3719	OCCSCCCCCCCC	C3547339
PADEL_KR3719	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3719	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3719	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3719	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3719	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3719	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3719	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3719	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3719	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3719	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3719	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3719	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3719	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR3719	OC(CCCCC)C=C	C3391864
PADEL_KR3719	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3719	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3719	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3719	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3719	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3719	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3719	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3719	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3719	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3719	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3719	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3719	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3719	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3719	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3719	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3719	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR3719	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3719	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3719	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3719	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3719	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3719	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3719	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3719	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3719	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3719	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3719	CC1=CC=C(C(C)C)CC1	C99865
PADEL_KR3719	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3719	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3719	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3719	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3719	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3719	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR3719	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3719	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3719	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3719	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3719	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3719	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3719	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3719	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3719	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3719	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3719	OCCOCC(CC)CCCC	C1559359
PADEL_KR3719	O=C(CC)CCCCC	C106683
PADEL_KR3719	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3719	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3719	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3719	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3719	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3719	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3719	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3719	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3719	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3719	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3719	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3719	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3719	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3719	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3719	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3719	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3719	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3719	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3719	O=C(C)OCCCCCCCC	C112141
PADEL_KR3719	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3719	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3719	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3719	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3719	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3719	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3719	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3719	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3719	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3719	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3719	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3719	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3719	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3719	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3719	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3719	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3719	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3719	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3719	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3719	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3719	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3719	O=C1OC(CCC)CC1	C105215
PADEL_KR3719	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3719	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3719	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3719	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3719	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3719	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3719	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3719	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3719	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3719	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3719	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3719	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3719	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3719	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3719	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3719	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3719	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3719	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3719	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3719	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3719	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3719	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3719	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3719	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3719	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3719	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3719	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3719	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3719	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3719	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3719	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3719	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3719	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3719	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3719	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3719	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3719	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3719	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3719	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3719	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3719	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3719	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3719	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3719	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3719	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3719	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3719	CCC(CCCC)CO	C104767
PADEL_KR3719	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3719	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3719	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR3719	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3719	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3719	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3719	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3719	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3719	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3719	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3719	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3719	CCCCCCCCCC(=O)O	C334485
PADEL_KR3719	O=C(O)CCCCCC	C111148
PADEL_KR3719	CCCCCCCCC(=O)O	C112050
PADEL_KR3719	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3719	CCCCCCCC=O	C124130
PADEL_KR3719	CCCCCCCC(=O)O	C124072
PADEL_KR3719	CCCCCCCCCCC	C1120214
PADEL_KR3719	CCCCCCCCO	C111875
PADEL_KR3719	CCCCCCCCCCO	C112301
PADEL_KR3719	CCCCCCCCCCCCCO	C112709
PADEL_KR3719	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3719	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3719	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3719	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3719	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3719	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3719	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3719	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3719	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3719	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3719	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3719	C(CCCCCCCC)C	C124185
PADEL_KR3719	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3719	O=C(O)C(CCCC)CC	C149575
PADEL_KR3719	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3719	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3719	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3719	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3719	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3719	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3719	O=C(OC)CCCCCCC	C111115
PADEL_KR3719	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3719	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3719	OCCCCCCCCCCC	C112425
PADEL_KR3719	OCCCCCCCCCCCC	C112538
PADEL_KR3719	OCCCCCCCCCCCCCC	C112721
PADEL_KR3719	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR3719	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3719	CCCCCCCCCCCCCCC	C629629
PADEL_KR3719	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3719	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3719	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3719	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3719	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3719	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3719	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3719	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3719	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3719	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3719	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3719	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3719	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3719	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3719	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3719	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3719	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3719	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3719	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3719	CCCCCCCCN(C)C	C7378996
PADEL_KR3719	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3719	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3719	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3719	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3719	O=C(OCC)CCCCCC	C106309
PADEL_KR3719	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3719	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3719	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3719	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3719	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3719	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3719	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3719	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3719	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3719	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3719	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3719	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3719	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3719	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3719	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3719	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3719	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3719	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3719	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3719	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3719	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3719	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3719	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3719	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3719	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3719	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3719	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3719	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3719	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3719	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3719	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3719	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3719	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3719	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3719	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3719	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3719	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3719	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3719	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3719	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3719	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3719	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3719	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3719	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3719	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3719	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3719	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3719	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3719	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3719	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3719	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3719	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3719	CC1(C)C2C(=CCC1C2)C	C80568
PADEL_KR3719	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3719	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3719	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3719	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3719	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3719	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3719	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3719	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3719	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3719	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3719	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3719	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3719	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3719	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3719	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3719	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3719	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3719	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3719	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3719	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3719	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3719	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3719	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3719	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3719	O=CCCCCCCCCC=C	C112458
PADEL_KR3719	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3719	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3719	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3719	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3719	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3719	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3719	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3719	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3719	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3719	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3719	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3719	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3719	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3719	BrCCCCCCCCCCCC	C143157
PADEL_KR3719	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3719	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3719	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3719	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3719	NCCCOCCCCCCCC	C15930662
PADEL_KR3719	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3719	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3719	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3719	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3719	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3719	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3719	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3719	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3719	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3719	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3719	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3719	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3719	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3719	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3721	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3721	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3721	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3721	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3721	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3721	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3721	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3721	CCCCCCCCCC=O	C112312
PADEL_KR3721	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3721	O=CCCCCCC	C111717
PADEL_KR3721	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3721	CCCCCCCCC=O	C124196
PADEL_KR3721	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3721	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3721	CCCCCCCCCC(=O)C	C112129
PADEL_KR3721	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3721	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3721	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3721	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3721	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3721	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3721	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3721	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3721	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3721	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3721	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3721	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3721	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3721	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3721	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3721	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3721	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3721	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3721	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3721	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3721	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3721	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3721	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3721	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR3721	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3721	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3721	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3721	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3721	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3721	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3721	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3721	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3721	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3721	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3721	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3721	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3721	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3721	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3721	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3721	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3721	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3721	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3721	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3721	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3721	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3721	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3721	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3721	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3721	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3721	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3721	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3721	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3721	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3721	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3721	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3721	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3721	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3721	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3721	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3721	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3721	O=C1OC(CCC)CC1	C105215
PADEL_KR3721	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3721	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR3721	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3721	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3721	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR3721	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3721	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3721	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3721	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3721	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR3721	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3721	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3721	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3721	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3721	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3721	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3721	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3721	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3721	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3721	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3721	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3721	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3721	CCCCCCCCCC(=O)O	C334485
PADEL_KR3721	O=C(O)CCCCCC	C111148
PADEL_KR3721	CCCCCCCCC(=O)O	C112050
PADEL_KR3721	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3721	CCCCCCCC=O	C124130
PADEL_KR3721	CCCCCCCC(=O)O	C124072
PADEL_KR3721	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3721	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3721	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3721	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3721	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3721	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3721	O=C(OC)CCCCCCC	C111115
PADEL_KR3721	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3721	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3721	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3721	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3721	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3721	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3721	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3721	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3721	O=C(OCC)CCCCCC	C106309
PADEL_KR3721	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3721	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3721	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3721	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3721	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3721	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3721	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3721	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3721	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3721	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3721	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3721	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3721	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3721	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3721	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3721	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3721	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3721	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3721	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3721	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3721	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3721	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3721	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3721	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3721	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3721	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3721	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3721	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3721	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3721	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3721	O=CCCCCCCCCC=C	C112458
PADEL_KR3721	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3721	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3721	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3721	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3721	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3721	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3721	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3721	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3721	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3722	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3722	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3722	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3722	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3722	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3722	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3722	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3722	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3722	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3722	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3722	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3722	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3722	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3722	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3722	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3722	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3722	CCCCCCCCCC=O	C112312
PADEL_KR3722	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3722	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3722	CCCCCCCCC=O	C124196
PADEL_KR3722	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3722	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3722	CCCCCCCCCC(=O)C	C112129
PADEL_KR3722	CCCCCCCCCCCCN	C124221
PADEL_KR3722	CCCCCCCCCO	C143088
PADEL_KR3722	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3722	CCCCCCCCCCN	C2016571
PADEL_KR3722	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3722	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3722	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3722	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3722	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3722	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3722	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3722	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR3722	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3722	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3722	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3722	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3722	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3722	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3722	C12C3C=CC(C3)C1C=CC2	C77736
PADEL_KR3722	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3722	C(CCCCCC)CCCCCS	C112550
PADEL_KR3722	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR3722	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3722	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3722	C(CCCCCCC)C	C111842
PADEL_KR3722	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3722	CC1(C(=C)C2CCC1C2)C	C79925
PADEL_KR3722	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3722	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3722	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3722	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3722	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3722	OC(CCCCCC)C	C123966
PADEL_KR3722	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3722	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3722	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3722	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PADEL_KR3722	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3722	SC(C)(C)CCCCCC	C25360105
PADEL_KR3722	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3722	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3722	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR3722	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR3722	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3722	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3722	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3722	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR3722	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3722	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3722	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3722	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3722	OCC(CCC)CCCCC	C10042598
PADEL_KR3722	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3722	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3722	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3722	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3722	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3722	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3722	OCCSCCCCCCCC	C3547339
PADEL_KR3722	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3722	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3722	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR3722	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3722	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3722	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3722	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3722	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3722	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3722	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3722	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3722	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3722	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3722	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3722	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3722	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3722	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3722	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3722	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3722	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3722	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3722	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3722	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3722	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3722	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3722	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3722	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3722	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3722	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PADEL_KR3722	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3722	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3722	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3722	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3722	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3722	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3722	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3722	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3722	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3722	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3722	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3722	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3722	O=C(CC)CCCCC	C106683
PADEL_KR3722	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3722	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3722	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3722	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3722	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3722	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3722	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3722	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3722	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3722	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3722	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3722	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3722	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3722	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3722	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3722	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3722	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3722	O=C(C)OCCCCCCCC	C112141
PADEL_KR3722	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR3722	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3722	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3722	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3722	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3722	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3722	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3722	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR3722	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3722	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3722	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3722	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3722	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3722	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3722	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3722	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR3722	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3722	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3722	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3722	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3722	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3722	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3722	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3722	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3722	O=C1CCC(CCC)CC1	C40649363
PADEL_KR3722	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3722	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3722	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3722	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3722	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3722	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3722	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3722	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3722	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3722	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3722	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3722	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3722	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3722	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3722	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3722	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3722	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3722	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3722	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3722	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3722	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3722	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3722	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3722	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3722	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3722	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3722	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3722	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3722	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3722	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3722	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3722	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3722	CCCCCCCCCC(=O)O	C334485
PADEL_KR3722	CCCCCCCCC(=O)O	C112050
PADEL_KR3722	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3722	CCCCCCCC=O	C124130
PADEL_KR3722	CCCCCCCC(=O)O	C124072
PADEL_KR3722	CCCCCCCCCCC	C1120214
PADEL_KR3722	CCCCCCCCO	C111875
PADEL_KR3722	CCCCCCCCCCO	C112301
PADEL_KR3722	CCCCCCCCCCCCCO	C112709
PADEL_KR3722	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3722	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR3722	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3722	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3722	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3722	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3722	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3722	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3722	C(CCCCCCCC)C	C124185
PADEL_KR3722	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR3722	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR3722	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3722	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3722	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3722	O=C(OC)CCCCCCC	C111115
PADEL_KR3722	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3722	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3722	OCCCCCCCCCCC	C112425
PADEL_KR3722	OCCCCCCCCCCCC	C112538
PADEL_KR3722	OCCCCCCCCCCCCCC	C112721
PADEL_KR3722	CCCCCCCCCCCCCCCC	C544763
PADEL_KR3722	CCCCCCCCCCCCCCC	C629629
PADEL_KR3722	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3722	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3722	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3722	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR3722	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3722	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3722	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3722	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3722	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3722	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3722	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3722	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3722	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3722	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3722	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3722	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3722	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3722	CCCCCCCCN(C)C	C7378996
PADEL_KR3722	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3722	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3722	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3722	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3722	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3722	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3722	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3722	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3722	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3722	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3722	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3722	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3722	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3722	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3722	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3722	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3722	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3722	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3722	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3722	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3722	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3722	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3722	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3722	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3722	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3722	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3722	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3722	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3722	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3722	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR3722	CCCCCCCCCCCCc1ccccc1	C123013
PADEL_KR3722	C=CCCCCCCCCCCCC	C1120361
PADEL_KR3722	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3722	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3722	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3722	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3722	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3722	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3722	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3722	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3722	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3722	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3722	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3722	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3722	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3722	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3722	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3722	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3722	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3722	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3722	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3722	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3722	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3722	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3722	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3722	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PADEL_KR3722	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3722	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3722	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3722	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3722	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3722	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3722	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3722	O=CCCCCCCCCC=C	C112458
PADEL_KR3722	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3722	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3722	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3722	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3722	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3722	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3722	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3722	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3722	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PADEL_KR3722	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3722	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3722	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3722	BrCCCCCCCCCCCC	C143157
PADEL_KR3722	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3722	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3722	NCCCOCCCCCCCC	C15930662
PADEL_KR3722	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3722	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3722	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3722	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3722	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3722	O=C/C=C/CCCCCCC	C3913813
PADEL_KR3722	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3722	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3722	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3722	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3722	CC1(C)C2CC(=CCC12)C	C13466789
PADEL_KR3722	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3722	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3722	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3725	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3725	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3725	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3725	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3725	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3725	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3725	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3725	CCCCCCCCCC=O	C112312
PADEL_KR3725	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3725	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3725	CCCCCCCCC=O	C124196
PADEL_KR3725	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3725	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3725	CCCCCCCCCC(=O)C	C112129
PADEL_KR3725	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3725	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3725	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR3725	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR3725	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3725	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3725	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3725	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3725	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR3725	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR3725	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3725	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3725	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3725	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3725	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3725	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3725	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3725	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3725	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3725	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3725	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3725	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3725	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3725	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR3725	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3725	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3725	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3725	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3725	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3725	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3725	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3725	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3725	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3725	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR3725	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3725	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3725	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3725	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3725	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3725	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR3725	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3725	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3725	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3725	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3725	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3725	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3725	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3725	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3725	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3725	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3725	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3725	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3725	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR3725	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3725	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3725	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3725	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3725	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3725	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3725	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3725	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3725	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3725	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3725	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3725	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3725	CCCCCCCCCC(=O)O	C334485
PADEL_KR3725	CCCCCCCCC(=O)O	C112050
PADEL_KR3725	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3725	CCCCCCCC=O	C124130
PADEL_KR3725	CCCCCCCC(=O)O	C124072
PADEL_KR3725	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3725	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3725	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3725	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3725	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR3725	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3725	O=C(OC)CCCCCCC	C111115
PADEL_KR3725	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3725	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3725	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3725	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3725	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3725	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3725	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3725	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3725	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3725	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3725	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3725	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3725	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3725	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3725	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3725	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3725	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3725	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3725	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3725	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3725	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3725	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3725	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR3725	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3725	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3725	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3725	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3725	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3725	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3725	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3725	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3725	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3725	O=CCCCCCCCCC=C	C112458
PADEL_KR3725	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3725	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3725	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3725	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3725	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3725	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3725	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3725	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3725	CCCCCCCCCC(C)C=O	C110418
PADEL_KR3726	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3726	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3726	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3726	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3726	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3726	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3726	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3726	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3726	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3726	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3726	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3726	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3726	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3726	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3726	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3726	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3726	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3726	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3726	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3726	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3726	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3726	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3726	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3726	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3726	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3727	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3727	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3727	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3727	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3727	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3727	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3727	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3727	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3727	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3727	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3727	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3727	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3727	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3727	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3727	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3727	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3727	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3727	C1CCCCC1O	C108930
PADEL_KR3727	CCCCCCO	C111273
PADEL_KR3727	CCCCCCCO	C111706
PADEL_KR3727	CCCCCC(=O)OCC	C123660
PADEL_KR3727	CCCCCCCCCO	C143088
PADEL_KR3727	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3727	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3727	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3727	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3727	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3727	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3727	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3727	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3727	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3727	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3727	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3727	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3727	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3727	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3727	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3727	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3727	OCC(C(O)CCC)CC	C94962
PADEL_KR3727	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3727	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3727	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3727	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3727	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3727	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3727	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3727	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3727	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3727	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3727	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3727	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3727	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3727	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3727	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3727	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3727	OC(CCCCCC)C	C123966
PADEL_KR3727	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3727	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3727	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3727	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3727	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3727	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3727	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3727	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3727	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3727	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3727	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3727	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3727	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3727	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3727	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3727	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3727	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3727	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3727	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3727	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3727	OCC(CCC)CCCCC	C10042598
PADEL_KR3727	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3727	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3727	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3727	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3727	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3727	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3727	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3727	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3727	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3727	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3727	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3727	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3727	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3727	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3727	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3727	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3727	OC(CCCCC)C=C	C3391864
PADEL_KR3727	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3727	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3727	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3727	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3727	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3727	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3727	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3727	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3727	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3727	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3727	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3727	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3727	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3727	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3727	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3727	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3727	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3727	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3727	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3727	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3727	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3727	O=C1CCC(O1)CC	C695067
PADEL_KR3727	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3727	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3727	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3727	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3727	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3727	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3727	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3727	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3727	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3727	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3727	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3727	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3727	OCCOCC(CC)CCCC	C1559359
PADEL_KR3727	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3727	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3727	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3727	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3727	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3727	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3727	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3727	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3727	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3727	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3727	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3727	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3727	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3727	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3727	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3727	O=C(C)OCCCCCCCC	C112141
PADEL_KR3727	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3727	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3727	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3727	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3727	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3727	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3727	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3727	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3727	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3727	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3727	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3727	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3727	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3727	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3727	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3727	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3727	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3727	O=C1OC(CCC)CC1	C105215
PADEL_KR3727	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3727	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3727	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3727	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3727	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3727	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3727	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3727	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3727	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3727	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3727	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3727	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3727	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3727	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3727	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3727	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3727	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3727	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3727	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3727	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3727	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3727	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3727	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3727	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3727	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3727	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3727	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3727	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3727	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3727	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3727	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3727	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3727	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3727	CCC(CCCC)CO	C104767
PADEL_KR3727	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3727	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3727	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3727	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3727	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3727	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3727	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3727	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3727	CCCCCCCCCC(=O)O	C334485
PADEL_KR3727	O=C(O)CCCCCC	C111148
PADEL_KR3727	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3727	CCCCCC(=O)O	C142621
PADEL_KR3727	CCCCCCCCC(=O)O	C112050
PADEL_KR3727	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3727	CCCCCCCC(=O)O	C124072
PADEL_KR3727	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3727	CCCCCCCCO	C111875
PADEL_KR3727	CCCCCCCCCCO	C112301
PADEL_KR3727	CCCCCCCCCCCCCO	C112709
PADEL_KR3727	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3727	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3727	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3727	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3727	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3727	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3727	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3727	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3727	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3727	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3727	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3727	O=C(O)C(CCCC)CC	C149575
PADEL_KR3727	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3727	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3727	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3727	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3727	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3727	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3727	O=C(OC)CCCCCCC	C111115
PADEL_KR3727	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3727	OCCOCCCCCC	C112254
PADEL_KR3727	OCCCCCCCCCCC	C112425
PADEL_KR3727	OCCCCCCCCCCCC	C112538
PADEL_KR3727	OCCCCCCCCCCCCCC	C112721
PADEL_KR3727	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3727	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3727	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3727	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3727	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3727	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3727	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3727	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3727	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3727	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3727	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3727	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3727	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3727	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3727	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3727	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3727	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3727	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3727	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3727	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3727	O=C(OCC)CCCCCC	C106309
PADEL_KR3727	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3727	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3727	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3727	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3727	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3727	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3727	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3727	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3727	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3727	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3727	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3727	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3727	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3727	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3727	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3727	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3727	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3727	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3727	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3727	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3727	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3727	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3727	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3727	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3727	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3727	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3727	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3727	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3727	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3727	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3727	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3727	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3727	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3727	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3727	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3727	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3727	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3727	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3727	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3727	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3727	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3727	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3727	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3727	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3727	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3727	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3727	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3727	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3727	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3727	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3727	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3727	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3727	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3727	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3727	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3727	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3727	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3727	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3727	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3727	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3727	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3727	NCCCOCCCCCCCC	C15930662
PADEL_KR3727	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3727	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3727	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3727	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3727	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3727	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3727	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3727	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3728	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3728	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3728	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3728	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3728	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3728	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3728	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3728	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3728	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3728	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3728	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3728	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3728	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3728	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3728	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3728	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3728	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3728	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3728	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3728	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3728	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3728	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3728	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3728	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3728	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3728	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3728	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3728	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3728	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3728	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3728	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3728	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3728	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3728	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3728	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3728	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3728	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3728	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3728	O=C(C)OCCCCCCCC	C112141
PADEL_KR3728	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3728	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3728	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3728	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3728	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3728	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3728	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3728	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3728	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3728	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3728	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3728	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3728	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3728	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3728	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3728	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3728	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3728	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3728	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3728	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3728	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3728	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3728	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3728	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3728	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3728	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3728	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3728	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3728	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3728	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3728	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3728	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3728	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3728	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3728	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3728	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3728	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3728	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3728	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3728	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3728	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3728	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3728	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3728	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3728	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3728	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3728	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3728	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3728	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3728	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3728	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3728	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3728	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3728	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3728	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3728	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3728	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3728	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3728	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3728	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3728	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3728	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3728	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3728	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3728	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3729	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3729	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3729	CCCCCCCCCCCCN	C124221
PADEL_KR3729	CCCCCCCCCCN	C2016571
PADEL_KR3729	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3729	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3729	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3729	C(CCN)CCCN	C124094
PADEL_KR3729	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3729	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3729	N1CCCCCC1	C111499
PADEL_KR3729	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3729	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3729	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3729	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3729	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3729	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3729	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3729	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3729	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3729	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3729	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3729	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3729	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3729	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3729	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3729	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3729	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3729	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3729	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3729	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3729	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3729	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3729	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3729	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3729	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3729	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3729	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3729	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3729	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3729	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3729	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3729	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3729	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3729	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3729	O=C1CCCCCN1	C105602
PADEL_KR3729	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3729	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3729	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3729	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3729	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3729	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3729	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3729	NC1CCCCC1	C108918
PADEL_KR3729	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3729	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3729	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3729	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3729	CCCCCCCCN(C)C	C7378996
PADEL_KR3729	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3729	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3729	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3729	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3729	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3729	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3729	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3729	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3729	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3729	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3729	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3729	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3729	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3729	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3729	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3729	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3729	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3729	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3729	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3729	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3729	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3729	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3729	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3729	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3729	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3729	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3729	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3729	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3729	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3729	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3729	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3729	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3729	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3729	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3729	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3729	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3729	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3729	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3729	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3729	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3729	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3729	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3729	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3729	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3729	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3729	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3729	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3729	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3729	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3729	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3729	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3729	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3729	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3729	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3729	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3729	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3729	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3729	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3729	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3729	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3729	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3729	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3729	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3729	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3729	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3729	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3729	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3729	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3729	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3729	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3729	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3729	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3729	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3729	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3729	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3729	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3729	O=CN1CCCCC1	C2591868
PADEL_KR3729	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3729	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3729	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3729	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3729	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3729	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3729	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3729	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3729	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3729	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3729	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3729	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3729	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3729	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3730	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3730	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3730	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3730	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3730	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3730	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3730	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3730	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3730	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3730	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3730	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3730	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3730	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3730	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3730	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3730	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3730	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3730	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3730	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3730	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3730	OC(=O)CCCC	C109524
PADEL_KR3730	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3730	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3730	C1CCCCC1O	C108930
PADEL_KR3730	CCCCCCO	C111273
PADEL_KR3730	CCCCCCCO	C111706
PADEL_KR3730	CCCCCC(=O)OCC	C123660
PADEL_KR3730	CCCCCCCCCO	C143088
PADEL_KR3730	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3730	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3730	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3730	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3730	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3730	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3730	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3730	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3730	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3730	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3730	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3730	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3730	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3730	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3730	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3730	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3730	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3730	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3730	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3730	OCC(C(O)CCC)CC	C94962
PADEL_KR3730	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3730	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3730	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3730	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3730	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3730	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3730	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3730	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3730	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3730	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3730	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3730	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3730	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3730	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3730	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3730	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3730	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3730	OC(CCCCCC)C	C123966
PADEL_KR3730	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3730	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3730	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3730	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3730	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3730	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3730	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3730	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3730	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3730	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3730	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3730	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3730	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3730	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3730	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3730	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3730	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3730	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3730	OCC1OCCC1	C97994
PADEL_KR3730	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3730	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3730	OCC(CCC)CCCCC	C10042598
PADEL_KR3730	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3730	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3730	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3730	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3730	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3730	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3730	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3730	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3730	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3730	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3730	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3730	OC1CCCC1	C96413
PADEL_KR3730	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3730	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3730	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3730	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3730	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3730	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3730	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3730	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3730	OC(CCCCC)C=C	C3391864
PADEL_KR3730	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3730	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3730	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3730	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3730	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3730	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3730	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3730	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3730	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3730	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3730	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3730	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3730	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3730	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3730	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3730	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3730	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3730	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3730	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3730	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3730	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3730	O=C1CCC(O1)CC	C695067
PADEL_KR3730	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3730	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3730	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3730	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3730	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3730	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3730	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3730	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3730	O=C(CCC)OCCCCC	C540181
PADEL_KR3730	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3730	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3730	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3730	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3730	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3730	OCCOCC(CC)CCCC	C1559359
PADEL_KR3730	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3730	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3730	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3730	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3730	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3730	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3730	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3730	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3730	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3730	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3730	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3730	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3730	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3730	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3730	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3730	O=C(C)OCCCCCCCC	C112141
PADEL_KR3730	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3730	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3730	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3730	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3730	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3730	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3730	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3730	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3730	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3730	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3730	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3730	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3730	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3730	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3730	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3730	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3730	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3730	O=C1OC(CCC)CC1	C105215
PADEL_KR3730	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3730	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3730	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3730	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3730	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3730	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3730	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3730	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3730	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3730	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3730	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3730	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3730	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3730	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3730	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3730	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3730	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3730	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3730	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3730	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3730	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3730	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3730	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3730	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3730	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3730	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3730	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3730	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3730	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3730	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3730	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3730	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3730	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3730	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3730	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3730	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3730	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3730	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3730	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3730	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3730	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3730	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3730	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3730	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3730	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3730	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3730	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3730	CCC(CCCC)CO	C104767
PADEL_KR3730	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3730	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3730	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3730	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3730	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3730	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3730	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3730	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3730	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3730	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3730	CCCCCCCCCC(=O)O	C334485
PADEL_KR3730	O=C(O)CCCCCC	C111148
PADEL_KR3730	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3730	CCCCCC(=O)O	C142621
PADEL_KR3730	CCCCCCCCC(=O)O	C112050
PADEL_KR3730	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3730	CCCCCCCC(=O)O	C124072
PADEL_KR3730	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3730	CCCCCCCCO	C111875
PADEL_KR3730	CCCCCCCCCCO	C112301
PADEL_KR3730	CCCCCCCCCCCCCO	C112709
PADEL_KR3730	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3730	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3730	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3730	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3730	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3730	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3730	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3730	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3730	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3730	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3730	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3730	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3730	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3730	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3730	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3730	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3730	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3730	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3730	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3730	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3730	O=C(O)C(CCCC)CC	C149575
PADEL_KR3730	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3730	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3730	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3730	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3730	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3730	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3730	O=C(OC)CCCCCCC	C111115
PADEL_KR3730	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3730	OCCOCCCCCC	C112254
PADEL_KR3730	OCCCCCCCCCCC	C112425
PADEL_KR3730	OCCCCCCCCCCCC	C112538
PADEL_KR3730	OCCCCCCCCCCCCCC	C112721
PADEL_KR3730	O=C(C)OCCCCC	C628637
PADEL_KR3730	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3730	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3730	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3730	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3730	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3730	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3730	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3730	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3730	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3730	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3730	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3730	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3730	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3730	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3730	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3730	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3730	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3730	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3730	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3730	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3730	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3730	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3730	O=C(OCC)CCCCCC	C106309
PADEL_KR3730	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3730	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3730	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3730	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3730	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3730	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3730	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3730	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3730	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3730	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3730	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3730	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3730	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3730	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3730	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3730	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3730	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3730	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3730	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3730	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3730	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3730	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3730	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3730	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3730	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3730	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3730	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3730	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3730	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3730	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3730	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3730	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3730	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3730	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3730	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3730	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3730	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3730	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3730	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3730	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3730	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3730	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3730	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3730	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3730	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3730	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3730	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3730	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3730	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3730	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3730	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3730	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3730	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3730	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3730	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3730	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3730	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3730	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3730	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3730	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3730	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3730	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3730	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3730	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3730	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3730	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3730	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3730	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3730	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3730	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3730	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3730	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3730	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3730	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3730	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3730	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3730	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3730	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3730	NCCCOCCCCCCCC	C15930662
PADEL_KR3730	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3730	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3730	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3730	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3730	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3730	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3730	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3730	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3730	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3731	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3731	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3731	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3731	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3731	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3731	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3731	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3731	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3731	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3731	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3731	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3731	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3731	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3731	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3731	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3731	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3731	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3731	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3731	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3731	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3731	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3731	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3731	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3731	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3731	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3731	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3731	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3731	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3731	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3731	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3731	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3731	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3731	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3731	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3731	O=C(CCC)OCCCCC	C540181
PADEL_KR3731	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3731	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3731	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3731	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3731	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3731	O=C(C)OCCCCCCCC	C112141
PADEL_KR3731	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3731	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3731	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3731	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3731	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3731	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3731	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3731	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3731	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3731	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3731	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3731	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3731	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3731	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3731	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3731	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3731	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3731	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3731	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3731	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3731	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3731	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3731	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3731	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3731	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3731	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3731	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3731	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3731	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3731	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3731	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3731	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3731	O=C(C)OCCCCC	C628637
PADEL_KR3731	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3731	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3731	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3731	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3731	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3731	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3731	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3731	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3731	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3731	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3731	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3731	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3731	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3731	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3731	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3731	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3731	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3731	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3731	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3731	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3731	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3731	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3731	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3731	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3731	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3731	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3731	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3731	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3731	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3731	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3731	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3731	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3731	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3731	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3731	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3731	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3731	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3731	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3731	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3731	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3732	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3732	OC(CO)CCl	C96242
PADEL_KR3732	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3732	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3732	ClCC(Cl)CCl	C96184
PADEL_KR3732	C=CC(Cl)CCl	C760236
PADEL_KR3732	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3732	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3732	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3732	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3732	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3732	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3732	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3732	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3732	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3732	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3732	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3732	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3732	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3732	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3732	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3732	OC(CCl)CCl	C96231
PADEL_KR3732	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3732	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3732	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3732	O=C(CCl)CCl	C534076
PADEL_KR3732	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3732	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3732	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3732	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3733	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3733	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3733	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3733	O=NN1CCCC1	C930552
PADEL_KR3733	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3733	CCCCCCCCCCCCN	C124221
PADEL_KR3733	CCCCCCCCCCN	C2016571
PADEL_KR3733	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3733	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3733	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3733	C(CCN)CCCN	C124094
PADEL_KR3733	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3733	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3733	N1CCCCCC1	C111499
PADEL_KR3733	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3733	O=C1NCCC1	C616455
PADEL_KR3733	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3733	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3733	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3733	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3733	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3733	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3733	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3733	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3733	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3733	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3733	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3733	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3733	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3733	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3733	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3733	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3733	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3733	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3733	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3733	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3733	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3733	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3733	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3733	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3733	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3733	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3733	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3733	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3733	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3733	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3733	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3733	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3733	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3733	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3733	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3733	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3733	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3733	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3733	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3733	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3733	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3733	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3733	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3733	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3733	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3733	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3733	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3733	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3733	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3733	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3733	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3733	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3733	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3733	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3733	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3733	O=C1CCCCCN1	C105602
PADEL_KR3733	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3733	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3733	O=C1N(CCC1)C	C872504
PADEL_KR3733	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3733	O=NN(CCCC)CCCC	C924163
PADEL_KR3733	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3733	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3733	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3733	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3733	O=C1N(C=C)CCC1	C88120
PADEL_KR3733	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3733	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3733	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3733	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3733	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3733	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3733	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3733	NC1CCCCC1	C108918
PADEL_KR3733	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3733	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3733	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3733	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3733	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3733	CCCCCCCCN(C)C	C7378996
PADEL_KR3733	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3733	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3733	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3733	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3733	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3733	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3733	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3733	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3733	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3733	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3733	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3733	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3733	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3733	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3733	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3733	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3733	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3733	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3733	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3733	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3733	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3733	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3733	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3733	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3733	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3733	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3733	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3733	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3733	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3733	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3733	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3733	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3733	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3733	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3733	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3733	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3733	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3733	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3733	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3733	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3733	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3733	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3733	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3733	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3733	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3733	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3733	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3733	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3733	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3733	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3733	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3733	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3733	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3733	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3733	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3733	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3733	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3733	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3733	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3733	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3733	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3733	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3733	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3733	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3733	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3733	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3733	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3733	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3733	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3733	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3733	S=C(NCCCC)NCCCC	C109466
PADEL_KR3733	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3733	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3733	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3733	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3733	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3733	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3733	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3733	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3733	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3733	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3733	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3733	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3733	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3733	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3733	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3733	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3733	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3733	O=CN1CCCCC1	C2591868
PADEL_KR3733	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3733	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3733	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3733	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3733	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3733	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3733	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3733	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3733	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3733	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3733	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3733	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3733	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3733	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3733	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3733	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3734	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3734	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3735	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3735	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3735	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3735	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3735	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3735	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3735	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3735	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3735	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3735	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3735	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3735	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3735	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3735	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3735	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3735	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3735	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3735	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3735	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3735	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3735	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3735	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3735	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3735	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3735	O=C1CCCCCN1	C105602
PADEL_KR3735	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3735	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3735	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3735	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3735	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3735	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3735	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3735	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3735	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3735	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3735	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3735	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3735	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3735	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3735	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3735	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3735	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3735	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3735	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3735	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3735	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3735	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3735	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3735	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3735	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3735	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3735	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3735	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3735	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3735	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3735	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3735	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3735	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3735	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3735	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3735	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3735	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3735	O=CN1CCCCC1	C2591868
PADEL_KR3735	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3736	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3736	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3736	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3736	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3737	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3737	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3737	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3737	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3737	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3737	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3737	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3737	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3737	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3737	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3737	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3737	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3737	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3737	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3737	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3737	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3737	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3737	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3737	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3737	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3737	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3737	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3737	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3737	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3737	OCCOCCOCCOCCCC	C143226
PADEL_KR3737	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3737	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3737	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3737	OC(=O)CCCC	C109524
PADEL_KR3737	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3737	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3737	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3737	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3737	CC(O)CC(C)(C)O	C107415
PADEL_KR3737	C1CCCCC1O	C108930
PADEL_KR3737	CCCCCCO	C111273
PADEL_KR3737	CCCCCCCO	C111706
PADEL_KR3737	CCCCCC(=O)OCC	C123660
PADEL_KR3737	CCCCCCCCCO	C143088
PADEL_KR3737	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3737	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3737	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3737	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3737	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3737	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3737	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3737	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3737	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3737	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3737	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3737	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3737	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3737	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3737	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3737	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3737	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3737	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3737	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3737	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3737	OCCCCO	C110634
PADEL_KR3737	O=C(OCCCC)C=C	C141322
PADEL_KR3737	C(OCCCC)C1CO1	C2426086
PADEL_KR3737	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3737	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3737	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3737	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3737	OCC(C(O)CCC)CC	C94962
PADEL_KR3737	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3737	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3737	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3737	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3737	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3737	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3737	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3737	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3737	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3737	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3737	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3737	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3737	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3737	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3737	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3737	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3737	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3737	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3737	O=C(C)OCCOCCCC	C112072
PADEL_KR3737	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3737	OC(CCCCCC)C	C123966
PADEL_KR3737	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3737	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3737	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3737	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3737	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3737	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3737	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3737	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3737	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3737	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3737	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3737	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3737	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3737	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3737	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3737	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3737	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3737	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3737	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3737	OCC1OCCC1	C97994
PADEL_KR3737	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3737	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3737	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3737	OCC(CCC)CCCCC	C10042598
PADEL_KR3737	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3737	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3737	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3737	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3737	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3737	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3737	OC(OCCCC)CC	C29387868
PADEL_KR3737	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3737	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3737	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3737	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3737	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3737	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3737	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3737	OC1CCCC1	C96413
PADEL_KR3737	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3737	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3737	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3737	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3737	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3737	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3737	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3737	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3737	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3737	OC(CCCCC)C=C	C3391864
PADEL_KR3737	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3737	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3737	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3737	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3737	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3737	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3737	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3737	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3737	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3737	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3737	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3737	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3737	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3737	O=C1OCC(CC)O1	C4437858
PADEL_KR3737	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3737	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3737	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3737	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3737	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3737	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3737	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3737	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3737	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3737	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3737	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3737	O=C1CCC(O1)CC	C695067
PADEL_KR3737	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3737	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3737	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3737	O1C=CCCC1	C110872
PADEL_KR3737	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3737	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3737	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3737	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3737	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3737	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3737	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3737	O=C(CCC)OCCCCC	C540181
PADEL_KR3737	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3737	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3737	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3737	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3737	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3737	OCCOCC(CC)CCCC	C1559359
PADEL_KR3737	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3737	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3737	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3737	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3737	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3737	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3737	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3737	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3737	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3737	OC(C)C(=O)OCCCC	C138227
PADEL_KR3737	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3737	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3737	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3737	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3737	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3737	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3737	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3737	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3737	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3737	O=C(C)OCCCCCCCC	C112141
PADEL_KR3737	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3737	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3737	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3737	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3737	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3737	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3737	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3737	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3737	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3737	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3737	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3737	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3737	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3737	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3737	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3737	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3737	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3737	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3737	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3737	O=C1OC(CCC)CC1	C105215
PADEL_KR3737	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3737	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3737	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3737	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3737	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3737	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3737	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3737	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3737	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3737	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3737	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3737	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3737	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3737	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3737	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3737	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3737	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3737	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3737	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3737	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3737	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3737	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3737	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3737	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3737	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3737	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3737	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3737	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3737	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3737	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3737	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3737	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3737	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3737	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3737	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3737	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3737	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3737	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3737	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3737	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3737	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3737	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3737	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3737	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3737	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3737	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3737	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3737	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3737	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3737	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3737	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3737	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3737	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3737	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3737	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3737	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3737	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3737	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3737	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3737	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3737	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3737	O=C1CCCO1	C96480
PADEL_KR3737	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3737	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3737	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3737	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3737	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3737	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3737	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3737	CCC(CCCC)CO	C104767
PADEL_KR3737	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3737	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3737	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3737	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3737	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3737	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3737	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3737	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3737	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3737	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3737	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3737	OC(=O)CCC	C107926
PADEL_KR3737	CCCCOCCOCCO	C112345
PADEL_KR3737	CCCCCCCCCC(=O)O	C334485
PADEL_KR3737	O=C(O)CCCCCC	C111148
PADEL_KR3737	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3737	CCCCCC(=O)O	C142621
PADEL_KR3737	CCCCCCCCC(=O)O	C112050
PADEL_KR3737	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3737	CCCCCCCC(=O)O	C124072
PADEL_KR3737	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3737	CCCCCCCCO	C111875
PADEL_KR3737	CCCCCCCCCCO	C112301
PADEL_KR3737	CCCCCCCCCCCCCO	C112709
PADEL_KR3737	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3737	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3737	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3737	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3737	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3737	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3737	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3737	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3737	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3737	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3737	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3737	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3737	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3737	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3737	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3737	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3737	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3737	CCCCOCCO	C111762
PADEL_KR3737	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3737	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3737	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3737	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3737	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3737	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3737	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3737	O=C(O)C(CCCC)CC	C149575
PADEL_KR3737	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3737	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3737	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3737	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3737	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3737	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3737	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3737	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3737	OCCC(O)C	C107880
PADEL_KR3737	OC(CC(C)C)C	C108112
PADEL_KR3737	O=C(OC)CCCCCCC	C111115
PADEL_KR3737	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3737	OCCOCCCCCC	C112254
PADEL_KR3737	OCCCCCCCCCCC	C112425
PADEL_KR3737	OCCCCCCCCCCCC	C112538
PADEL_KR3737	OCCCCCCCCCCCCCC	C112721
PADEL_KR3737	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3737	O=C(C)OCCCCC	C628637
PADEL_KR3737	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3737	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3737	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3737	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3737	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3737	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3737	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3737	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3737	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3737	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3737	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3737	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3737	CCC12N(COC1)COC2	C7747355
PADEL_KR3737	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3737	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3737	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3737	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3737	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3737	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3737	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3737	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3737	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3737	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3737	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3737	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3737	O=C(CCC)OCC	C105544
PADEL_KR3737	O=C(OCC)CCCCCC	C106309
PADEL_KR3737	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3737	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3737	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3737	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3737	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3737	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3737	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3737	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3737	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3737	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3737	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3737	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3737	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3737	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3737	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3737	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3737	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3737	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3737	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3737	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3737	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3737	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3737	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3737	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3737	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3737	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3737	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3737	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3737	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3737	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3737	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3737	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3737	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3737	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3737	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3737	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3737	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3737	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3737	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3737	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3737	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3737	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3737	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3737	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3737	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3737	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3737	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3737	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3737	C(CO)C(C)C	C123513
PADEL_KR3737	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3737	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3737	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3737	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3737	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3737	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3737	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3737	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3737	OCCC(OC)C	C2517433
PADEL_KR3737	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3737	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3737	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3737	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3737	CC(=O)OCCCC	C123864
PADEL_KR3737	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3737	CCC1CO1	C106887
PADEL_KR3737	CC1CC(=O)O1	C3068880
PADEL_KR3737	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3737	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3737	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3737	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3737	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3737	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3737	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3737	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3737	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3737	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3737	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3737	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3737	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3737	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3737	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3737	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3737	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3737	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3737	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3737	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3737	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3737	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3737	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3737	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3737	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3737	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3737	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3737	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3737	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3737	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3737	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3737	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3737	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3737	O=C(OCCCCO)C=C	C2478106
PADEL_KR3737	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3737	NCCCOCCCCCCCC	C15930662
PADEL_KR3737	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3737	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3737	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3737	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3737	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3737	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3737	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3737	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3737	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3737	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3737	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3738	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3738	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3738	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3738	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3738	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3738	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3738	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3738	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3738	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3738	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3738	O=C(OCCCC)C=C	C141322
PADEL_KR3738	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3738	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3738	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3738	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3738	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3738	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3738	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3738	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3738	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3738	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3738	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3738	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3738	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3738	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3738	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3738	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3738	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3738	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3738	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3738	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3738	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3738	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3738	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3738	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3738	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3738	O=C1OCC(CC)O1	C4437858
PADEL_KR3738	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3738	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3738	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3738	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3738	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3738	O=C(CCC)OCCCCC	C540181
PADEL_KR3738	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3738	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3738	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3738	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3738	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3738	OC(C)C(=O)OCCCC	C138227
PADEL_KR3738	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3738	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3738	O=C(C)OCCCCCCCC	C112141
PADEL_KR3738	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3738	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3738	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3738	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3738	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3738	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3738	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3738	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3738	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3738	O=C1OC(CCC)CC1	C105215
PADEL_KR3738	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3738	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3738	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3738	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3738	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3738	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3738	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3738	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3738	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3738	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3738	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3738	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3738	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3738	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3738	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3738	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3738	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3738	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3738	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3738	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3738	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3738	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3738	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3738	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3738	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3738	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3738	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3738	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3738	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3738	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3738	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3738	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3738	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3738	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3738	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3738	O=C(C)OCCCCC	C628637
PADEL_KR3738	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3738	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3738	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3738	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3738	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3738	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3738	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3738	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3738	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3738	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3738	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3738	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3738	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3738	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3738	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3738	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3738	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3738	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3738	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3738	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3738	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3738	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3738	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3738	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3738	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3738	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3738	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3738	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3738	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3738	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3738	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3738	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3738	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3738	CC(=O)OCCCC	C123864
PADEL_KR3738	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3738	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3738	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3738	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3738	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3738	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3738	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3738	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3738	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3738	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3738	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3738	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3738	O=C(OCCCCO)C=C	C2478106
PADEL_KR3738	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3738	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3738	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3739	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3739	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3739	C(CCCCCC)CCCCCS	C112550
PADEL_KR3739	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3739	SC(C)(C)CCCCCC	C25360105
PADEL_KR3739	OCCSCCCCCCCC	C3547339
PADEL_KR3739	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3739	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3739	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR3739	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3739	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3739	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3739	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3739	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3739	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3739	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3739	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3739	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3739	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3739	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3739	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3739	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3739	SC1CCCC1	C1679078
PADEL_KR3739	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3740	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3740	CC(CNCC(C)O)O	C110974
PADEL_KR3740	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3740	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3740	O=NN1CCCC1	C930552
PADEL_KR3740	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3740	OC(C)CN	C78966
PADEL_KR3740	CCCCCCCCCCCCN	C124221
PADEL_KR3740	CCCCCCCCCCN	C2016571
PADEL_KR3740	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3740	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3740	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3740	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3740	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3740	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3740	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3740	C(CCN)CCCN	C124094
PADEL_KR3740	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3740	N(CCCN)(C)C	C109557
PADEL_KR3740	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3740	N1CCCCCC1	C111499
PADEL_KR3740	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3740	O=C1NCCC1	C616455
PADEL_KR3740	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3740	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3740	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3740	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3740	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3740	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3740	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3740	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3740	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3740	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3740	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3740	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3740	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3740	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3740	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3740	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3740	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3740	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3740	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3740	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3740	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3740	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3740	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3740	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3740	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3740	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3740	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3740	NCCCN1CCOCC1	C123002
PADEL_KR3740	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3740	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3740	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3740	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3740	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3740	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3740	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3740	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3740	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3740	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3740	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3740	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3740	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3740	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3740	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3740	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3740	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3740	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3740	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3740	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3740	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3740	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3740	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3740	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3740	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3740	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3740	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3740	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3740	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3740	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3740	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3740	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3740	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3740	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3740	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3740	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3740	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3740	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3740	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3740	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3740	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3740	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3740	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3740	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3740	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3740	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3740	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3740	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3740	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3740	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3740	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3740	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3740	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3740	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3740	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3740	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3740	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3740	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3740	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3740	O=C1CCCCCN1	C105602
PADEL_KR3740	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3740	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3740	O=C1N(CCC1)C	C872504
PADEL_KR3740	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3740	O=NN(CCCC)CCCC	C924163
PADEL_KR3740	O=NN(CCC)CCC	C621647
PADEL_KR3740	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3740	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3740	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3740	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3740	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3740	O=C1N(C=C)CCC1	C88120
PADEL_KR3740	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3740	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3740	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3740	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3740	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3740	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3740	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3740	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3740	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3740	NC1CCCCC1	C108918
PADEL_KR3740	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3740	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3740	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3740	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3740	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3740	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3740	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3740	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3740	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3740	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3740	CCC12N(COC1)COC2	C7747355
PADEL_KR3740	O=C(N)C(=C)C	C79390
PADEL_KR3740	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3740	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3740	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3740	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3740	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3740	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3740	CCCCCCCCN(C)C	C7378996
PADEL_KR3740	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3740	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3740	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3740	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3740	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3740	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3740	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3740	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3740	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3740	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3740	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3740	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3740	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3740	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3740	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3740	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3740	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3740	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3740	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3740	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3740	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3740	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3740	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3740	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3740	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3740	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3740	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3740	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3740	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3740	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3740	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3740	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3740	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3740	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3740	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3740	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3740	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3740	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3740	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3740	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3740	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3740	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3740	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3740	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3740	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3740	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3740	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3740	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3740	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3740	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3740	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3740	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3740	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3740	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3740	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3740	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3740	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3740	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3740	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3740	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3740	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3740	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3740	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3740	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3740	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3740	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3740	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3740	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3740	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3740	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3740	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3740	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3740	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3740	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3740	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3740	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3740	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3740	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3740	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3740	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3740	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3740	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3740	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3740	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3740	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3740	S=C(NCCCC)NCCCC	C109466
PADEL_KR3740	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3740	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3740	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3740	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3740	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3740	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3740	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3740	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3740	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3740	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3740	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3740	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3740	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3740	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3740	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3740	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3740	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3740	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3740	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3740	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3740	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3740	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3740	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3740	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3740	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3740	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3740	O=CN1CCCCC1	C2591868
PADEL_KR3740	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3740	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3740	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3740	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3740	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3740	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3740	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3740	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3740	NCCCOCCCCCCCC	C15930662
PADEL_KR3740	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3740	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3740	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3740	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3740	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3740	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3740	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3740	S=C=NCCCSC	C505793
PADEL_KR3740	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3740	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3740	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3741	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3741	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3741	N(CCCN)(C)C	C109557
PADEL_KR3741	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3741	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3741	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3741	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3741	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3741	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3741	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3741	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3741	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3741	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3741	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3741	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3741	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3741	NCCCN1CCOCC1	C123002
PADEL_KR3741	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3741	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3741	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3741	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3741	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3741	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3741	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3741	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3741	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3741	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3741	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3741	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3741	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3741	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3741	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3741	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3741	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3741	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3741	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3741	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3741	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3741	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3741	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3741	O=C1N(CCC1)C	C872504
PADEL_KR3741	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3741	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3741	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3741	O=C1N(C=C)CCC1	C88120
PADEL_KR3741	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3741	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3741	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3741	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3741	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3741	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3741	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3741	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3741	CCC12N(COC1)COC2	C7747355
PADEL_KR3741	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3741	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3741	CCCCCCCCN(C)C	C7378996
PADEL_KR3741	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3741	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3741	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3741	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3741	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3741	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3741	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3741	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3741	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3741	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3741	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3741	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3741	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3741	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3741	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3741	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3741	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3741	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3741	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3741	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3741	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3741	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3741	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3741	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3741	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3741	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3741	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3741	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3741	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3741	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3741	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3741	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3741	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3741	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3741	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3741	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3741	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3741	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3741	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3741	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3741	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3741	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3741	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3741	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3741	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3741	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3741	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3741	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3741	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3741	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3741	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3741	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3741	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3741	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3741	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3741	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3741	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3741	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3741	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3741	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3741	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3741	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3741	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3741	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3741	O=CN1CCCCC1	C2591868
PADEL_KR3741	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3741	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3741	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3741	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3741	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3741	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3741	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3741	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3742	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3742	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3742	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3742	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3742	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3742	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3742	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3742	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3742	O=C1NCCC1	C616455
PADEL_KR3742	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3742	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3742	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3742	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3742	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3742	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3742	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3742	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3742	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3742	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3742	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3742	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3742	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3742	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3742	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3742	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3742	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3742	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3742	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3742	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3742	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3742	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3742	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3742	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3742	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3742	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3742	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3742	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3742	O=C1CCCCCN1	C105602
PADEL_KR3742	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3742	O=C1N(CCC1)C	C872504
PADEL_KR3742	O=C1N(C=C)CCC1	C88120
PADEL_KR3742	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3742	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3742	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3742	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3742	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3742	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3742	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3742	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3742	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3742	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3742	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3742	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3742	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3742	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3742	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3742	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3742	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3742	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3742	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3742	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3742	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3742	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3742	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3742	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3742	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3742	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3742	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3742	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3742	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3742	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3742	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3742	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3742	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3742	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3742	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3742	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3742	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3742	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3742	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3742	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3742	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3742	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3742	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3742	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3742	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3742	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3742	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3742	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3742	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3742	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3742	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3742	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3742	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3742	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3742	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3742	O=CN1CCCCC1	C2591868
PADEL_KR3742	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3742	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3743	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3743	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3743	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3743	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3743	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3743	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3744	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3744	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3744	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3744	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3744	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3744	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3744	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3744	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3744	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3744	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3744	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3744	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3744	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3744	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3744	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3744	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3744	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3744	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3744	OC(CO)CCl	C96242
PADEL_KR3744	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3744	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3744	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3744	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3744	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3744	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR3744	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3744	OCCOCCOCCOCCCC	C143226
PADEL_KR3744	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3744	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3744	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3744	OC(=O)CCCC	C109524
PADEL_KR3744	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3744	OCCC	C71238
PADEL_KR3744	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3744	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3744	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3744	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3744	CC(O)CC(C)(C)O	C107415
PADEL_KR3744	C1CCCCC1O	C108930
PADEL_KR3744	CCCCCCO	C111273
PADEL_KR3744	CCCCCCCO	C111706
PADEL_KR3744	CCCCCC(=O)OCC	C123660
PADEL_KR3744	CCCCCCCCCO	C143088
PADEL_KR3744	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3744	CC/C=C\CCO	C928961
PADEL_KR3744	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3744	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3744	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3744	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3744	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3744	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3744	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3744	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3744	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3744	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3744	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3744	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3744	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3744	C(=O)(O)C(C)O	C50215
PADEL_KR3744	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3744	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3744	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3744	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3744	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3744	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3744	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3744	NC(CO)(CO)CO	C77861
PADEL_KR3744	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3744	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3744	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3744	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3744	CC(O)COC	C107982
PADEL_KR3744	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3744	OCCCCO	C110634
PADEL_KR3744	O=C(OCCCC)C=C	C141322
PADEL_KR3744	C(OCCCC)C1CO1	C2426086
PADEL_KR3744	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3744	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3744	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3744	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3744	OCC(C(O)CCC)CC	C94962
PADEL_KR3744	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3744	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3744	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3744	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3744	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3744	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3744	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3744	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3744	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3744	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3744	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3744	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3744	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3744	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3744	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3744	O=C1OCC(C)O1	C108327
PADEL_KR3744	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3744	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3744	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3744	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3744	O=C(C)OCCOCCCC	C112072
PADEL_KR3744	OCC(CO)(CO)CO	C115775
PADEL_KR3744	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3744	OC(CCCCCC)C	C123966
PADEL_KR3744	OCC(N)(C)C	C124685
PADEL_KR3744	OCC(C)(C)CO	C126307
PADEL_KR3744	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3744	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3744	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3744	OC(C)COc1ccccc1	C770354
PADEL_KR3744	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3744	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3744	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3744	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3744	OCCOCCC	C2807309
PADEL_KR3744	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3744	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3744	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3744	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3744	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3744	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3744	CC(CO)O	C25322694
PADEL_KR3744	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3744	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3744	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3744	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3744	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3744	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3744	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3744	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3744	OCC1OCCC1	C97994
PADEL_KR3744	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3744	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3744	OC(C)COCCC	C1569013
PADEL_KR3744	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3744	OCC(CCC)CCCCC	C10042598
PADEL_KR3744	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3744	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3744	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3744	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3744	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3744	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3744	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3744	OC(OCCCC)CC	C29387868
PADEL_KR3744	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3744	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3744	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3744	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3744	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3744	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3744	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3744	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3744	OC1CCCC1	C96413
PADEL_KR3744	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3744	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3744	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3744	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3744	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3744	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3744	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3744	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3744	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3744	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3744	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3744	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3744	OC(CCCCC)C=C	C3391864
PADEL_KR3744	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3744	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3744	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3744	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3744	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3744	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3744	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3744	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3744	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3744	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3744	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3744	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3744	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3744	O=C(CC)OCC	C105373
PADEL_KR3744	O=C1OCC(CC)O1	C4437858
PADEL_KR3744	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3744	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3744	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3744	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3744	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3744	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3744	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3744	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3744	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3744	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3744	CC(O)COCC	C1569024
PADEL_KR3744	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3744	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3744	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3744	O=C1CCC(O1)CC	C695067
PADEL_KR3744	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3744	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3744	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3744	O1C=CCCC1	C110872
PADEL_KR3744	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3744	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3744	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3744	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3744	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3744	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3744	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3744	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3744	O=C(CCC)OCCCCC	C540181
PADEL_KR3744	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3744	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3744	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3744	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3744	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3744	OCCOCC(CC)CCCC	C1559359
PADEL_KR3744	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3744	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3744	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3744	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3744	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3744	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3744	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3744	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3744	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3744	OC(C)C(=O)OCCCC	C138227
PADEL_KR3744	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3744	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3744	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3744	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR3744	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3744	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3744	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3744	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3744	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3744	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3744	O=C(C)OCCCCCCCC	C112141
PADEL_KR3744	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3744	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3744	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3744	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3744	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3744	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3744	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3744	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3744	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3744	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3744	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3744	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3744	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3744	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3744	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3744	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3744	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3744	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3744	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3744	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3744	OCCOCC(C)OCCO	C9003116
PADEL_KR3744	O=C1OC(CCC)CC1	C105215
PADEL_KR3744	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3744	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3744	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3744	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3744	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3744	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3744	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3744	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3744	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3744	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3744	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3744	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3744	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3744	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3744	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3744	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3744	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3744	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3744	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3744	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3744	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3744	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3744	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3744	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3744	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3744	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3744	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3744	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3744	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3744	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3744	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3744	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3744	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3744	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3744	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3744	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3744	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3744	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3744	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3744	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3744	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3744	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3744	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3744	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3744	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3744	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3744	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3744	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3744	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3744	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3744	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3744	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3744	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3744	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3744	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3744	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3744	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3744	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3744	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3744	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3744	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3744	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3744	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3744	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3744	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3744	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3744	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3744	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3744	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3744	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3744	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3744	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3744	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3744	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3744	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3744	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3744	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3744	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3744	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3744	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3744	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3744	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3744	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3744	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3744	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3744	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3744	O=C1CCCO1	C96480
PADEL_KR3744	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3744	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3744	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3744	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3744	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3744	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3744	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3744	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3744	CCC(CCCC)CO	C104767
PADEL_KR3744	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3744	OCC(O)CO	C56815
PADEL_KR3744	OCC1CO1	C556525
PADEL_KR3744	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3744	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3744	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3744	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3744	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3744	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3744	O=S1(=O)CCCO1	C1120714
PADEL_KR3744	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3744	CC(CO)O	C57556
PADEL_KR3744	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3744	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3744	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3744	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3744	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3744	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3744	OC(=O)CCC	C107926
PADEL_KR3744	CCCCOCCOCCO	C112345
PADEL_KR3744	CCCCCCCCCC(=O)O	C334485
PADEL_KR3744	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3744	O=C(O)CCCCCC	C111148
PADEL_KR3744	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3744	CCCCCC(=O)O	C142621
PADEL_KR3744	CCCCCCCCC(=O)O	C112050
PADEL_KR3744	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3744	CCCCCCCC(=O)O	C124072
PADEL_KR3744	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3744	CCCCCCCCO	C111875
PADEL_KR3744	CCCCCCCCCCO	C112301
PADEL_KR3744	CCCCCCCCCCCCCO	C112709
PADEL_KR3744	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3744	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3744	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3744	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3744	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3744	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3744	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3744	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3744	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3744	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3744	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3744	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3744	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3744	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3744	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3744	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3744	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3744	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3744	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3744	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3744	CCCCOCCO	C111762
PADEL_KR3744	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3744	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3744	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3744	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3744	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3744	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3744	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3744	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3744	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3744	O=C(O)C(CCCC)CC	C149575
PADEL_KR3744	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3744	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3744	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3744	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3744	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3744	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3744	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3744	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3744	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3744	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3744	OCCC(O)C	C107880
PADEL_KR3744	OC(CC(C)C)C	C108112
PADEL_KR3744	O=C(OC)CCCCCCC	C111115
PADEL_KR3744	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3744	OCCOCCCCCC	C112254
PADEL_KR3744	OCCCCCCCCCCC	C112425
PADEL_KR3744	OCCCCCCCCCCCC	C112538
PADEL_KR3744	OCCCCCCCCCCCCCC	C112721
PADEL_KR3744	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3744	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3744	O=C(C)OCCCCC	C628637
PADEL_KR3744	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3744	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3744	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3744	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3744	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3744	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3744	OC(OC(O)CC)CC	C25265718
PADEL_KR3744	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3744	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3744	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3744	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3744	OC(OCCCOC)CC	C34590948
PADEL_KR3744	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3744	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3744	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3744	O=C(OC)CC(=O)OC	C108598
PADEL_KR3744	CCC12N(COC1)COC2	C7747355
PADEL_KR3744	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3744	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3744	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3744	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3744	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3744	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3744	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3744	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3744	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3744	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3744	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3744	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3744	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3744	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3744	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3744	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3744	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3744	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3744	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3744	O=C(CCC)OCC	C105544
PADEL_KR3744	O=C(OCC)CCCCCC	C106309
PADEL_KR3744	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3744	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3744	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3744	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3744	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3744	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3744	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3744	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3744	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3744	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3744	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3744	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3744	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3744	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3744	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3744	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3744	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3744	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3744	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3744	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3744	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3744	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3744	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3744	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3744	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3744	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3744	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3744	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3744	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3744	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3744	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3744	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3744	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3744	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3744	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3744	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3744	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR3744	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3744	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3744	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3744	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3744	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3744	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3744	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3744	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3744	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3744	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3744	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3744	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3744	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3744	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3744	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3744	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3744	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3744	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3744	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3744	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3744	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3744	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3744	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3744	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3744	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3744	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3744	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3744	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3744	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3744	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3744	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3744	OCCCBr	C627189
PADEL_KR3744	C(CO)C(C)C	C123513
PADEL_KR3744	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3744	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3744	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3744	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3744	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3744	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3744	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3744	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3744	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3744	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3744	OCCC(OC)C	C2517433
PADEL_KR3744	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3744	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3744	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3744	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3744	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3744	CC(=O)OCCCC	C123864
PADEL_KR3744	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3744	CCC1CO1	C106887
PADEL_KR3744	CC1CC(=O)O1	C3068880
PADEL_KR3744	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3744	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3744	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3744	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3744	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3744	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3744	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3744	CC(=O)C(=O)O	C127173
PADEL_KR3744	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3744	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3744	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3744	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3744	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3744	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3744	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3744	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3744	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3744	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3744	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3744	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3744	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3744	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3744	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3744	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3744	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3744	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3744	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3744	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3744	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3744	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3744	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3744	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3744	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3744	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3744	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3744	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3744	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3744	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3744	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3744	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3744	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3744	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3744	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3744	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3744	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3744	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3744	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3744	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3744	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3744	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3744	O=C(OCCCCO)C=C	C2478106
PADEL_KR3744	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3744	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3744	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3744	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3744	NCCCOCCCCCCCC	C15930662
PADEL_KR3744	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3744	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3744	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3744	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3744	CC1COc2ccccc2N1	C32329207
PADEL_KR3744	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3744	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3744	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3744	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3744	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3744	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3744	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3744	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3744	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3744	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3744	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3744	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3744	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3744	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3744	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3744	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3745	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3745	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3745	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3745	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3745	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3745	OC(C)C(=O)OCCCC	C138227
PADEL_KR3745	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3745	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3745	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3745	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3745	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3745	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3745	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3745	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3745	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3746	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3746	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3746	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3746	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3746	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3746	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3746	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3746	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3746	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3746	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3746	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3746	O=C(OCCCC)C=C	C141322
PADEL_KR3746	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3746	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3746	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3746	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3746	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3746	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3746	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3746	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3746	O=C1OCC(C)O1	C108327
PADEL_KR3746	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3746	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3746	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3746	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3746	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3746	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3746	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3746	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3746	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3746	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3746	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3746	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3746	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3746	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3746	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3746	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3746	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3746	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3746	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3746	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3746	O=C1OCC(CC)O1	C4437858
PADEL_KR3746	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3746	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3746	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3746	O=C1CCC(O1)CC	C695067
PADEL_KR3746	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3746	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3746	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3746	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3746	O=C(CCC)OCCCCC	C540181
PADEL_KR3746	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3746	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3746	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3746	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3746	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3746	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3746	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3746	OC(C)C(=O)OCCCC	C138227
PADEL_KR3746	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3746	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3746	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3746	O=C(C)OCCCCCCCC	C112141
PADEL_KR3746	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3746	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3746	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3746	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3746	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3746	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3746	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3746	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3746	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3746	O=C1OC(CCC)CC1	C105215
PADEL_KR3746	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3746	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3746	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3746	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3746	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3746	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3746	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3746	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3746	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3746	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3746	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3746	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3746	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3746	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3746	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3746	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3746	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3746	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3746	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3746	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3746	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3746	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3746	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3746	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3746	O=C1CCCO1	C96480
PADEL_KR3746	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3746	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3746	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3746	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3746	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3746	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3746	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3746	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3746	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3746	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3746	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3746	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3746	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3746	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3746	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3746	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3746	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3746	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3746	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3746	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3746	O=C(C)OCCCCC	C628637
PADEL_KR3746	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3746	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3746	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3746	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3746	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3746	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3746	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3746	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3746	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3746	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3746	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3746	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3746	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3746	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3746	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3746	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3746	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3746	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3746	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3746	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3746	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3746	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3746	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3746	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3746	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3746	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3746	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3746	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3746	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3746	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3746	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3746	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3746	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3746	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3746	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3746	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3746	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3746	CC(=O)OCCCC	C123864
PADEL_KR3746	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3746	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3746	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3746	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3746	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3746	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3746	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3746	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3746	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3746	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3746	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3746	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3746	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3746	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3746	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3746	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3746	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3746	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3746	O=C(OCCCCO)C=C	C2478106
PADEL_KR3746	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3746	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3746	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3746	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3746	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3747	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3747	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3747	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3747	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3747	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3747	O=S1(=O)CCCO1	C1120714
PADEL_KR3747	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3747	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3747	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3747	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3747	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3747	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3749	O=CCCl	C107200
PADEL_KR3749	ClCOC	C107302
PADEL_KR3749	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3749	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3749	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3749	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR3749	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3749	OC(CO)CCl	C96242
PADEL_KR3749	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR3749	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3749	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3749	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3749	ClCC(Cl)CCl	C96184
PADEL_KR3749	C=CC(Cl)CCl	C760236
PADEL_KR3749	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3749	Cl/C=C/Cl	C156605
PADEL_KR3749	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3749	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR3749	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3749	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR3749	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3749	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3749	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3749	ClC(Cl)(C)C	C594207
PADEL_KR3749	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3749	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3749	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3749	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3749	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3749	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3749	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3749	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3749	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3749	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3749	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3749	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3749	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR3749	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3749	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3749	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3749	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3749	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3749	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3749	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3749	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3749	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3749	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3749	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3749	ClCCP(=O)(O)O	C16672870
PADEL_KR3749	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3749	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR3749	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3749	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3749	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3749	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3749	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3749	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3749	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3749	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3749	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3749	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3749	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3749	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR3749	ClCCOCCCl	C111444
PADEL_KR3749	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3749	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3749	O=C(c1ccccc1)CCl	C532274
PADEL_KR3749	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3749	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3749	OC(=O)C(Cl)Cl	C79436
PADEL_KR3749	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3749	O=C(N(C)C)Cl	C79447
PADEL_KR3749	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3749	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3749	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3749	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3749	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3749	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR3749	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3749	ClCCO	C107073
PADEL_KR3749	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3749	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3749	OC(CCl)CCl	C96231
PADEL_KR3749	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR3749	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3749	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR3749	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3749	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3749	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3749	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3749	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3749	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR3749	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3749	O=C(CCl)CCl	C534076
PADEL_KR3749	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3749	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3749	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3749	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3749	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3749	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3749	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3749	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3749	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3749	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3749	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3749	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3750	CC(=O)N	C60355
PADEL_KR3750	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3750	C=CCN=C=S	C57067
PADEL_KR3750	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3750	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3750	CC(CNCC(C)O)O	C110974
PADEL_KR3750	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3750	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3750	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3750	S=C(NCC)NCC	C105555
PADEL_KR3750	CN(C)C(=O)C	C127195
PADEL_KR3750	CN(CCO)C	C108010
PADEL_KR3750	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3750	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3750	O=[N+](CC)[O-]	C79243
PADEL_KR3750	O=NN1CCCC1	C930552
PADEL_KR3750	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3750	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3750	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3750	OC(C)CN	C78966
PADEL_KR3750	OCCN1CCNCC1	C103764
PADEL_KR3750	CCNCCO	C110736
PADEL_KR3750	CCCCCCCCCCCCN	C124221
PADEL_KR3750	NCCN1CCNCC1	C140318
PADEL_KR3750	CCCCCCCCCCN	C2016571
PADEL_KR3750	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3750	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3750	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3750	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3750	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3750	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3750	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3750	NC(CO)(CO)CO	C77861
PADEL_KR3750	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3750	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3750	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3750	C(C)(C)(C)N	C75649
PADEL_KR3750	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3750	C(CCN)CCCN	C124094
PADEL_KR3750	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3750	N(CCN)CCN	C111400
PADEL_KR3750	N(CCCN)(C)C	C109557
PADEL_KR3750	C1COCCN1	C110918
PADEL_KR3750	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3750	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3750	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3750	N1CCCCCC1	C111499
PADEL_KR3750	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3750	OCC(N)(C)C	C124685
PADEL_KR3750	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3750	O=C1NCCC1	C616455
PADEL_KR3750	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3750	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3750	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3750	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3750	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3750	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3750	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3750	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3750	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3750	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3750	CN1CCOCC1	C109024
PADEL_KR3750	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3750	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3750	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3750	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3750	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3750	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3750	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3750	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3750	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3750	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3750	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3750	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3750	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3750	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3750	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3750	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3750	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3750	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3750	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3750	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3750	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3750	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3750	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3750	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3750	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3750	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3750	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3750	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3750	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3750	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3750	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3750	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3750	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3750	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3750	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR3750	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3750	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3750	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3750	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3750	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3750	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3750	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3750	NCCCN1CCOCC1	C123002
PADEL_KR3750	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3750	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3750	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3750	OCCN(CC)CCO	C139877
PADEL_KR3750	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3750	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3750	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3750	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3750	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3750	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3750	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3750	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3750	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3750	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3750	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3750	NCCN.I.I	C5700492
PADEL_KR3750	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3750	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3750	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3750	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3750	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3750	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3750	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3750	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3750	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3750	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3750	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3750	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3750	S=C1NCCN1	C96457
PADEL_KR3750	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR3750	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3750	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3750	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3750	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3750	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3750	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3750	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3750	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3750	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3750	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3750	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3750	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3750	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3750	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3750	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3750	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3750	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3750	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3750	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3750	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3750	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3750	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3750	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3750	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3750	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3750	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3750	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3750	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3750	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3750	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3750	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3750	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3750	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3750	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3750	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3750	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3750	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3750	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3750	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3750	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3750	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3750	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3750	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3750	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3750	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3750	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3750	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3750	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3750	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3750	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3750	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3750	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3750	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3750	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3750	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3750	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3750	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3750	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3750	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3750	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3750	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3750	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3750	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3750	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3750	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3750	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3750	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3750	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3750	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3750	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3750	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3750	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3750	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3750	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3750	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3750	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3750	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR3750	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3750	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3750	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3750	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3750	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3750	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3750	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3750	NC(=O)C=C	C79061
PADEL_KR3750	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3750	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3750	O=C1CCCCCN1	C105602
PADEL_KR3750	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3750	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3750	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3750	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3750	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3750	O=C1N(CCC1)C	C872504
PADEL_KR3750	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3750	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3750	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3750	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3750	O=NN(CCCC)CCCC	C924163
PADEL_KR3750	CCN(CC)N=O	C55185
PADEL_KR3750	O=NN(CCC)CCC	C621647
PADEL_KR3750	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3750	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3750	C1CNCCN1	C110850
PADEL_KR3750	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3750	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3750	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3750	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3750	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3750	OCCN(CCO)CCO	C102716
PADEL_KR3750	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3750	O=C1N(C=C)CCC1	C88120
PADEL_KR3750	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3750	CCN(CC)c1ccccc1	C91667
PADEL_KR3750	CCN(CCO)CC	C100378
PADEL_KR3750	CCNc1cc(C)ccc1	C102272
PADEL_KR3750	OCCNCCO	C111422
PADEL_KR3750	OCCN	C141435
PADEL_KR3750	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3750	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3750	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3750	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3750	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3750	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3750	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3750	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3750	NC1CCCCC1	C108918
PADEL_KR3750	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3750	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3750	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3750	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3750	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3750	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3750	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3750	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3750	N(c1ccccc1)CC	C103695
PADEL_KR3750	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3750	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3750	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3750	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3750	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3750	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3750	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3750	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3750	CCC12N(COC1)COC2	C7747355
PADEL_KR3750	O=C(N)C(=C)C	C79390
PADEL_KR3750	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3750	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3750	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3750	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3750	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3750	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3750	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3750	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3750	CCCCCCCCN(C)C	C7378996
PADEL_KR3750	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3750	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3750	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3750	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3750	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3750	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3750	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3750	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3750	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3750	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3750	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3750	O=C(C)NC	C79163
PADEL_KR3750	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3750	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3750	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3750	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3750	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3750	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3750	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3750	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3750	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3750	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3750	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3750	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3750	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3750	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3750	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3750	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3750	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3750	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3750	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3750	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3750	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3750	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3750	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3750	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3750	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3750	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3750	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3750	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3750	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3750	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3750	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3750	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3750	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3750	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3750	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3750	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3750	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3750	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3750	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3750	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3750	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3750	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3750	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3750	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3750	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3750	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3750	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3750	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3750	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3750	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3750	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3750	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3750	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3750	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3750	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3750	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3750	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3750	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3750	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3750	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3750	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3750	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3750	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3750	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3750	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3750	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3750	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3750	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3750	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3750	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3750	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3750	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3750	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3750	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3750	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3750	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3750	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3750	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3750	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3750	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3750	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3750	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3750	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3750	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3750	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3750	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3750	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3750	NCCOCCOCCN	C929599
PADEL_KR3750	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3750	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3750	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3750	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3750	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3750	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3750	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3750	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3750	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR3750	S=C(NCCCC)NCCCC	C109466
PADEL_KR3750	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3750	N(CCN(C)C)(C)C	C110189
PADEL_KR3750	CCN(CC)CC	C121448
PADEL_KR3750	NCCN	C107153
PADEL_KR3750	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3750	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3750	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3750	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3750	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR3750	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3750	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3750	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3750	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3750	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3750	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3750	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3750	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3750	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3750	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3750	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3750	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3750	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3750	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3750	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3750	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3750	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3750	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3750	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3750	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3750	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3750	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3750	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3750	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3750	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3750	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3750	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3750	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3750	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3750	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3750	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3750	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3750	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3750	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3750	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3750	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3750	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3750	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3750	O=CN1CCCCC1	C2591868
PADEL_KR3750	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3750	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3750	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3750	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3750	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3750	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3750	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3750	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3750	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3750	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3750	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3750	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3750	NCCCOCCCCCCCC	C15930662
PADEL_KR3750	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3750	CC1COc2ccccc2N1	C32329207
PADEL_KR3750	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3750	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3750	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3750	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3750	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3750	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3750	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3750	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3750	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3750	S=C=NCCCSC	C505793
PADEL_KR3750	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3750	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3750	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3750	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3750	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3750	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3750	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3751	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3751	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3751	CN(C)C(=O)C	C127195
PADEL_KR3751	CN(CCO)C	C108010
PADEL_KR3751	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3751	OCCN1CCNCC1	C103764
PADEL_KR3751	NCCN1CCNCC1	C140318
PADEL_KR3751	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3751	N(CCCN)(C)C	C109557
PADEL_KR3751	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3751	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3751	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3751	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3751	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3751	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3751	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3751	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3751	CN1CCOCC1	C109024
PADEL_KR3751	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3751	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3751	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3751	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3751	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3751	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3751	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3751	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3751	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3751	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3751	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3751	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3751	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3751	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3751	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3751	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3751	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3751	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3751	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3751	NCCCN1CCOCC1	C123002
PADEL_KR3751	OCCN(CC)CCO	C139877
PADEL_KR3751	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3751	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3751	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3751	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3751	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3751	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3751	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3751	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3751	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3751	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3751	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3751	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3751	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3751	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3751	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3751	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3751	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3751	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3751	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3751	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3751	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3751	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3751	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3751	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3751	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3751	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3751	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3751	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3751	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3751	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3751	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3751	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3751	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3751	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3751	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3751	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3751	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3751	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3751	O=C1N(CCC1)C	C872504
PADEL_KR3751	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3751	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3751	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3751	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3751	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3751	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3751	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3751	OCCN(CCO)CCO	C102716
PADEL_KR3751	O=C1N(C=C)CCC1	C88120
PADEL_KR3751	CCN(CCO)CC	C100378
PADEL_KR3751	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3751	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3751	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3751	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3751	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3751	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3751	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3751	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3751	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3751	CCC12N(COC1)COC2	C7747355
PADEL_KR3751	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3751	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3751	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3751	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3751	CCCCCCCCN(C)C	C7378996
PADEL_KR3751	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3751	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3751	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3751	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3751	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3751	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3751	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3751	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3751	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3751	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3751	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3751	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3751	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3751	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3751	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3751	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3751	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3751	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3751	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3751	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3751	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3751	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3751	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3751	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3751	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3751	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3751	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3751	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3751	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3751	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3751	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3751	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3751	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3751	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3751	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3751	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3751	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3751	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3751	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3751	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3751	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3751	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3751	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3751	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3751	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3751	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3751	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3751	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3751	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3751	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3751	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3751	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3751	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3751	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3751	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3751	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3751	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3751	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3751	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3751	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3751	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3751	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3751	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3751	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3751	N(CCN(C)C)(C)C	C110189
PADEL_KR3751	CCN(CC)CC	C121448
PADEL_KR3751	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3751	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3751	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3751	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3751	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3751	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3751	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3751	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3751	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3751	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3751	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3751	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3751	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3751	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3751	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3751	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3751	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3751	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3751	O=CN1CCCCC1	C2591868
PADEL_KR3751	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3751	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3751	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3751	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3751	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3751	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3751	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3751	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3751	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3751	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3751	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3751	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3751	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3752	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3752	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3752	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3752	OCCN1CCNCC1	C103764
PADEL_KR3752	NCCN1CCNCC1	C140318
PADEL_KR3752	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3752	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3752	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3752	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3752	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3752	CN1CCOCC1	C109024
PADEL_KR3752	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3752	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3752	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3752	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3752	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3752	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3752	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3752	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3752	NCCCN1CCOCC1	C123002
PADEL_KR3752	OCCN(CC)CCO	C139877
PADEL_KR3752	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3752	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3752	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3752	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3752	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3752	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3752	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3752	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3752	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3752	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3752	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3752	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3752	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3752	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3752	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3752	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3752	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3752	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3752	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3752	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3752	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3752	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3752	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3752	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3752	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3752	O=C1N(CCC1)C	C872504
PADEL_KR3752	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3752	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3752	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3752	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3752	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3752	OCCN(CCO)CCO	C102716
PADEL_KR3752	O=C1N(C=C)CCC1	C88120
PADEL_KR3752	CCN(CCO)CC	C100378
PADEL_KR3752	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3752	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3752	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3752	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3752	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3752	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3752	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3752	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3752	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3752	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3752	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3752	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3752	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3752	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3752	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3752	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3752	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3752	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3752	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3752	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3752	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3752	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3752	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3752	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3752	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3752	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3752	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3752	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3752	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3752	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3752	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3752	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3752	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3752	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3752	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3752	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3752	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3752	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3752	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3752	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3752	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3752	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3752	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3752	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3752	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3752	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3752	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3752	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3752	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3752	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3752	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3752	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3752	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3752	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3752	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3752	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3752	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3752	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3752	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3752	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3752	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3752	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3752	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3752	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3752	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3752	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3752	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3752	CCN(CC)CC	C121448
PADEL_KR3752	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3752	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3752	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3752	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3752	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3752	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3752	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3752	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3752	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3752	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3752	O=CN1CCCCC1	C2591868
PADEL_KR3752	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3752	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3752	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3752	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3752	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3752	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3753	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3753	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3753	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3753	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3753	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3753	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3753	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3756	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3756	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3756	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3756	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3756	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3756	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3756	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3756	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3756	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3756	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3756	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3756	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3756	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3756	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3756	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3756	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3756	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3756	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3756	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3756	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3756	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3756	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3756	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3756	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3756	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3756	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3756	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3756	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3756	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3756	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3756	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3756	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3756	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3756	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3756	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3756	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3756	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3756	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3756	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3756	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3756	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3756	O=CN1CCCCC1	C2591868
PADEL_KR3756	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3756	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3757	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3757	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3757	OCCN1CCNCC1	C103764
PADEL_KR3757	NCCN1CCNCC1	C140318
PADEL_KR3757	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3757	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3757	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3757	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3757	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3757	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3757	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3757	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3757	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3757	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3757	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3757	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3757	NCCCN1CCOCC1	C123002
PADEL_KR3757	OCCN(CC)CCO	C139877
PADEL_KR3757	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3757	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3757	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3757	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3757	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3757	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3757	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3757	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3757	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3757	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3757	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3757	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3757	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3757	OCCN(CCO)CCO	C102716
PADEL_KR3757	CCN(CCO)CC	C100378
PADEL_KR3757	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3757	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3757	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3757	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3757	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3757	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3757	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3757	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3757	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3757	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3757	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3757	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3757	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3757	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3757	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3757	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3757	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3757	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3757	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3757	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3757	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3757	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3757	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3757	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3757	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3757	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3757	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3757	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3757	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3757	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3757	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3757	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3757	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3757	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3757	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3757	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3757	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3757	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3757	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3757	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3757	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3757	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3757	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3757	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3757	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3757	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3757	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3757	CCN(CC)CC	C121448
PADEL_KR3757	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3757	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3757	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3757	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3757	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3757	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3757	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3757	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3758	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3758	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3758	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3758	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3758	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3758	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3759	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3759	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3759	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3759	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3759	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3759	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3759	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3759	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3759	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3759	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3759	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3760	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3760	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3760	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3760	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3760	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3760	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3760	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3760	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3760	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3760	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3762	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3763	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3763	OCCN1CCNCC1	C103764
PADEL_KR3763	NCCN1CCNCC1	C140318
PADEL_KR3763	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3763	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3763	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3763	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3763	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3763	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3763	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3763	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3763	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3763	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3763	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3763	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3763	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3763	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3763	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3763	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3763	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3763	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3763	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3763	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3763	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3763	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3763	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3763	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3764	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3764	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3764	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3764	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3764	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3764	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3764	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3765	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3765	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3766	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3766	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3767	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3767	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3767	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3767	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3767	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3767	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3767	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3767	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3767	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3768	C=CCN=C=S	C57067
PADEL_KR3768	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3768	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3768	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3768	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3768	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3768	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3768	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3768	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3768	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3768	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3768	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3768	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3768	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3768	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3768	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3768	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3768	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3768	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3768	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3768	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3768	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3768	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3768	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3768	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3768	S=C=NCCCSC	C505793
PADEL_KR3770	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3770	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3770	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3772	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3772	NCCCN1CCOCC1	C123002
PADEL_KR3772	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3772	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3772	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3772	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3773	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3773	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3773	CC(CNCC(C)O)O	C110974
PADEL_KR3773	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3773	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3773	S=C(NCC)NCC	C105555
PADEL_KR3773	CN(C)C(=O)C	C127195
PADEL_KR3773	CN(CCO)C	C108010
PADEL_KR3773	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3773	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3773	O=NN1CCCC1	C930552
PADEL_KR3773	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3773	OCCN1CCNCC1	C103764
PADEL_KR3773	CCNCCO	C110736
PADEL_KR3773	NCCN1CCNCC1	C140318
PADEL_KR3773	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3773	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3773	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3773	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3773	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3773	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3773	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3773	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3773	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3773	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3773	N(CCN)CCN	C111400
PADEL_KR3773	N(CCCN)(C)C	C109557
PADEL_KR3773	C1COCCN1	C110918
PADEL_KR3773	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3773	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3773	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3773	N1CCCCCC1	C111499
PADEL_KR3773	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3773	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3773	O=C1NCCC1	C616455
PADEL_KR3773	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3773	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3773	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3773	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3773	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3773	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3773	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3773	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3773	CN1CCOCC1	C109024
PADEL_KR3773	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3773	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3773	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3773	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3773	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3773	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3773	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3773	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3773	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3773	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3773	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3773	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3773	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3773	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3773	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3773	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3773	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3773	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3773	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3773	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3773	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3773	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3773	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3773	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3773	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3773	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3773	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3773	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3773	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3773	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3773	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3773	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3773	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3773	NCCCN1CCOCC1	C123002
PADEL_KR3773	OCCN(CC)CCO	C139877
PADEL_KR3773	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3773	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3773	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3773	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3773	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3773	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3773	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3773	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3773	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3773	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3773	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3773	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3773	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3773	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3773	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3773	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3773	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3773	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3773	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3773	S=C1NCCN1	C96457
PADEL_KR3773	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR3773	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3773	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3773	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3773	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3773	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3773	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3773	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3773	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3773	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3773	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3773	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3773	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3773	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3773	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3773	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3773	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3773	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3773	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3773	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3773	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3773	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3773	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3773	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3773	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3773	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3773	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3773	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3773	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3773	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3773	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3773	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3773	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3773	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3773	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3773	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3773	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3773	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3773	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3773	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3773	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3773	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3773	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3773	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3773	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3773	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3773	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3773	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3773	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3773	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3773	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3773	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3773	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3773	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3773	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3773	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3773	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3773	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR3773	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3773	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3773	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3773	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3773	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3773	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3773	O=C1CCCCCN1	C105602
PADEL_KR3773	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3773	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3773	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3773	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3773	O=C1N(CCC1)C	C872504
PADEL_KR3773	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3773	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3773	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3773	O=NN(CCCC)CCCC	C924163
PADEL_KR3773	CCN(CC)N=O	C55185
PADEL_KR3773	O=NN(CCC)CCC	C621647
PADEL_KR3773	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3773	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3773	C1CNCCN1	C110850
PADEL_KR3773	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3773	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3773	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3773	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3773	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3773	OCCN(CCO)CCO	C102716
PADEL_KR3773	O=C1N(C=C)CCC1	C88120
PADEL_KR3773	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3773	CCN(CC)c1ccccc1	C91667
PADEL_KR3773	CCN(CCO)CC	C100378
PADEL_KR3773	OCCNCCO	C111422
PADEL_KR3773	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3773	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3773	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3773	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3773	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3773	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3773	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3773	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3773	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3773	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3773	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3773	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3773	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3773	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3773	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3773	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3773	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3773	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3773	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3773	CCC12N(COC1)COC2	C7747355
PADEL_KR3773	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3773	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3773	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3773	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3773	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3773	CCCCCCCCN(C)C	C7378996
PADEL_KR3773	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3773	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3773	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3773	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3773	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3773	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3773	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3773	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3773	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3773	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3773	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3773	O=C(C)NC	C79163
PADEL_KR3773	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3773	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3773	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3773	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3773	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3773	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3773	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3773	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3773	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3773	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3773	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3773	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3773	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3773	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3773	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3773	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3773	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3773	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3773	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3773	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3773	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3773	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3773	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3773	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3773	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3773	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3773	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3773	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3773	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3773	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3773	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3773	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3773	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3773	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3773	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3773	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3773	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3773	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3773	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3773	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3773	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3773	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3773	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3773	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3773	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3773	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3773	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3773	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3773	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3773	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3773	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3773	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3773	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3773	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3773	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3773	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3773	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3773	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3773	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3773	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3773	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3773	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3773	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3773	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3773	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3773	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3773	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3773	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3773	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3773	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3773	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3773	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3773	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3773	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3773	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3773	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3773	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3773	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3773	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3773	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3773	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3773	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR3773	S=C(NCCCC)NCCCC	C109466
PADEL_KR3773	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3773	N(CCN(C)C)(C)C	C110189
PADEL_KR3773	CCN(CC)CC	C121448
PADEL_KR3773	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3773	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3773	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3773	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3773	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3773	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3773	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3773	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3773	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3773	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3773	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3773	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3773	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3773	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3773	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3773	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3773	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3773	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3773	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3773	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3773	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3773	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3773	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3773	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3773	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3773	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3773	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3773	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3773	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3773	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3773	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3773	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3773	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3773	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3773	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3773	O=CN1CCCCC1	C2591868
PADEL_KR3773	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3773	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3773	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3773	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3773	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3773	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3773	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3773	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3773	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3773	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3773	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3773	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3773	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3773	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3773	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3773	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3773	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3773	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3773	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3773	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3773	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3774	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3775	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3775	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3775	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3775	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3775	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3775	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3775	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3775	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3775	O=C1NCCC1	C616455
PADEL_KR3775	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3775	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3775	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3775	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3775	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3775	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3775	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3775	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3775	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3775	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3775	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3775	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3775	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3775	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3775	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3775	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3775	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3775	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3775	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3775	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3775	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3775	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3775	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3775	O=C1CCCCCN1	C105602
PADEL_KR3775	O=C1N(CCC1)C	C872504
PADEL_KR3775	O=C1N(C=C)CCC1	C88120
PADEL_KR3775	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3775	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3775	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3775	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3775	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3775	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3775	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3775	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3775	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3775	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3775	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3775	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3775	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3775	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3775	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3775	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3775	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3775	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3775	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3775	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3775	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3775	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3775	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3775	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3775	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3775	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3775	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3775	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3775	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3775	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3776	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3776	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3776	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3776	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3776	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3776	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3777	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3777	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3777	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3777	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3777	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3777	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3777	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3777	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3777	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3777	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3777	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3777	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3777	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3777	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3777	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3777	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3777	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3777	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3777	O=C1CCCCCN1	C105602
PADEL_KR3777	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3777	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3777	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3777	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3777	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3777	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3777	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3777	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3777	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3777	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3777	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3777	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3777	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3777	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3778	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3778	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3778	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3778	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3778	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3778	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3778	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3778	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3779	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3779	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3779	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3779	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3779	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3779	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3779	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3779	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3779	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3779	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3779	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3779	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3779	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3779	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3779	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3779	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3779	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3779	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3779	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3779	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3779	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3779	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3779	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3779	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3779	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3779	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3779	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3779	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3779	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3779	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3779	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3781	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3781	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3781	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3781	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3781	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3781	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3781	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3781	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3781	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3781	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3781	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3781	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3781	O=C1NCCC1	C616455
PADEL_KR3781	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3781	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3781	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3781	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3781	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3781	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3781	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3781	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3781	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3781	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3781	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3781	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3781	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3781	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3781	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3781	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3781	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3781	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3781	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3781	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3781	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3781	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3781	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3781	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3781	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3781	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3781	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3781	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3781	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3781	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3781	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3781	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3781	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3781	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3781	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3781	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3781	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3781	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3781	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3781	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3781	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3781	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3781	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3781	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3781	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3781	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3781	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3781	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3781	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3781	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3781	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3781	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3781	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3781	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3781	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3781	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3781	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3781	O=C1CCCCCN1	C105602
PADEL_KR3781	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3781	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3781	O=C1N(CCC1)C	C872504
PADEL_KR3781	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3781	O=C1N(C=C)CCC1	C88120
PADEL_KR3781	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3781	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3781	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3781	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3781	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3781	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3781	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3781	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3781	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3781	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3781	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3781	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3781	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3781	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3781	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3781	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3781	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3781	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3781	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3781	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3781	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3781	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3781	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3781	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3781	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3781	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3781	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3781	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3781	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3781	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3781	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3781	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3781	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3781	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3781	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3781	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3781	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3781	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3781	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3781	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3781	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3781	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3781	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3781	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3781	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3781	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3781	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3781	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3781	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3781	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3781	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3781	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3781	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3781	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3781	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3781	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3781	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3781	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3781	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3781	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3781	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3781	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3781	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3781	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3781	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3781	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3781	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3781	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3781	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3781	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3781	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3781	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3781	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3781	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3781	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3781	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3781	O=CN1CCCCC1	C2591868
PADEL_KR3781	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3781	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3781	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3781	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3781	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3781	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3782	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3782	CC(CNCC(C)O)O	C110974
PADEL_KR3782	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3782	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3782	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3782	O=NN1CCCC1	C930552
PADEL_KR3782	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3782	OCCN1CCNCC1	C103764
PADEL_KR3782	CCNCCO	C110736
PADEL_KR3782	NCCN1CCNCC1	C140318
PADEL_KR3782	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3782	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3782	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3782	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3782	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3782	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3782	N(CCN)CCN	C111400
PADEL_KR3782	C1COCCN1	C110918
PADEL_KR3782	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3782	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3782	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3782	N1CCCCCC1	C111499
PADEL_KR3782	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3782	O=C1NCCC1	C616455
PADEL_KR3782	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3782	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3782	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3782	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3782	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3782	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3782	CN1CCOCC1	C109024
PADEL_KR3782	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3782	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3782	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3782	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3782	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3782	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3782	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3782	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3782	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3782	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3782	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3782	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3782	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3782	NCCCN1CCOCC1	C123002
PADEL_KR3782	OCCN(CC)CCO	C139877
PADEL_KR3782	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3782	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3782	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3782	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3782	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3782	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3782	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3782	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3782	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3782	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3782	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3782	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3782	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3782	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3782	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3782	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3782	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3782	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3782	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3782	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3782	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3782	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3782	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3782	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3782	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3782	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3782	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3782	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3782	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3782	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3782	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3782	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3782	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3782	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3782	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3782	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3782	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3782	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3782	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3782	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3782	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3782	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3782	O=C1CCCCCN1	C105602
PADEL_KR3782	O=C1N(CCC1)C	C872504
PADEL_KR3782	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3782	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3782	O=NN(CCCC)CCCC	C924163
PADEL_KR3782	CCN(CC)N=O	C55185
PADEL_KR3782	O=NN(CCC)CCC	C621647
PADEL_KR3782	C1CNCCN1	C110850
PADEL_KR3782	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3782	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3782	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3782	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3782	OCCN(CCO)CCO	C102716
PADEL_KR3782	O=C1N(C=C)CCC1	C88120
PADEL_KR3782	CCN(CC)c1ccccc1	C91667
PADEL_KR3782	CCN(CCO)CC	C100378
PADEL_KR3782	OCCNCCO	C111422
PADEL_KR3782	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3782	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3782	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3782	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3782	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3782	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3782	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3782	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3782	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3782	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3782	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3782	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3782	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3782	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3782	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3782	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3782	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3782	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3782	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3782	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3782	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3782	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3782	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3782	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3782	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3782	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3782	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3782	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3782	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3782	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3782	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3782	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3782	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3782	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3782	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3782	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3782	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3782	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3782	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3782	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3782	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3782	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3782	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3782	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3782	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3782	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3782	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3782	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3782	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3782	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3782	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3782	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3782	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3782	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3782	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3782	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3782	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3782	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3782	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3782	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3782	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3782	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3782	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3782	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3782	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3782	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3782	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3782	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3782	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3782	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3782	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3782	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3782	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3782	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3782	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3782	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3782	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3782	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3782	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3782	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3782	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3782	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3782	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3782	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3782	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3782	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3782	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3782	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3782	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3782	CCN(CC)CC	C121448
PADEL_KR3782	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3782	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3782	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3782	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3782	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3782	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3782	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3782	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3782	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3782	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3782	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3782	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3782	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3782	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3782	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3782	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3782	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3782	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3782	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3782	O=CN1CCCCC1	C2591868
PADEL_KR3782	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3782	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3782	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3782	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3782	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3782	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3782	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3782	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3782	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3782	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3782	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3782	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3782	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3783	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3783	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3783	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3783	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3783	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3783	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3783	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3783	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3783	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3783	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3783	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3783	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3784	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3784	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3784	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3784	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3784	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3784	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3785	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3785	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3785	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3785	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3785	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3785	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3785	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3785	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3785	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3785	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3785	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3785	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3785	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3785	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3785	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3785	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3785	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3785	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3785	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3785	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3785	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3786	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3786	CC(CNCC(C)O)O	C110974
PADEL_KR3786	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3786	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3786	OCCN1CCNCC1	C103764
PADEL_KR3786	CCNCCO	C110736
PADEL_KR3786	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3786	C1COCCN1	C110918
PADEL_KR3786	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3786	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3786	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3786	CN1CCOCC1	C109024
PADEL_KR3786	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3786	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3786	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3786	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3786	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3786	NCCCN1CCOCC1	C123002
PADEL_KR3786	OCCN(CC)CCO	C139877
PADEL_KR3786	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3786	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3786	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3786	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3786	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3786	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3786	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3786	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3786	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3786	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3786	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3786	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3786	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3786	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3786	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3786	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3786	OCCN(CCO)CCO	C102716
PADEL_KR3786	CCN(CCO)CC	C100378
PADEL_KR3786	OCCNCCO	C111422
PADEL_KR3786	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3786	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3786	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3786	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3786	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3786	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3786	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3786	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3786	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3786	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3786	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3786	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3786	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3786	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3786	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3786	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3786	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3786	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3786	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3786	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3786	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3786	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3786	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3786	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3786	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3786	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3786	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3786	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3786	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3786	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3786	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3786	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3786	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3786	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3786	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3786	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3786	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3786	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3786	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3787	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3787	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3787	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3787	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3787	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3787	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3787	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3787	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3787	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3787	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3787	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3787	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3787	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3787	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3788	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3788	C=CCO	C107186
PADEL_KR3788	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3788	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3788	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3788	CC(=O)OCc1ccccc1	C140114
PADEL_KR3788	CC(CNCC(C)O)O	C110974
PADEL_KR3788	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3788	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3788	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3788	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3788	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3788	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3788	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3788	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3788	CN(CCO)C	C108010
PADEL_KR3788	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3788	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3788	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3788	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3788	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3788	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3788	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3788	OC(CO)CCl	C96242
PADEL_KR3788	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3788	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3788	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3788	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3788	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3788	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3788	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3788	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3788	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3788	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3788	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3788	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR3788	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3788	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3788	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3788	OCCOCCOCCOCCCC	C143226
PADEL_KR3788	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3788	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3788	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3788	OC(=O)CCCC	C109524
PADEL_KR3788	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3788	OCCC	C71238
PADEL_KR3788	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3788	OC(C)CN	C78966
PADEL_KR3788	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3788	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3788	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3788	OCCN1CCNCC1	C103764
PADEL_KR3788	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3788	CC(O)CC(C)(C)O	C107415
PADEL_KR3788	C1CCCCC1O	C108930
PADEL_KR3788	C(O)C#CCO	C110656
PADEL_KR3788	CCNCCO	C110736
PADEL_KR3788	CCCCCCO	C111273
PADEL_KR3788	CCCCCCCO	C111706
PADEL_KR3788	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3788	CCCCCC(=O)OCC	C123660
PADEL_KR3788	CCCCCCCCCO	C143088
PADEL_KR3788	O=C(OC(C)(C)C)C	C540885
PADEL_KR3788	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3788	C=CC(=O)OCCO	C818611
PADEL_KR3788	CC/C=C\CCO	C928961
PADEL_KR3788	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3788	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3788	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3788	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3788	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3788	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3788	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3788	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3788	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3788	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3788	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3788	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3788	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3788	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3788	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3788	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3788	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3788	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3788	C(=O)(O)C(C)O	C50215
PADEL_KR3788	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3788	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3788	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3788	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3788	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3788	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3788	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3788	NC(CO)(CO)CO	C77861
PADEL_KR3788	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3788	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR3788	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3788	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3788	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3788	CC(O)COC	C107982
PADEL_KR3788	[Na+].[O-]C(=O)CF	C62748
PADEL_KR3788	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3788	OCCCCO	C110634
PADEL_KR3788	O=C(OCCCC)C=C	C141322
PADEL_KR3788	C(OCCCC)C1CO1	C2426086
PADEL_KR3788	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3788	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3788	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3788	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3788	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3788	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3788	OCC(C(O)CCC)CC	C94962
PADEL_KR3788	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3788	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3788	C(=O)(O)CO	C79141
PADEL_KR3788	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3788	C(C)(C)(O)C#N	C75865
PADEL_KR3788	O(C(C)C)C(=O)C	C108214
PADEL_KR3788	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3788	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3788	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3788	C1COCCN1	C110918
PADEL_KR3788	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3788	C(=O)(O)C(=O)O	C144627
PADEL_KR3788	O(c1ccc(N)cc1)CC	C156434
PADEL_KR3788	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3788	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3788	O=C(O)CS	C68111
PADEL_KR3788	O=P(OCC)(OCC)OCC	C78400
PADEL_KR3788	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3788	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR3788	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3788	OCCc1ccccc1	C60128
PADEL_KR3788	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3788	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3788	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3788	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3788	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3788	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3788	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR3788	O=C1OCC(C)O1	C108327
PADEL_KR3788	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3788	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3788	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3788	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3788	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3788	O=C(C)OCCOCCCC	C112072
PADEL_KR3788	OCCOCCOCCOC	C112356
PADEL_KR3788	OCCOCCOCCOCCO	C112607
PADEL_KR3788	OCC(CO)(CO)CO	C115775
PADEL_KR3788	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3788	OC(CCCCCC)C	C123966
PADEL_KR3788	OCC(N)(C)C	C124685
PADEL_KR3788	OCC(C)(C)CO	C126307
PADEL_KR3788	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3788	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3788	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3788	O=COC(C)C	C625558
PADEL_KR3788	OC(C)COc1ccccc1	C770354
PADEL_KR3788	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3788	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR3788	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3788	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3788	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3788	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3788	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3788	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3788	OCCOCCC	C2807309
PADEL_KR3788	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3788	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3788	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3788	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3788	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3788	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3788	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3788	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3788	CC(CO)O	C25322694
PADEL_KR3788	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3788	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3788	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3788	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3788	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3788	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3788	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3788	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3788	OCC1OCCC1	C97994
PADEL_KR3788	CN1CCOCC1	C109024
PADEL_KR3788	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3788	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3788	OC(C)COCCC	C1569013
PADEL_KR3788	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3788	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3788	OCC(CCC)CCCCC	C10042598
PADEL_KR3788	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3788	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3788	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3788	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3788	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3788	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3788	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3788	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3788	OC(OCCCC)CC	C29387868
PADEL_KR3788	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3788	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3788	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3788	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3788	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3788	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3788	OCCSCCCCCCCC	C3547339
PADEL_KR3788	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3788	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3788	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3788	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3788	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3788	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3788	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR3788	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3788	OC1CCCC1	C96413
PADEL_KR3788	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3788	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3788	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3788	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3788	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3788	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3788	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3788	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3788	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3788	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3788	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3788	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3788	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3788	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3788	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3788	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3788	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3788	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3788	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3788	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3788	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3788	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3788	OC(CCCCC)C=C	C3391864
PADEL_KR3788	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3788	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3788	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3788	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3788	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3788	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3788	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3788	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3788	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3788	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3788	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3788	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3788	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3788	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3788	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3788	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR3788	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3788	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3788	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3788	O=C(CC)OCC	C105373
PADEL_KR3788	O=C1OCC(CC)O1	C4437858
PADEL_KR3788	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3788	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3788	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3788	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3788	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3788	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3788	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3788	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3788	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3788	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3788	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3788	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3788	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3788	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3788	CC(O)COCC	C1569024
PADEL_KR3788	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3788	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3788	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3788	O=C1CCC(O1)CC	C695067
PADEL_KR3788	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3788	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3788	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3788	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3788	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3788	O1C=CCCC1	C110872
PADEL_KR3788	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3788	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3788	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3788	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3788	OCC=Cc1ccccc1	C104541
PADEL_KR3788	NCCCN1CCOCC1	C123002
PADEL_KR3788	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3788	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3788	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3788	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3788	O=C(CCC)OCCCCC	C540181
PADEL_KR3788	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3788	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3788	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3788	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3788	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3788	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR3788	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3788	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3788	OP(OCC)OCC	C762049
PADEL_KR3788	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3788	OCCOCC(CC)CCCC	C1559359
PADEL_KR3788	OCCN(CC)CCO	C139877
PADEL_KR3788	CCOC(OCC)OCC	C122510
PADEL_KR3788	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR3788	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3788	O=C(CF)O	C144490
PADEL_KR3788	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3788	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3788	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3788	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3788	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3788	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3788	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3788	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3788	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3788	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3788	OC(C)C(=O)OCCCC	C138227
PADEL_KR3788	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3788	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3788	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3788	Oc1c(OCC)cccc1	C94713
PADEL_KR3788	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3788	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR3788	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3788	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3788	OC(CO)c1ccccc1	C93561
PADEL_KR3788	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3788	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3788	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR3788	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR3788	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3788	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3788	O=C(C)OCCCCCCCC	C112141
PADEL_KR3788	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3788	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3788	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3788	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3788	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3788	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3788	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3788	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3788	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3788	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3788	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3788	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3788	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3788	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3788	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3788	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3788	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3788	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3788	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3788	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3788	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3788	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3788	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3788	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3788	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3788	OCCOCC(C)OCCO	C9003116
PADEL_KR3788	O=C1OC(CCC)CC1	C105215
PADEL_KR3788	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3788	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3788	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3788	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3788	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3788	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3788	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3788	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3788	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3788	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3788	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3788	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3788	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3788	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3788	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR3788	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3788	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR3788	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3788	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3788	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3788	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3788	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3788	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3788	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3788	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3788	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR3788	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3788	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3788	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3788	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3788	c1ccccc1OCCO	C122996
PADEL_KR3788	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR3788	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3788	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3788	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3788	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3788	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3788	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3788	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3788	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3788	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3788	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3788	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3788	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3788	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3788	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3788	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3788	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3788	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3788	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3788	OCCOC	C109864
PADEL_KR3788	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3788	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3788	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3788	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3788	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3788	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3788	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3788	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3788	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3788	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3788	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3788	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3788	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3788	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3788	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3788	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3788	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3788	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3788	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3788	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3788	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3788	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3788	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3788	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3788	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3788	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3788	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3788	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3788	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3788	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3788	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3788	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3788	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3788	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3788	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3788	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3788	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3788	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3788	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3788	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3788	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3788	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3788	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3788	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3788	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3788	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR3788	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3788	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3788	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3788	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3788	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3788	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3788	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3788	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3788	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3788	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3788	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3788	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3788	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3788	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3788	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3788	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3788	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3788	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3788	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3788	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3788	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3788	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3788	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3788	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3788	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3788	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3788	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3788	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR3788	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3788	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3788	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR3788	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3788	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3788	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3788	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3788	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3788	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3788	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3788	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3788	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3788	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3788	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3788	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR3788	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR3788	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3788	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3788	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3788	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3788	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3788	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3788	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3788	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3788	ClCCOCCCl	C111444
PADEL_KR3788	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3788	O=C1CCCO1	C96480
PADEL_KR3788	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3788	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3788	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3788	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3788	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3788	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3788	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3788	OC(=O)C(Cl)Cl	C79436
PADEL_KR3788	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3788	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR3788	OCCOCCO	C111466
PADEL_KR3788	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3788	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3788	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3788	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3788	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3788	C(CO)O	C107211
PADEL_KR3788	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3788	CCC(CCCC)CO	C104767
PADEL_KR3788	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3788	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3788	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3788	OCC(O)CO	C56815
PADEL_KR3788	OCC1CO1	C556525
PADEL_KR3788	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3788	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3788	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3788	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3788	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3788	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3788	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3788	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR3788	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3788	O=S1(=O)CCCO1	C1120714
PADEL_KR3788	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3788	CC(CO)O	C57556
PADEL_KR3788	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3788	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3788	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3788	OC(=O)C=CC=CC	C110441
PADEL_KR3788	C1C(c2ccccc2)O1	C96093
PADEL_KR3788	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3788	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3788	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3788	OCCN(CCO)CCO	C102716
PADEL_KR3788	OCCOCCOCCO	C112276
PADEL_KR3788	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR3788	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3788	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3788	NC(=O)OCC	C51796
PADEL_KR3788	OC(=O)CCC	C107926
PADEL_KR3788	CCCCOCCOCCO	C112345
PADEL_KR3788	CCCCCCCCCC(=O)O	C334485
PADEL_KR3788	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3788	O=C(O)CCCCCC	C111148
PADEL_KR3788	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3788	CCCCCC(=O)O	C142621
PADEL_KR3788	CCCCCCCCC(=O)O	C112050
PADEL_KR3788	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3788	CCCCCCCC(=O)O	C124072
PADEL_KR3788	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3788	CCN(CCO)CC	C100378
PADEL_KR3788	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3788	ClCCO	C107073
PADEL_KR3788	CC(=O)OCCOCC	C111159
PADEL_KR3788	OCCNCCO	C111422
PADEL_KR3788	CCCCCCCCO	C111875
PADEL_KR3788	CCOCCOCCO	C111900
PADEL_KR3788	CCCCCCCCCCO	C112301
PADEL_KR3788	CCCCCCCCCCCCCO	C112709
PADEL_KR3788	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3788	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3788	OCCN	C141435
PADEL_KR3788	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR3788	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3788	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3788	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3788	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3788	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3788	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3788	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3788	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3788	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3788	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3788	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3788	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3788	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3788	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3788	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3788	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3788	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3788	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3788	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3788	O=S(=O)(OCC)OCC	C64675
PADEL_KR3788	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR3788	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3788	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR3788	CCOCCO	C110805
PADEL_KR3788	CCCCOCCO	C111762
PADEL_KR3788	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3788	OCCOCCOCCOCC	C112505
PADEL_KR3788	O(CCOC)CCOC	C111966
PADEL_KR3788	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3788	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3788	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3788	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3788	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3788	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3788	OC(CCl)CCl	C96231
PADEL_KR3788	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3788	O(CCOC)CCO	C111773
PADEL_KR3788	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3788	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3788	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3788	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3788	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3788	O=C(O)C(CCCC)CC	C149575
PADEL_KR3788	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3788	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3788	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3788	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3788	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3788	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3788	C(OCCOC)COCCOC	C112492
PADEL_KR3788	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3788	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3788	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3788	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3788	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3788	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3788	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3788	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3788	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3788	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3788	OCCC(O)C	C107880
PADEL_KR3788	OC(CC(C)C)C	C108112
PADEL_KR3788	O=C(OC)CCCCCCC	C111115
PADEL_KR3788	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3788	OCCOCCCCCC	C112254
PADEL_KR3788	OCCCCCCCCCCC	C112425
PADEL_KR3788	OCCCCCCCCCCCC	C112538
PADEL_KR3788	OCCCCCCCCCCCCCC	C112721
PADEL_KR3788	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3788	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3788	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3788	O=C(C)OCCCCC	C628637
PADEL_KR3788	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3788	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3788	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3788	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3788	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3788	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3788	OC(OC(O)CC)CC	C25265718
PADEL_KR3788	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3788	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3788	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3788	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3788	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3788	OC(OCCCOC)CC	C34590948
PADEL_KR3788	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3788	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3788	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3788	O=C(OC)CC(=O)OC	C108598
PADEL_KR3788	CCC12N(COC1)COC2	C7747355
PADEL_KR3788	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3788	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3788	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3788	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3788	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3788	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3788	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3788	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3788	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3788	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3788	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR3788	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3788	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3788	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3788	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3788	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3788	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3788	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3788	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3788	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3788	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3788	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3788	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3788	O=C(CCC)OCC	C105544
PADEL_KR3788	O=C(OCC)CCCCCC	C106309
PADEL_KR3788	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3788	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3788	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3788	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3788	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3788	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3788	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3788	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3788	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3788	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3788	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3788	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3788	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3788	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3788	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3788	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3788	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3788	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3788	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3788	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3788	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3788	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3788	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3788	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3788	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3788	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3788	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3788	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3788	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3788	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3788	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3788	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3788	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3788	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3788	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3788	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3788	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3788	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3788	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3788	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3788	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3788	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3788	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3788	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3788	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3788	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3788	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3788	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3788	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3788	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3788	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3788	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3788	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3788	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3788	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3788	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR3788	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3788	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3788	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR3788	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3788	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3788	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3788	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3788	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3788	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3788	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3788	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3788	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3788	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3788	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3788	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3788	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3788	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3788	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3788	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3788	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3788	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3788	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3788	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3788	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3788	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3788	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3788	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3788	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3788	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3788	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3788	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3788	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3788	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3788	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3788	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3788	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3788	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3788	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3788	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3788	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3788	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3788	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3788	OCCCBr	C627189
PADEL_KR3788	C(=O)(C)O	C64197
PADEL_KR3788	C(CO)C(C)C	C123513
PADEL_KR3788	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3788	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3788	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3788	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3788	NCCOCCOCCN	C929599
PADEL_KR3788	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3788	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3788	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3788	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3788	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3788	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3788	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3788	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3788	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3788	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3788	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3788	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3788	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3788	OCCC(OC)C	C2517433
PADEL_KR3788	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3788	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3788	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3788	O=COCC	C109944
PADEL_KR3788	O=C(OCC)c1ccccc1	C93890
PADEL_KR3788	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3788	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3788	CC(=O)OCC	C141786
PADEL_KR3788	CC(=O)OCCCC	C123864
PADEL_KR3788	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3788	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3788	CCC1CO1	C106887
PADEL_KR3788	CC1CC(=O)O1	C3068880
PADEL_KR3788	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3788	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3788	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3788	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3788	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3788	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3788	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3788	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3788	CC(=O)C(=O)O	C127173
PADEL_KR3788	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3788	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3788	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3788	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3788	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3788	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3788	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3788	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3788	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3788	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR3788	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3788	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3788	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3788	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3788	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3788	OCC=C(C)C	C556821
PADEL_KR3788	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3788	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3788	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3788	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3788	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3788	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3788	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3788	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3788	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3788	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3788	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3788	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3788	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3788	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3788	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3788	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3788	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR3788	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3788	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3788	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3788	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3788	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3788	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3788	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3788	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3788	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3788	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3788	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3788	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3788	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3788	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3788	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3788	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3788	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3788	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3788	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3788	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3788	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3788	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3788	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR3788	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3788	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3788	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3788	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR3788	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3788	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3788	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3788	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3788	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3788	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3788	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3788	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3788	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3788	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3788	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3788	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3788	O=C(OCCCCO)C=C	C2478106
PADEL_KR3788	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3788	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3788	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3788	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3788	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3788	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3788	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3788	NCCCOCCCCCCCC	C15930662
PADEL_KR3788	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3788	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3788	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3788	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3788	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3788	CC1COc2ccccc2N1	C32329207
PADEL_KR3788	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3788	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3788	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3788	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3788	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3788	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3788	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3788	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3788	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3788	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3788	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3788	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3788	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3788	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3788	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3788	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3788	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3788	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR3788	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3788	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3788	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3788	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3788	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3788	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3789	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3789	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3789	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3789	CC(=O)OCc1ccccc1	C140114
PADEL_KR3789	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3789	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3789	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3789	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3789	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3789	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3789	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3789	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3789	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3789	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3789	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3789	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3789	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3789	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3789	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3789	OCCOCCOCCOCCCC	C143226
PADEL_KR3789	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3789	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3789	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3789	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3789	CCCCCC(=O)OCC	C123660
PADEL_KR3789	O=C(OC(C)(C)C)C	C540885
PADEL_KR3789	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3789	C=CC(=O)OCCO	C818611
PADEL_KR3789	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3789	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3789	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3789	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3789	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3789	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3789	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3789	CC(O)COC	C107982
PADEL_KR3789	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3789	O=C(OCCCC)C=C	C141322
PADEL_KR3789	C(OCCCC)C1CO1	C2426086
PADEL_KR3789	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3789	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3789	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3789	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3789	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3789	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3789	O(C(C)C)C(=O)C	C108214
PADEL_KR3789	C1COCCN1	C110918
PADEL_KR3789	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3789	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3789	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3789	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3789	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3789	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3789	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3789	O=C1OCC(C)O1	C108327
PADEL_KR3789	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3789	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3789	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3789	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3789	O=C(C)OCCOCCCC	C112072
PADEL_KR3789	OCCOCCOCCOC	C112356
PADEL_KR3789	OCCOCCOCCOCCO	C112607
PADEL_KR3789	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3789	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3789	O=COC(C)C	C625558
PADEL_KR3789	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR3789	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3789	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3789	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3789	OCCOCCC	C2807309
PADEL_KR3789	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3789	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3789	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3789	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3789	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3789	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3789	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3789	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3789	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3789	OCC1OCCC1	C97994
PADEL_KR3789	CN1CCOCC1	C109024
PADEL_KR3789	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3789	OC(C)COCCC	C1569013
PADEL_KR3789	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3789	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3789	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3789	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3789	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3789	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3789	OC(OCCCC)CC	C29387868
PADEL_KR3789	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3789	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3789	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3789	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3789	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3789	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3789	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3789	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3789	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3789	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3789	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3789	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3789	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3789	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3789	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3789	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3789	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3789	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3789	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3789	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3789	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3789	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3789	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3789	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3789	O=C(CC)OCC	C105373
PADEL_KR3789	O=C1OCC(CC)O1	C4437858
PADEL_KR3789	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3789	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3789	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3789	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3789	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3789	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3789	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3789	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3789	CC(O)COCC	C1569024
PADEL_KR3789	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3789	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3789	O=C1CCC(O1)CC	C695067
PADEL_KR3789	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3789	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3789	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3789	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3789	O1C=CCCC1	C110872
PADEL_KR3789	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3789	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3789	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3789	NCCCN1CCOCC1	C123002
PADEL_KR3789	O=C(CCC)OCCCCC	C540181
PADEL_KR3789	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3789	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3789	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3789	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3789	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3789	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3789	OCCOCC(CC)CCCC	C1559359
PADEL_KR3789	CCOC(OCC)OCC	C122510
PADEL_KR3789	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3789	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3789	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3789	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3789	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3789	OC(C)C(=O)OCCCC	C138227
PADEL_KR3789	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3789	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3789	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3789	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3789	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3789	O=C(C)OCCCCCCCC	C112141
PADEL_KR3789	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3789	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3789	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3789	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3789	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3789	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3789	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3789	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3789	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3789	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3789	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3789	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3789	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3789	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3789	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3789	OCCOCC(C)OCCO	C9003116
PADEL_KR3789	O=C1OC(CCC)CC1	C105215
PADEL_KR3789	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3789	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3789	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3789	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3789	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3789	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3789	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3789	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3789	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3789	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3789	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3789	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3789	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3789	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3789	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3789	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3789	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3789	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3789	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3789	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3789	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3789	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3789	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3789	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3789	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3789	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3789	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3789	OCCOC	C109864
PADEL_KR3789	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3789	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3789	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3789	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3789	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3789	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3789	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3789	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3789	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3789	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3789	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3789	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3789	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3789	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3789	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3789	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3789	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3789	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3789	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3789	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3789	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3789	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3789	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3789	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3789	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3789	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3789	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3789	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3789	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3789	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3789	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3789	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3789	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3789	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3789	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3789	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3789	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3789	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3789	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3789	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3789	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3789	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3789	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3789	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3789	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3789	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3789	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3789	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3789	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3789	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3789	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3789	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3789	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3789	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3789	ClCCOCCCl	C111444
PADEL_KR3789	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3789	O=C1CCCO1	C96480
PADEL_KR3789	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3789	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3789	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3789	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3789	OCCOCCO	C111466
PADEL_KR3789	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3789	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3789	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3789	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3789	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3789	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3789	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3789	OCC1CO1	C556525
PADEL_KR3789	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3789	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3789	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3789	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3789	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3789	OCCOCCOCCO	C112276
PADEL_KR3789	NC(=O)OCC	C51796
PADEL_KR3789	CCCCOCCOCCO	C112345
PADEL_KR3789	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3789	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3789	CC(=O)OCCOCC	C111159
PADEL_KR3789	CCOCCOCCO	C111900
PADEL_KR3789	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3789	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3789	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3789	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3789	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3789	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3789	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3789	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3789	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3789	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3789	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3789	CCOCCO	C110805
PADEL_KR3789	CCCCOCCO	C111762
PADEL_KR3789	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3789	OCCOCCOCCOCC	C112505
PADEL_KR3789	O(CCOC)CCOC	C111966
PADEL_KR3789	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3789	O(CCOC)CCO	C111773
PADEL_KR3789	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3789	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3789	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3789	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3789	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3789	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3789	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3789	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3789	C(OCCOC)COCCOC	C112492
PADEL_KR3789	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3789	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3789	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3789	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3789	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3789	O=C(OC)CCCCCCC	C111115
PADEL_KR3789	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3789	OCCOCCCCCC	C112254
PADEL_KR3789	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3789	O=C(C)OCCCCC	C628637
PADEL_KR3789	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3789	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3789	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3789	OC(OC(O)CC)CC	C25265718
PADEL_KR3789	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3789	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3789	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3789	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3789	OC(OCCCOC)CC	C34590948
PADEL_KR3789	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3789	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3789	O=C(OC)CC(=O)OC	C108598
PADEL_KR3789	CCC12N(COC1)COC2	C7747355
PADEL_KR3789	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3789	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3789	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3789	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3789	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3789	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3789	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3789	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3789	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3789	O=C(CCC)OCC	C105544
PADEL_KR3789	O=C(OCC)CCCCCC	C106309
PADEL_KR3789	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3789	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3789	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3789	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3789	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3789	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3789	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3789	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3789	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3789	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3789	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3789	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3789	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3789	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3789	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3789	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3789	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3789	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3789	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3789	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3789	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3789	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3789	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3789	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3789	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3789	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3789	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3789	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3789	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3789	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3789	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3789	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3789	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3789	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3789	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3789	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3789	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3789	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3789	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3789	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3789	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3789	NCCOCCOCCN	C929599
PADEL_KR3789	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3789	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3789	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3789	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3789	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3789	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3789	OCCC(OC)C	C2517433
PADEL_KR3789	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3789	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3789	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3789	O=COCC	C109944
PADEL_KR3789	O=C(OCC)c1ccccc1	C93890
PADEL_KR3789	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3789	CC(=O)OCC	C141786
PADEL_KR3789	CC(=O)OCCCC	C123864
PADEL_KR3789	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3789	CCC1CO1	C106887
PADEL_KR3789	CC1CC(=O)O1	C3068880
PADEL_KR3789	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3789	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3789	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3789	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3789	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3789	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3789	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3789	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3789	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3789	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3789	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3789	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3789	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3789	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3789	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3789	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3789	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3789	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3789	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3789	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3789	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3789	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3789	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3789	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3789	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3789	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3789	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3789	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3789	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3789	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3789	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3789	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3789	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3789	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3789	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3789	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3789	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3789	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3789	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3789	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3789	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3789	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3789	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3789	O=C(OCCCCO)C=C	C2478106
PADEL_KR3789	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3789	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3789	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3789	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3789	NCCCOCCCCCCCC	C15930662
PADEL_KR3789	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3789	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3789	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3789	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3789	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3789	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3789	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3789	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3789	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3789	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3789	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3789	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3789	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3790	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3790	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3790	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3790	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3790	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3790	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3790	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3790	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3790	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3790	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3790	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3790	CCCCCC(=O)OCC	C123660
PADEL_KR3790	O=C(OC(C)(C)C)C	C540885
PADEL_KR3790	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3790	C=CC(=O)OCCO	C818611
PADEL_KR3790	O=C(OCCCC)C=C	C141322
PADEL_KR3790	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3790	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3790	O(C(C)C)C(=O)C	C108214
PADEL_KR3790	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3790	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3790	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3790	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3790	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3790	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3790	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3790	O=C(C)OCCOCCCC	C112072
PADEL_KR3790	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3790	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3790	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3790	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3790	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3790	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3790	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3790	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3790	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3790	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3790	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3790	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3790	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3790	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3790	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3790	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3790	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3790	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3790	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3790	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3790	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3790	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3790	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3790	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3790	O=C(CC)OCC	C105373
PADEL_KR3790	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3790	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3790	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3790	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3790	O=C1CCC(O1)CC	C695067
PADEL_KR3790	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3790	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3790	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3790	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3790	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3790	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3790	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3790	O=C(CCC)OCCCCC	C540181
PADEL_KR3790	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3790	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3790	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3790	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3790	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3790	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3790	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3790	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3790	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3790	OC(C)C(=O)OCCCC	C138227
PADEL_KR3790	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3790	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3790	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3790	O=C(C)OCCCCCCCC	C112141
PADEL_KR3790	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3790	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3790	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3790	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3790	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3790	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3790	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3790	O=C1OC(CCC)CC1	C105215
PADEL_KR3790	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3790	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3790	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3790	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3790	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3790	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3790	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3790	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3790	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3790	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3790	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3790	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3790	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3790	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3790	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3790	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3790	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3790	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3790	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3790	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3790	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3790	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3790	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3790	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3790	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3790	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3790	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3790	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3790	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3790	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3790	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3790	O=C1CCCO1	C96480
PADEL_KR3790	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3790	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3790	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3790	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3790	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3790	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3790	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3790	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3790	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3790	CC(=O)OCCOCC	C111159
PADEL_KR3790	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3790	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3790	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3790	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3790	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3790	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3790	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3790	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3790	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3790	O=C(C)OCCCCC	C628637
PADEL_KR3790	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3790	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3790	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3790	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3790	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3790	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3790	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3790	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3790	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3790	O=C(CCC)OCC	C105544
PADEL_KR3790	O=C(OCC)CCCCCC	C106309
PADEL_KR3790	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3790	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3790	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3790	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3790	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3790	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3790	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3790	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3790	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3790	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3790	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3790	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3790	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3790	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3790	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3790	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3790	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3790	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3790	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3790	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3790	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3790	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3790	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3790	CC(=O)OCC	C141786
PADEL_KR3790	CC(=O)OCCCC	C123864
PADEL_KR3790	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3790	CC1CC(=O)O1	C3068880
PADEL_KR3790	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3790	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3790	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3790	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3790	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3790	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3790	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3790	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3790	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3790	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3790	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3790	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3790	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3790	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3790	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3790	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3790	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3790	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3790	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3790	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3790	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3790	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3790	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3790	O=C(OCCCCO)C=C	C2478106
PADEL_KR3790	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3790	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3790	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3790	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3790	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3790	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3790	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3790	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3791	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3793	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3794	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3794	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3794	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3794	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3794	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3794	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3794	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3794	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3794	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3794	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3795	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3795	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3795	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3795	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3795	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3795	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3795	CCCCCC(=O)OCC	C123660
PADEL_KR3795	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3795	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3795	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3795	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3795	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3795	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3795	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3795	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3795	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3795	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3795	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3795	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3795	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3795	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3795	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3795	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3795	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3795	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3795	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3795	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3795	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3795	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3795	O=C(CC)OCC	C105373
PADEL_KR3795	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3795	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3795	O=C1CCC(O1)CC	C695067
PADEL_KR3795	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3795	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3795	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3795	O=C(CCC)OCCCCC	C540181
PADEL_KR3795	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3795	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3795	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3795	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3795	OC(C)C(=O)OCCCC	C138227
PADEL_KR3795	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3795	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3795	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3795	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3795	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3795	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3795	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3795	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3795	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3795	O=C1OC(CCC)CC1	C105215
PADEL_KR3795	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3795	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3795	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3795	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3795	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3795	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3795	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3795	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3795	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3795	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3795	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3795	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3795	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3795	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3795	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3795	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3795	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3795	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3795	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3795	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3795	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3795	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3795	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3795	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3795	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3795	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3795	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3795	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3795	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3795	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3795	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3795	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3795	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3795	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3795	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3795	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3795	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3795	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3795	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3795	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3795	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3795	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3795	O=C(CCC)OCC	C105544
PADEL_KR3795	O=C(OCC)CCCCCC	C106309
PADEL_KR3795	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3795	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3795	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3795	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3795	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3795	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3795	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3795	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3795	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3795	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3795	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3795	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3795	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3795	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3795	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3795	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3795	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3795	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3795	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3795	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3795	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3795	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3795	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3795	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3795	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3795	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3795	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3795	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3795	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3795	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3795	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3795	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3795	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3797	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3798	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3798	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3798	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3798	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3800	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3800	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3801	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3802	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3802	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3802	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3802	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3802	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3802	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3802	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3803	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3803	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3803	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3803	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3803	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3803	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3803	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3803	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3803	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3803	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3803	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3803	NC(=O)OCC	C51796
PADEL_KR3803	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3803	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3803	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3803	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3803	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3803	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3803	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3806	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3806	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3806	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3806	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3806	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3806	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3806	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3806	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3806	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3806	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3806	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3806	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3806	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3806	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3806	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3806	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3806	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3806	CCCCCC(=O)OCC	C123660
PADEL_KR3806	O=C(OC(C)(C)C)C	C540885
PADEL_KR3806	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3806	C=CC(=O)OCCO	C818611
PADEL_KR3806	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3806	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3806	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3806	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3806	O=C(OCCCC)C=C	C141322
PADEL_KR3806	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3806	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3806	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3806	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3806	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3806	O(C(C)C)C(=O)C	C108214
PADEL_KR3806	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3806	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3806	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3806	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3806	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3806	O=C1OCC(C)O1	C108327
PADEL_KR3806	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3806	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3806	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3806	O=C(C)OCCOCCCC	C112072
PADEL_KR3806	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3806	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3806	O=COC(C)C	C625558
PADEL_KR3806	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3806	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3806	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3806	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3806	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3806	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3806	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3806	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3806	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3806	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3806	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3806	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3806	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3806	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3806	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3806	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3806	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3806	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3806	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3806	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3806	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3806	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3806	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3806	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3806	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3806	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3806	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3806	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3806	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3806	O=C(CC)OCC	C105373
PADEL_KR3806	O=C1OCC(CC)O1	C4437858
PADEL_KR3806	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3806	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3806	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3806	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3806	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3806	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3806	O=C1CCC(O1)CC	C695067
PADEL_KR3806	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3806	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3806	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3806	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3806	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3806	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3806	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3806	O=C(CCC)OCCCCC	C540181
PADEL_KR3806	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3806	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3806	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3806	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3806	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3806	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3806	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3806	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3806	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3806	OC(C)C(=O)OCCCC	C138227
PADEL_KR3806	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3806	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3806	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3806	O=C(C)OCCCCCCCC	C112141
PADEL_KR3806	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3806	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3806	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3806	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3806	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3806	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3806	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3806	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3806	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3806	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3806	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3806	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3806	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3806	O=C1OC(CCC)CC1	C105215
PADEL_KR3806	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3806	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3806	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3806	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3806	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3806	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3806	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3806	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3806	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3806	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3806	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3806	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3806	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3806	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3806	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3806	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3806	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3806	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3806	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3806	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3806	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3806	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3806	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3806	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3806	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3806	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3806	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3806	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3806	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3806	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3806	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3806	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3806	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3806	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3806	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3806	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3806	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3806	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3806	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3806	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3806	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3806	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3806	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3806	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3806	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3806	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3806	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3806	O=C1CCCO1	C96480
PADEL_KR3806	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3806	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3806	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3806	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3806	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3806	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3806	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3806	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3806	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3806	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3806	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3806	NC(=O)OCC	C51796
PADEL_KR3806	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3806	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3806	CC(=O)OCCOCC	C111159
PADEL_KR3806	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3806	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3806	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3806	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3806	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3806	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3806	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3806	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3806	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3806	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3806	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3806	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3806	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3806	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3806	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3806	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3806	O=C(C)OCCCCC	C628637
PADEL_KR3806	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3806	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3806	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3806	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3806	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3806	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3806	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3806	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3806	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3806	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3806	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3806	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3806	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3806	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3806	O=C(CCC)OCC	C105544
PADEL_KR3806	O=C(OCC)CCCCCC	C106309
PADEL_KR3806	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3806	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3806	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3806	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3806	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3806	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3806	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3806	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3806	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3806	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3806	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3806	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3806	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3806	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3806	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3806	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3806	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3806	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3806	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3806	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3806	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3806	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3806	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3806	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3806	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3806	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3806	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3806	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3806	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3806	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3806	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3806	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3806	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3806	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3806	O=COCC	C109944
PADEL_KR3806	O=C(OCC)c1ccccc1	C93890
PADEL_KR3806	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3806	CC(=O)OCC	C141786
PADEL_KR3806	CC(=O)OCCCC	C123864
PADEL_KR3806	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3806	CC1CC(=O)O1	C3068880
PADEL_KR3806	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3806	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3806	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3806	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3806	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3806	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3806	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3806	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3806	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3806	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3806	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3806	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3806	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3806	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3806	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3806	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3806	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3806	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3806	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3806	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3806	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3806	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3806	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3806	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3806	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3806	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3806	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3806	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3806	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3806	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3806	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3806	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3806	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3806	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3806	O=C(OCCCCO)C=C	C2478106
PADEL_KR3806	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3806	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3806	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3806	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3806	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3806	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3806	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3806	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3806	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3806	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3809	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3809	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3809	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3809	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3809	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3809	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3809	C(CCCCCC)CCCCCS	C112550
PADEL_KR3809	O=C(O)CS	C68111
PADEL_KR3809	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3809	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3809	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3809	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3809	SC(C)(C)CCCCCC	C25360105
PADEL_KR3809	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3809	OCCSCCCCCCCC	C3547339
PADEL_KR3809	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3809	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR3809	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3809	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3809	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3809	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3809	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3809	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3809	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3809	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3809	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3809	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR3809	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3809	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3809	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3809	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3809	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR3809	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3809	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3809	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3809	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3809	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3809	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3809	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3809	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3809	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3809	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3809	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3809	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR3809	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3809	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3809	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3809	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3809	O=S1(=O)CCCO1	C1120714
PADEL_KR3809	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3809	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3809	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3809	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3809	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3809	ON=CC(C)(C)SC	C1646759
PADEL_KR3809	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR3809	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3809	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3809	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3809	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3809	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3809	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3809	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3809	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3809	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3809	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3809	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3809	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3809	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3809	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR3809	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3809	O=CCCSC	C3268493
PADEL_KR3809	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3809	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3809	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR3809	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3809	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3809	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3809	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3809	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3809	SC1CCCC1	C1679078
PADEL_KR3809	S=C=NCCCSC	C505793
PADEL_KR3809	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3809	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3813	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3813	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3813	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3813	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3813	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3813	O=S1(=O)CCCO1	C1120714
PADEL_KR3813	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3813	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3813	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3813	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3813	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3813	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3813	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3814	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3814	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3814	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3814	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3814	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3814	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3814	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3814	O=S1(=O)CCCO1	C1120714
PADEL_KR3814	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3814	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3814	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3814	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3814	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3814	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3814	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3814	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3814	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3814	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3814	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3814	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3815	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3815	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3815	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3815	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3815	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3815	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3815	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3815	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3815	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR3815	O=S1(=O)CCCO1	C1120714
PADEL_KR3815	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3815	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3815	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3815	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3815	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR3815	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR3815	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR3815	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR3815	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3815	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR3815	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3815	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR3815	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3816	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3816	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3816	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3816	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3816	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3816	OCCSCCCCCCCC	C3547339
PADEL_KR3816	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3816	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3816	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3816	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3816	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3816	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR3816	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3816	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3816	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3816	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3816	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3816	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3816	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3816	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3816	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3816	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3816	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3816	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3816	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3816	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3816	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3816	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3816	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3816	ON=CC(C)(C)SC	C1646759
PADEL_KR3816	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR3816	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3816	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3816	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3816	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3816	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3816	O=CCCSC	C3268493
PADEL_KR3816	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3816	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3816	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3816	N#CSCCCCCCCCCCCC	C765151
PADEL_KR3816	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3816	S=C=NCCCSC	C505793
PADEL_KR3816	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3816	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3817	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3817	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3818	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3818	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3818	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3818	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3818	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3820	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3820	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3820	OCCSCCCCCCCC	C3547339
PADEL_KR3820	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3820	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR3820	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3820	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3820	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR3820	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3820	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3820	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3820	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3820	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3820	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3820	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3821	Nc1ccccc1.Cl	C142041
PADEL_KR3821	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR3821	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3821	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3821	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR3821	Clc1c(ccc(c1)N)C	C95749
PADEL_KR3821	O=CCCl	C107200
PADEL_KR3821	ClCOC	C107302
PADEL_KR3821	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3821	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3821	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3821	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR3821	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3821	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3821	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR3821	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR3821	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3821	OC(CO)CCl	C96242
PADEL_KR3821	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR3821	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3821	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3821	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3821	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3821	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3821	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3821	Nc1ccccc1C.Cl	C636215
PADEL_KR3821	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3821	ClCC(Cl)CCl	C96184
PADEL_KR3821	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3821	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR3821	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR3821	Oc1ccc(Cl)cc1	C106489
PADEL_KR3821	C=CC(Cl)CCl	C760236
PADEL_KR3821	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3821	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR3821	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3821	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR3821	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR3821	Cl/C=C/Cl	C156605
PADEL_KR3821	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3821	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3821	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3821	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3821	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3821	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3821	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR3821	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR3821	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_KR3821	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_KR3821	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR3821	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3821	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3821	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3821	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR3821	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3821	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR3821	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR3821	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR3821	ClP(c1ccccc1)Cl	C644973
PADEL_KR3821	Cl[Sn](CCCC)(Cl)CCCC	C683181
PADEL_KR3821	Cl[Sn](C)(C)Cl	C753731
PADEL_KR3821	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3821	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3821	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3821	Clc1cccc(C)c1	C25168052
PADEL_KR3821	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3821	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3821	Cl[Sn](Cl)(Cl)CCCC	C1118463
PADEL_KR3821	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3821	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_KR3821	ClC(Cl)(C)C	C594207
PADEL_KR3821	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR3821	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3821	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR3821	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR3821	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3821	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3821	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3821	Clc1c(Cl)ssc1=O	C1192525
PADEL_KR3821	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3821	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3821	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3821	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3821	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3821	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3821	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3821	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3821	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3821	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3821	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3821	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3821	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3821	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3821	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3821	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3821	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3821	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3821	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PADEL_KR3821	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3821	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3821	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3821	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3821	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3821	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3821	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3821	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3821	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3821	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR3821	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR3821	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3821	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3821	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3821	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR3821	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3821	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3821	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3821	Cl[Dy](Cl)Cl	C10025748
PADEL_KR3821	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3821	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR3821	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3821	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3821	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3821	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3821	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3821	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3821	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_KR3821	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3821	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3821	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3821	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3821	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3821	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3821	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR3821	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR3821	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3821	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3821	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3821	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3821	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR3821	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3821	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR3821	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3821	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3821	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3821	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR3821	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3821	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3821	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PADEL_KR3821	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3821	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3821	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR3821	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3821	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3821	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3821	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3821	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3821	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3821	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3821	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3821	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3821	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3821	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_KR3821	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3821	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3821	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3821	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3821	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3821	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3821	ClCCP(=O)(O)O	C16672870
PADEL_KR3821	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3821	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3821	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3821	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3821	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3821	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3821	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR3821	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR3821	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3821	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3821	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3821	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3821	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3821	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3821	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3821	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3821	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR3821	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3821	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3821	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR3821	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_KR3821	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR3821	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3821	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR3821	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3821	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3821	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR3821	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3821	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3821	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR3821	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3821	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3821	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3821	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3821	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3821	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3821	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR3821	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3821	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3821	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3821	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3821	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3821	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3821	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3821	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3821	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3821	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR3821	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3821	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3821	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3821	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3821	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3821	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3821	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3821	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR3821	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3821	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3821	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3821	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3821	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3821	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3821	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3821	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3821	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3821	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3821	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3821	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR3821	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3821	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR3821	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR3821	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3821	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3821	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR3821	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3821	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3821	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3821	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR3821	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3821	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR3821	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3821	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR3821	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3821	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3821	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR3821	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR3821	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3821	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3821	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3821	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3821	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3821	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3821	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR3821	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3821	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3821	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3821	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR3821	ClCCOCCCl	C111444
PADEL_KR3821	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3821	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3821	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3821	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR3821	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR3821	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3821	O=C(c1ccccc1)CCl	C532274
PADEL_KR3821	Nc1ccc(cc1)Cl	C106478
PADEL_KR3821	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3821	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3821	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3821	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3821	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3821	OC(=O)C(Cl)Cl	C79436
PADEL_KR3821	Clc1c(cccc1)Cl	C95501
PADEL_KR3821	Clc1ccc(cc1)Cl	C106467
PADEL_KR3821	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR3821	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3821	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR3821	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR3821	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3821	O=C(N(C)C)Cl	C79447
PADEL_KR3821	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3821	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3821	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3821	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3821	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PADEL_KR3821	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3821	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3821	[Hg+2].[Cl-].[Cl-]	C7487947
PADEL_KR3821	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3821	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR3821	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3821	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3821	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR3821	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3821	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR3821	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR3821	Oc1ccccc1Cl	C95578
PADEL_KR3821	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3821	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR3821	ClCCO	C107073
PADEL_KR3821	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR3821	Clc1cc(Cl)ccc1	C541731
PADEL_KR3821	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_KR3821	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3821	Cc1ccccc1Cl	C95498
PADEL_KR3821	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3821	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3821	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3821	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR3821	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR3821	Cc1ccc(Cl)cc1	C106434
PADEL_KR3821	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3821	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3821	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3821	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3821	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR3821	OC(CCl)CCl	C96231
PADEL_KR3821	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR3821	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3821	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR3821	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3821	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3821	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3821	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PADEL_KR3821	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR3821	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3821	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR3821	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3821	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3821	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3821	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3821	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3821	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3821	O=c1n(C)sc(Cl)c1	C26172554
PADEL_KR3821	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3821	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3821	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3821	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3821	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3821	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3821	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3821	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3821	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3821	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3821	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3821	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3821	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3821	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3821	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3821	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3821	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3821	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3821	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3821	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3821	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3821	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3821	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3821	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3821	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3821	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3821	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3821	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3821	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3821	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3821	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3821	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3821	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3821	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3821	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR3821	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3821	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3821	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3821	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3821	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3821	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3821	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3821	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3821	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3821	[Na+].[O-][Cl]=O	C7758192
PADEL_KR3821	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3821	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3821	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3821	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PADEL_KR3821	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR3821	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3821	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3821	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3821	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3821	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3821	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR3821	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3821	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3821	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3821	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3821	[Cl-].[Cd+2].[Cl-]	C10108642
PADEL_KR3821	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3821	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR3821	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR3821	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR3821	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3821	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3821	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3821	NNc1ccccc1.Cl	C59881
PADEL_KR3821	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR3821	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR3821	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR3821	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3821	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR3821	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3821	O=C(CCl)CCl	C534076
PADEL_KR3821	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3821	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3821	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR3821	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PADEL_KR3821	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR3821	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3821	ClC(=O)C(CC)CCCC	C760678
PADEL_KR3821	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR3821	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3821	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3821	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PADEL_KR3821	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3821	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3821	Cl[In](Cl)Cl	C10025828
PADEL_KR3821	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3821	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3821	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3821	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3821	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR3821	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3821	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3821	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3821	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR3821	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3821	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3821	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3821	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3821	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3821	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3821	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3821	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3821	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3821	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3821	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3821	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3821	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR3821	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PADEL_KR3821	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3821	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3821	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3821	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3821	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3821	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3821	Cl[Hg]c1ccccc1	C100561
PADEL_KR3821	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3821	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR3821	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR3821	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3821	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3821	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3821	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PADEL_KR3821	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3821	Cl[Sb](Cl)Cl	C10025919
PADEL_KR3821	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_KR3821	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3821	Cl[Au](Cl)Cl	C13453071
PADEL_KR3821	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3821	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3821	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3821	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3821	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3821	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3821	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3821	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3821	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3821	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3821	Cl[In](Cl)Cl.O.O	C143983919
PADEL_KR3821	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3823	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR3823	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR3823	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR3823	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3823	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3823	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3823	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3824	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3824	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3832	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3834	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3834	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3834	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3834	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3834	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3834	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3834	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3834	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3834	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR3834	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3834	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3834	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR3834	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3834	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3834	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR3834	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3834	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3836	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3836	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3836	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3836	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3836	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3837	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3837	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3837	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3837	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3837	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3837	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR3840	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3842	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3843	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3844	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3844	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3844	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3844	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3844	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3844	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR3845	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3849	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR3849	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3849	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3849	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3849	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR3849	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3849	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3851	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3851	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3852	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3852	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3852	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3852	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3852	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3852	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3852	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3852	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR3852	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3852	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR3852	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR3852	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3852	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3852	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR3852	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3854	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3854	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3855	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3855	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3855	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR3855	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3855	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3855	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3855	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3855	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR3855	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3855	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3855	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3855	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR3855	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3855	Clc1ccc(cc1)Cl	C106467
PADEL_KR3855	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3855	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR3855	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3855	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR3855	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR3855	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3855	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR3855	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3855	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR3855	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR3855	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR3855	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3856	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3857	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3857	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3857	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3857	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR3857	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3857	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3857	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3857	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3857	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3857	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3857	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3857	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3857	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3857	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3857	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3857	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3858	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3858	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3858	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3858	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3858	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3858	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3858	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3859	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR3859	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3862	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3862	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR3863	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3863	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3864	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3864	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3864	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3864	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3864	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3864	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3864	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3864	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3864	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3864	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3864	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3864	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3864	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3865	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3866	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3866	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3866	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3866	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3866	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3866	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3866	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3866	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3866	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR3866	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3866	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3866	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3866	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3866	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3866	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3866	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3866	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3866	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR3866	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3866	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3866	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3866	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3866	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3866	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3866	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3866	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3866	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3866	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR3866	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR3866	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3866	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3866	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3866	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR3866	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3866	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR3866	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3866	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR3866	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3866	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3866	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3866	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR3866	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR3866	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3866	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR3866	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR3866	Clc1cc(Cl)ccc1	C541731
PADEL_KR3866	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3866	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR3866	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR3866	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR3866	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3866	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3866	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3866	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3866	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3866	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3866	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3866	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3866	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3866	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR3866	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR3866	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3866	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3866	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3866	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3866	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3866	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3866	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3866	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3866	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3866	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3867	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3867	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3867	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3867	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3867	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3867	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3867	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3867	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3867	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3867	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3867	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3867	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3867	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3867	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3867	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3867	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3867	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3867	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3867	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3867	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3869	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR3869	Clc1c(ccc(c1)N)C	C95749
PADEL_KR3869	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3869	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR3869	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3869	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3869	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3869	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3869	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3869	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR3869	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR3869	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR3869	Oc1ccc(Cl)cc1	C106489
PADEL_KR3869	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3869	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR3869	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3869	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR3869	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3869	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3869	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3869	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3869	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR3869	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR3869	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR3869	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3869	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3869	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR3869	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3869	Clc1cccc(C)c1	C25168052
PADEL_KR3869	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR3869	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3869	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR3869	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3869	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR3869	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3869	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3869	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3869	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3869	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3869	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3869	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3869	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3869	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3869	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3869	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3869	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3869	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3869	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3869	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR3869	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3869	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3869	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3869	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3869	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR3869	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3869	Clc1ccc(CCCC)cc1	C15499271
PADEL_KR3869	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR3869	Clc1ccc(CCCCC)cc1	C79098207
PADEL_KR3869	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3869	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR3869	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR3869	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3869	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3869	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR3869	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3869	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3869	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3869	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3869	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3869	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3869	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3869	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PADEL_KR3869	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3869	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3869	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3869	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3869	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3869	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3869	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3869	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3869	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3869	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3869	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3869	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3869	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3869	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3869	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3869	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR3869	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3869	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR3869	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3869	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR3869	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3869	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR3869	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3869	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3869	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3869	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR3869	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3869	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3869	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR3869	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3869	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3869	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3869	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3869	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3869	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3869	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3869	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3869	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3869	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3869	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3869	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR3869	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3869	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3869	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3869	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3869	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3869	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3869	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR3869	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3869	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3869	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR3869	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3869	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3869	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3869	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3869	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3869	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR3869	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3869	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3869	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3869	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3869	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3869	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR3869	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR3869	Nc1ccc(cc1)Cl	C106478
PADEL_KR3869	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3869	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3869	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3869	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3869	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3869	Clc1c(cccc1)Cl	C95501
PADEL_KR3869	Clc1ccc(cc1)Cl	C106467
PADEL_KR3869	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR3869	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3869	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3869	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR3869	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3869	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR3869	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR3869	Oc1ccccc1Cl	C95578
PADEL_KR3869	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR3869	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR3869	Clc1cc(Cl)ccc1	C541731
PADEL_KR3869	Cc1ccccc1Cl	C95498
PADEL_KR3869	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3869	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3869	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR3869	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR3869	Cc1ccc(Cl)cc1	C106434
PADEL_KR3869	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3869	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR3869	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR3869	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3869	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR3869	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PADEL_KR3869	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3869	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3869	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3869	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3869	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3869	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3869	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3869	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3869	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3869	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3869	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3869	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3869	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3869	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3869	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3869	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3869	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3869	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3869	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3869	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3869	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3869	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3869	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3869	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3869	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3869	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3869	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3869	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3869	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR3869	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3869	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3869	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3869	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3869	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3869	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3869	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3869	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3869	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3869	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR3869	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3869	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3869	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR3869	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR3869	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR3869	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3869	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3869	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR3869	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3869	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR3869	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3869	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3869	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR3869	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR3869	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR3869	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3869	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3869	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3869	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3869	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3869	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR3869	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3869	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3869	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3869	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3869	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR3869	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3869	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3869	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR3869	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3869	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3869	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR3869	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3869	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3869	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3869	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3869	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR3869	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR3869	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PADEL_KR3869	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3869	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3869	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR3869	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3869	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3869	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3869	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3869	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3869	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3870	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR3872	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3872	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3872	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3872	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3872	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3872	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3872	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3872	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3872	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3872	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3872	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3872	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3872	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3872	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3872	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3873	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3873	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3873	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR3873	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3873	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3873	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR3873	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3873	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR3873	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3873	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR3873	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3873	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3873	Clc1c(cccc1)Cl	C95501
PADEL_KR3873	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR3873	Clc1c(Cl)cc(Cl)cc1	C120821
PADEL_KR3873	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3873	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PADEL_KR3873	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR3873	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR3873	Clc1c(Cl)cccc1Cl	C87616
PADEL_KR3873	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3873	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3873	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3873	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3873	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3873	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3873	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3873	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3873	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3873	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR3873	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3873	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR3873	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3873	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3873	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3874	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3874	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3874	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3874	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3874	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3874	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3874	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3875	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3875	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3875	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3875	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3875	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3875	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR3875	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR3876	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3876	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3876	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR3876	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR3876	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR3876	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3876	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3876	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR3876	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3876	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3876	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3876	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3876	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR3876	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR3876	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR3876	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PADEL_KR3876	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3876	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR3876	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3876	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3878	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR3878	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR3879	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3879	Clc1nc(Cl)nc(Cl)n1	C108770
PADEL_KR3879	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3879	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR3879	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3879	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3879	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3879	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3879	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3880	O=CCCl	C107200
PADEL_KR3880	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR3880	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3880	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3880	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3880	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3880	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3880	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3880	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3880	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3880	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3880	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3880	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3880	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3880	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3880	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3880	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3880	O=C(c1ccccc1)CCl	C532274
PADEL_KR3880	OC(=O)C(Cl)Cl	C79436
PADEL_KR3880	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3880	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3880	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3880	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3880	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR3880	O=C(CCl)CCl	C534076
PADEL_KR3880	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3881	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PADEL_KR3881	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PADEL_KR3881	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PADEL_KR3881	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PADEL_KR3881	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR3881	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3881	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PADEL_KR3881	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3881	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3881	ClC(Cl)(C)C	C594207
PADEL_KR3881	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3881	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3881	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3881	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3881	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3881	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3881	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR3881	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3881	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3881	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3881	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3881	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3881	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR3881	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3881	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3881	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PADEL_KR3881	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3881	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3881	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3881	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3881	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PADEL_KR3881	ClC(c1ccccc1)(Cl)Cl	C98077
PADEL_KR3881	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PADEL_KR3881	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3881	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PADEL_KR3881	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PADEL_KR3881	OC(=O)C(Cl)Cl	C79436
PADEL_KR3881	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3881	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3881	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PADEL_KR3881	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PADEL_KR3881	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3881	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3881	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3881	c1(ccccc1)C(Cl)Cl	C98873
PADEL_KR3881	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PADEL_KR3881	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3881	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3881	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR3881	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3881	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PADEL_KR3881	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3882	CC(=O)N	C60355
PADEL_KR3882	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3882	C=CCN=C=S	C57067
PADEL_KR3882	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3882	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3882	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3882	CC(CNCC(C)O)O	C110974
PADEL_KR3882	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3882	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3882	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3882	NC(=N)NC#N	C461585
PADEL_KR3882	S=C(NCC)NCC	C105555
PADEL_KR3882	CN(C)C(=O)C	C127195
PADEL_KR3882	CN(CCO)C	C108010
PADEL_KR3882	CN(C)N	C57147
PADEL_KR3882	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3882	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3882	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3882	NC(=O)OC	C598550
PADEL_KR3882	NC(=O)c1cccnc1	C98920
PADEL_KR3882	O=[N+](CC)[O-]	C79243
PADEL_KR3882	CN(C(=O)N)N=O	C684935
PADEL_KR3882	CN(N=O)C	C62759
PADEL_KR3882	O=NN1CCCC1	C930552
PADEL_KR3882	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3882	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3882	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3882	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR3882	NC(=S)N	C62566
PADEL_KR3882	c1(O)ccccc1C(=O)N	C65452
PADEL_KR3882	OC(C)CN	C78966
PADEL_KR3882	OCCN1CCNCC1	C103764
PADEL_KR3882	CCNCCO	C110736
PADEL_KR3882	CCCCCCCCCCCCN	C124221
PADEL_KR3882	NCCN1CCNCC1	C140318
PADEL_KR3882	CCCCCCCCCCN	C2016571
PADEL_KR3882	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3882	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3882	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3882	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3882	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3882	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3882	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3882	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR3882	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3882	NC(CO)(CO)CO	C77861
PADEL_KR3882	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3882	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3882	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3882	CNC	C124403
PADEL_KR3882	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3882	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3882	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3882	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3882	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3882	O=C(N)N=NC(=O)N	C123773
PADEL_KR3882	C(C)(C)(C)N	C75649
PADEL_KR3882	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3882	C(CCN)CCCN	C124094
PADEL_KR3882	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3882	N(CCN)CCN	C111400
PADEL_KR3882	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR3882	N(CCCN)(C)C	C109557
PADEL_KR3882	OCNC(=O)NCO	C140954
PADEL_KR3882	C1COCCN1	C110918
PADEL_KR3882	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3882	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3882	N(C)(C)C	C75503
PADEL_KR3882	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3882	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR3882	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3882	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3882	N1CCCCCC1	C111499
PADEL_KR3882	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3882	OCC(N)(C)C	C124685
PADEL_KR3882	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3882	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3882	O=C1NCCC1	C616455
PADEL_KR3882	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3882	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR3882	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3882	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3882	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3882	NNC(=S)NN	C2231574
PADEL_KR3882	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3882	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3882	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3882	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3882	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3882	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3882	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3882	CN1CCOCC1	C109024
PADEL_KR3882	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3882	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR3882	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3882	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3882	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3882	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3882	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3882	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3882	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3882	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3882	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3882	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3882	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3882	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3882	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR3882	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3882	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3882	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3882	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3882	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3882	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3882	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3882	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3882	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3882	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3882	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3882	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3882	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3882	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3882	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3882	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3882	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3882	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR3882	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3882	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3882	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3882	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3882	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3882	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3882	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3882	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3882	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3882	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3882	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3882	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3882	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3882	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR3882	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3882	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3882	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3882	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3882	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3882	Oc1ccccc1CN(C)C	C120650
PADEL_KR3882	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3882	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3882	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR3882	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR3882	NCCCN1CCOCC1	C123002
PADEL_KR3882	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3882	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3882	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3882	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR3882	OCCN(CC)CCO	C139877
PADEL_KR3882	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3882	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3882	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3882	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3882	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3882	S=C(NC)NC	C534134
PADEL_KR3882	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3882	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3882	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3882	O=C(N)Nc1ccccc1	C64108
PADEL_KR3882	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3882	NNC(=S)NC	C6610293
PADEL_KR3882	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3882	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3882	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3882	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3882	NCCN.I.I	C5700492
PADEL_KR3882	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3882	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3882	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3882	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3882	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR3882	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3882	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3882	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3882	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3882	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3882	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3882	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3882	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3882	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3882	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3882	S=C1NCCN1	C96457
PADEL_KR3882	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3882	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3882	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR3882	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3882	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3882	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3882	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR3882	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3882	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3882	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3882	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3882	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3882	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3882	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3882	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3882	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3882	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3882	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3882	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3882	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3882	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3882	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3882	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3882	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3882	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3882	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3882	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3882	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3882	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3882	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3882	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3882	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3882	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3882	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3882	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3882	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3882	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3882	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3882	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3882	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3882	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3882	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR3882	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3882	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3882	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3882	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3882	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3882	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3882	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3882	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3882	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3882	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3882	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3882	CN1CN(C)CSC1=S	C533744
PADEL_KR3882	S=C=NC	C556616
PADEL_KR3882	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3882	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3882	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3882	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3882	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3882	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3882	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3882	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3882	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3882	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3882	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3882	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3882	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3882	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3882	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3882	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3882	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3882	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3882	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3882	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3882	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3882	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3882	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3882	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3882	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3882	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3882	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3882	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3882	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3882	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR3882	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3882	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3882	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3882	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3882	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3882	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3882	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3882	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3882	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR3882	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3882	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3882	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR3882	N#CN	C420042
PADEL_KR3882	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR3882	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3882	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3882	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3882	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3882	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3882	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR3882	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3882	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3882	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3882	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR3882	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3882	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3882	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3882	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3882	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3882	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3882	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3882	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3882	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3882	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3882	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3882	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR3882	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3882	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3882	NC(=O)C=C	C79061
PADEL_KR3882	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3882	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3882	O=C1CCCCCN1	C105602
PADEL_KR3882	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3882	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3882	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3882	CN(c1ccccc1)C	C121697
PADEL_KR3882	O=C(N(C)C)Cl	C79447
PADEL_KR3882	CN(C=O)C	C68122
PADEL_KR3882	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3882	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3882	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3882	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3882	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR3882	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3882	O=C(c1ccncc1)NN	C54853
PADEL_KR3882	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3882	O=C1N(CCC1)C	C872504
PADEL_KR3882	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3882	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR3882	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR3882	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3882	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3882	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3882	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3882	O=NN(CCCC)CCCC	C924163
PADEL_KR3882	CCN(CC)N=O	C55185
PADEL_KR3882	O=NN(CCC)CCC	C621647
PADEL_KR3882	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3882	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3882	C1CNCCN1	C110850
PADEL_KR3882	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3882	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3882	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3882	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3882	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3882	OCCN(CCO)CCO	C102716
PADEL_KR3882	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3882	C(=O)(N)N	C57136
PADEL_KR3882	NC(=O)OCC	C51796
PADEL_KR3882	O=C1N(C=C)CCC1	C88120
PADEL_KR3882	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR3882	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3882	CCN(CC)c1ccccc1	C91667
PADEL_KR3882	CN(C)c1ccc(C)cc1	C99978
PADEL_KR3882	CCN(CCO)CC	C100378
PADEL_KR3882	CCNc1cc(C)ccc1	C102272
PADEL_KR3882	OCCNCCO	C111422
PADEL_KR3882	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR3882	OCCN	C141435
PADEL_KR3882	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3882	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3882	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3882	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR3882	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3882	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3882	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3882	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3882	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3882	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3882	NC1CCCCC1	C108918
PADEL_KR3882	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3882	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3882	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3882	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3882	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3882	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3882	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3882	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3882	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3882	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3882	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3882	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR3882	N(c1ccccc1)CC	C103695
PADEL_KR3882	C(=O)(N)NO	C127071
PADEL_KR3882	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3882	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3882	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3882	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3882	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3882	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3882	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3882	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR3882	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3882	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3882	CCC12N(COC1)COC2	C7747355
PADEL_KR3882	O=C(N)C(=C)C	C79390
PADEL_KR3882	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3882	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3882	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR3882	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3882	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3882	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3882	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3882	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3882	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3882	CCCCCCCCN(C)C	C7378996
PADEL_KR3882	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3882	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR3882	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3882	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3882	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR3882	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3882	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3882	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3882	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3882	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3882	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3882	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3882	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3882	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3882	O=C(C)NC	C79163
PADEL_KR3882	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3882	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3882	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3882	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3882	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3882	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3882	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3882	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3882	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3882	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3882	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3882	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3882	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3882	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3882	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3882	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3882	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3882	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3882	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3882	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3882	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3882	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3882	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3882	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3882	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3882	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3882	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3882	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3882	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3882	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3882	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3882	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3882	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR3882	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3882	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR3882	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3882	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3882	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3882	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3882	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3882	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3882	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3882	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3882	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3882	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3882	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3882	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3882	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3882	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3882	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3882	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3882	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3882	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3882	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3882	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3882	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3882	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3882	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3882	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3882	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3882	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3882	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3882	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3882	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3882	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3882	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3882	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3882	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3882	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3882	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3882	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3882	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3882	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3882	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3882	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3882	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3882	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3882	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3882	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3882	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3882	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3882	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3882	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3882	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3882	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3882	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3882	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3882	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3882	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3882	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3882	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3882	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3882	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3882	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3882	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR3882	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3882	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3882	C(=O)N	C75127
PADEL_KR3882	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3882	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3882	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3882	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3882	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3882	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3882	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3882	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3882	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3882	NCCOCCOCCN	C929599
PADEL_KR3882	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3882	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR3882	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3882	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR3882	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3882	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR3882	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR3882	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3882	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3882	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3882	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3882	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3882	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3882	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3882	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3882	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3882	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3882	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3882	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3882	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3882	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3882	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3882	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3882	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3882	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3882	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3882	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR3882	S=C(NCCCC)NCCCC	C109466
PADEL_KR3882	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3882	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR3882	NCc1cccc(CN)c1	C1477550
PADEL_KR3882	N(CCN(C)C)(C)C	C110189
PADEL_KR3882	CCN(CC)CC	C121448
PADEL_KR3882	NCCN	C107153
PADEL_KR3882	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3882	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3882	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3882	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3882	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR3882	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR3882	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3882	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR3882	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR3882	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3882	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3882	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3882	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3882	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3882	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3882	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3882	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3882	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3882	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR3882	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3882	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3882	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3882	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3882	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3882	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3882	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR3882	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3882	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3882	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3882	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3882	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3882	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3882	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3882	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3882	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3882	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3882	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3882	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3882	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3882	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR3882	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3882	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3882	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3882	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3882	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3882	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3882	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR3882	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3882	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3882	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3882	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3882	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR3882	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3882	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3882	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3882	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3882	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3882	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR3882	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3882	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3882	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3882	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3882	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3882	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3882	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3882	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3882	O=CN1CCCCC1	C2591868
PADEL_KR3882	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR3882	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3882	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3882	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3882	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3882	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3882	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3882	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR3882	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3882	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3882	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR3882	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3882	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3882	NCCCOCCCCCCCC	C15930662
PADEL_KR3882	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3882	CC1COc2ccccc2N1	C32329207
PADEL_KR3882	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3882	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3882	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3882	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3882	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3882	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3882	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3882	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3882	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3882	S=C=NCCCSC	C505793
PADEL_KR3882	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3882	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3882	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3882	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3882	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3882	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3882	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3882	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3884	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3884	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3884	CN(C)C(=O)C	C127195
PADEL_KR3884	CN(CCO)C	C108010
PADEL_KR3884	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3884	OCCN1CCNCC1	C103764
PADEL_KR3884	NCCN1CCNCC1	C140318
PADEL_KR3884	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3884	N(CCCN)(C)C	C109557
PADEL_KR3884	N(C)(C)C	C75503
PADEL_KR3884	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3884	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3884	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3884	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3884	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3884	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3884	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3884	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3884	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3884	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3884	CN1CCOCC1	C109024
PADEL_KR3884	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3884	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3884	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3884	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3884	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3884	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3884	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3884	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3884	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3884	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3884	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3884	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3884	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3884	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3884	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3884	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3884	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3884	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3884	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3884	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3884	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3884	Oc1ccccc1CN(C)C	C120650
PADEL_KR3884	NCCCN1CCOCC1	C123002
PADEL_KR3884	OCCN(CC)CCO	C139877
PADEL_KR3884	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3884	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3884	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3884	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3884	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3884	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3884	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3884	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3884	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3884	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3884	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3884	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3884	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3884	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3884	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3884	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR3884	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3884	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3884	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3884	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3884	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3884	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3884	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3884	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3884	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3884	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3884	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3884	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3884	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3884	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3884	CN1CN(C)CSC1=S	C533744
PADEL_KR3884	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3884	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3884	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3884	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3884	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3884	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3884	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3884	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3884	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3884	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3884	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3884	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3884	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3884	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3884	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3884	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3884	O=C(N(C)C)Cl	C79447
PADEL_KR3884	CN(C=O)C	C68122
PADEL_KR3884	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3884	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR3884	O=C1N(CCC1)C	C872504
PADEL_KR3884	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3884	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3884	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3884	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3884	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3884	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3884	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3884	OCCN(CCO)CCO	C102716
PADEL_KR3884	O=C1N(C=C)CCC1	C88120
PADEL_KR3884	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR3884	CCN(CCO)CC	C100378
PADEL_KR3884	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3884	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3884	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3884	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3884	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3884	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3884	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3884	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3884	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3884	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR3884	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3884	CCC12N(COC1)COC2	C7747355
PADEL_KR3884	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3884	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3884	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3884	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3884	CCCCCCCCN(C)C	C7378996
PADEL_KR3884	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3884	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3884	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3884	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3884	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3884	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3884	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3884	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3884	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3884	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3884	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3884	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3884	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3884	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3884	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3884	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3884	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3884	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3884	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3884	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3884	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3884	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR3884	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3884	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3884	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3884	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3884	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3884	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3884	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3884	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3884	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3884	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3884	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3884	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3884	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3884	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3884	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3884	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3884	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3884	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3884	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3884	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3884	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3884	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3884	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3884	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3884	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3884	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3884	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3884	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3884	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3884	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3884	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3884	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3884	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3884	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3884	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3884	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3884	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3884	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3884	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3884	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3884	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3884	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3884	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3884	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3884	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3884	N(CCN(C)C)(C)C	C110189
PADEL_KR3884	CCN(CC)CC	C121448
PADEL_KR3884	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3884	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3884	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3884	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR3884	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3884	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3884	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3884	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3884	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3884	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3884	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3884	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3884	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3884	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3884	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3884	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3884	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3884	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3884	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3884	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR3884	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3884	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3884	O=CN1CCCCC1	C2591868
PADEL_KR3884	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3884	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3884	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3884	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3884	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3884	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3884	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3884	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3884	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3884	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3884	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3884	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3884	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3885	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3885	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3885	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3887	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3887	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3887	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3887	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3887	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3887	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3887	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3887	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3887	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3887	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3887	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3887	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3887	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3887	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3887	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3887	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3888	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3888	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3888	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3888	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3888	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3888	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3888	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3888	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3888	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3888	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3889	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3889	CN(C)C(=O)C	C127195
PADEL_KR3889	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3889	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3889	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3889	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3889	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3889	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3889	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3889	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3889	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3889	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3889	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3889	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3889	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3889	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3889	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3889	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3889	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3889	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3889	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3889	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3889	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3889	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3889	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3889	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3889	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3889	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3889	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3889	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3889	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3889	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3889	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3889	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3889	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3889	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3889	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3889	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3889	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3889	O=C(N(C)C)Cl	C79447
PADEL_KR3889	CN(C=O)C	C68122
PADEL_KR3889	O=C1N(CCC1)C	C872504
PADEL_KR3889	O=C1N(C=C)CCC1	C88120
PADEL_KR3889	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3889	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3889	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3889	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3889	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3889	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3889	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3889	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3889	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3889	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3889	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3889	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3889	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3889	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3889	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3889	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3889	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3889	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3889	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3889	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3889	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3889	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3889	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3889	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3889	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3889	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3889	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3889	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3889	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3889	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3889	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3889	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3889	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3889	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3889	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3889	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3889	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3889	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3889	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3889	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3889	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3889	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3889	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3889	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3889	O=CN1CCCCC1	C2591868
PADEL_KR3889	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3889	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3892	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3892	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3892	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3892	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR3892	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3892	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3892	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR3892	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3892	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3892	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3892	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3892	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3892	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3892	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3892	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3892	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR3892	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3892	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3892	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3892	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3892	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3892	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3892	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3892	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3892	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3892	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3892	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3892	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3892	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3892	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3892	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3892	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3892	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3892	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3892	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3892	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3892	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3892	CN(c1ccccc1)C	C121697
PADEL_KR3892	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3892	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3892	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR3892	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR3892	CCN(CC)c1ccccc1	C91667
PADEL_KR3892	CN(C)c1ccc(C)cc1	C99978
PADEL_KR3892	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3892	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3892	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR3892	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3892	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3892	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3892	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3892	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3892	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3892	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3892	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3892	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3892	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3892	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3892	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3892	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3892	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3892	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3892	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3892	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3892	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3892	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3892	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR3892	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3892	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3892	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3892	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3892	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3892	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3892	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3892	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3892	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3892	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3892	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3892	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3892	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3893	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3893	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3893	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3893	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3893	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3893	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3893	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3893	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3893	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3893	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3893	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3893	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3894	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3894	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3894	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3894	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3894	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3894	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3894	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3894	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3894	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3894	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3894	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3894	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3894	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3894	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3894	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3894	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3894	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3894	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3894	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3894	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3895	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3895	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3897	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3897	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3897	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3897	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3897	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3897	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3897	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3897	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3897	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3897	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3897	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3897	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3897	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3897	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3897	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3897	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3897	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3898	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3898	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3899	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3899	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3899	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3901	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3901	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR3901	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3901	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3901	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3901	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3901	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR3901	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3901	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3902	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3902	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3905	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3905	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3905	OCCN(CC)CCO	C139877
PADEL_KR3905	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3905	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3905	OCCN(CCO)CCO	C102716
PADEL_KR3905	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3905	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3905	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3905	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3905	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3905	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3905	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3906	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3907	C=CCN=C=S	C57067
PADEL_KR3907	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3907	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3907	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3907	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3907	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3907	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3907	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR3907	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3907	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3907	S=C=NC	C556616
PADEL_KR3907	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3907	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3907	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3907	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3907	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3907	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3907	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3907	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3907	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3907	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3907	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3907	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3907	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR3907	O=C=NCCCCCCN=C=O	C822060
PADEL_KR3907	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3907	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3907	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3907	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR3907	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR3907	S=C=NCCCSC	C505793
PADEL_KR3910	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3910	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3910	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3910	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3910	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3911	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3911	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3914	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3914	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3914	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3914	O=C1N(CCC1)C	C872504
PADEL_KR3914	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3914	O=C1N(C=C)CCC1	C88120
PADEL_KR3914	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3914	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3914	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3914	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3914	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3914	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3914	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3914	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3914	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3915	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3915	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3915	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3915	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3915	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3915	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3915	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3915	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3915	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3915	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3915	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3915	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3915	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3915	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3915	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3915	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3915	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3915	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3915	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3915	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3915	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3915	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3915	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3915	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3915	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3915	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3915	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3915	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3915	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3915	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3915	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3915	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3915	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3915	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3915	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3915	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3915	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3915	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3915	O=CN1CCCCC1	C2591868
PADEL_KR3916	OCn1nc(C)cc1C	C85264331
PADEL_KR3916	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3916	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR3916	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3916	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3916	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3916	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3916	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3916	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3916	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3919	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3919	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3919	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3919	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3919	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3920	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3921	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3921	OCCN1CCNCC1	C103764
PADEL_KR3921	NCCN1CCNCC1	C140318
PADEL_KR3921	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3921	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3921	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3921	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3921	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3921	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3921	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3921	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3921	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3921	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3921	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3921	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3921	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3921	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3921	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3922	CN1CCOCC1	C109024
PADEL_KR3922	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3922	NCCCN1CCOCC1	C123002
PADEL_KR3922	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3922	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3922	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3922	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3922	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3922	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3922	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3923	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR3926	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3926	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3926	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3926	CC(CNCC(C)O)O	C110974
PADEL_KR3926	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3926	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3926	NC(=N)NC#N	C461585
PADEL_KR3926	S=C(NCC)NCC	C105555
PADEL_KR3926	CN(C)C(=O)C	C127195
PADEL_KR3926	CN(CCO)C	C108010
PADEL_KR3926	CN(C)N	C57147
PADEL_KR3926	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3926	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3926	CN(C(=O)N)N=O	C684935
PADEL_KR3926	CN(N=O)C	C62759
PADEL_KR3926	O=NN1CCCC1	C930552
PADEL_KR3926	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3926	OCCN1CCNCC1	C103764
PADEL_KR3926	CCNCCO	C110736
PADEL_KR3926	NCCN1CCNCC1	C140318
PADEL_KR3926	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3926	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3926	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3926	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3926	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3926	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR3926	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3926	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3926	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR3926	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3926	CNC	C124403
PADEL_KR3926	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3926	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3926	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3926	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3926	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3926	N(CCN)CCN	C111400
PADEL_KR3926	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR3926	N(CCCN)(C)C	C109557
PADEL_KR3926	OCNC(=O)NCO	C140954
PADEL_KR3926	C1COCCN1	C110918
PADEL_KR3926	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3926	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3926	N(C)(C)C	C75503
PADEL_KR3926	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3926	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR3926	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR3926	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3926	N1CCCCCC1	C111499
PADEL_KR3926	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR3926	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3926	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3926	O=C1NCCC1	C616455
PADEL_KR3926	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3926	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3926	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3926	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR3926	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3926	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3926	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3926	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR3926	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3926	CN1CCOCC1	C109024
PADEL_KR3926	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3926	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR3926	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3926	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3926	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3926	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3926	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3926	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3926	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3926	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR3926	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3926	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3926	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3926	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3926	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3926	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3926	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3926	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3926	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3926	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR3926	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3926	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3926	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3926	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3926	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3926	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3926	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3926	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3926	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3926	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR3926	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3926	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3926	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR3926	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3926	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3926	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3926	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3926	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3926	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR3926	Oc1ccccc1CN(C)C	C120650
PADEL_KR3926	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3926	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR3926	NCCCN1CCOCC1	C123002
PADEL_KR3926	OCCN(CC)CCO	C139877
PADEL_KR3926	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3926	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3926	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3926	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3926	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3926	S=C(NC)NC	C534134
PADEL_KR3926	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3926	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3926	NNC(=S)NC	C6610293
PADEL_KR3926	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3926	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR3926	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR3926	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3926	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3926	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3926	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3926	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR3926	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR3926	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3926	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3926	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3926	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3926	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3926	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3926	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3926	S=C1NCCN1	C96457
PADEL_KR3926	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3926	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR3926	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3926	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR3926	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3926	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3926	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3926	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3926	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3926	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3926	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3926	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3926	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3926	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR3926	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3926	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3926	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3926	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3926	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3926	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3926	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3926	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3926	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3926	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR3926	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3926	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3926	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3926	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3926	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3926	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3926	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3926	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3926	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3926	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3926	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3926	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3926	CN1CN(C)CSC1=S	C533744
PADEL_KR3926	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3926	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3926	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3926	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3926	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3926	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3926	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3926	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3926	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3926	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR3926	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3926	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3926	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3926	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3926	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3926	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3926	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3926	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3926	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3926	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3926	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3926	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3926	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3926	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3926	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3926	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3926	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3926	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR3926	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3926	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3926	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR3926	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR3926	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3926	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3926	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3926	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3926	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3926	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3926	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR3926	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3926	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3926	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3926	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3926	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3926	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR3926	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3926	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3926	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR3926	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3926	O=C1CCCCCN1	C105602
PADEL_KR3926	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3926	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3926	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3926	CN(c1ccccc1)C	C121697
PADEL_KR3926	O=C(N(C)C)Cl	C79447
PADEL_KR3926	CN(C=O)C	C68122
PADEL_KR3926	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3926	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3926	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3926	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR3926	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3926	O=C1N(CCC1)C	C872504
PADEL_KR3926	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR3926	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR3926	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR3926	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3926	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3926	O=NN(CCCC)CCCC	C924163
PADEL_KR3926	CCN(CC)N=O	C55185
PADEL_KR3926	O=NN(CCC)CCC	C621647
PADEL_KR3926	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3926	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3926	C1CNCCN1	C110850
PADEL_KR3926	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3926	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3926	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3926	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR3926	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3926	OCCN(CCO)CCO	C102716
PADEL_KR3926	O=C1N(C=C)CCC1	C88120
PADEL_KR3926	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR3926	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3926	CCN(CC)c1ccccc1	C91667
PADEL_KR3926	CN(C)c1ccc(C)cc1	C99978
PADEL_KR3926	CCN(CCO)CC	C100378
PADEL_KR3926	OCCNCCO	C111422
PADEL_KR3926	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3926	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3926	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3926	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3926	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3926	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3926	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3926	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3926	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3926	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3926	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3926	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3926	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3926	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3926	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3926	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3926	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR3926	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3926	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR3926	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR3926	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3926	CCC12N(COC1)COC2	C7747355
PADEL_KR3926	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3926	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR3926	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3926	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3926	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3926	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3926	CCCCCCCCN(C)C	C7378996
PADEL_KR3926	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3926	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR3926	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3926	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3926	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3926	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3926	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR3926	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3926	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3926	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3926	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR3926	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3926	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3926	O=C(C)NC	C79163
PADEL_KR3926	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3926	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3926	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3926	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3926	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3926	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3926	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3926	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR3926	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3926	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3926	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3926	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR3926	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3926	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3926	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3926	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3926	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3926	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3926	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR3926	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3926	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3926	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3926	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3926	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3926	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3926	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3926	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3926	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR3926	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3926	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR3926	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3926	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3926	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3926	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3926	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3926	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3926	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3926	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3926	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3926	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3926	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3926	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3926	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3926	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3926	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3926	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3926	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3926	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3926	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3926	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3926	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3926	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3926	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3926	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR3926	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3926	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3926	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR3926	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3926	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3926	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3926	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3926	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3926	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3926	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3926	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3926	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3926	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3926	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3926	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3926	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3926	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3926	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3926	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3926	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3926	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3926	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3926	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3926	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3926	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3926	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3926	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3926	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR3926	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3926	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3926	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3926	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3926	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3926	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3926	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3926	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3926	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3926	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3926	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3926	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR3926	S=C(NCCCC)NCCCC	C109466
PADEL_KR3926	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3926	N(CCN(C)C)(C)C	C110189
PADEL_KR3926	CCN(CC)CC	C121448
PADEL_KR3926	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3926	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3926	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3926	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3926	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR3926	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR3926	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3926	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR3926	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR3926	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3926	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3926	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR3926	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3926	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3926	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3926	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3926	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3926	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3926	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR3926	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR3926	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3926	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3926	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3926	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3926	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3926	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3926	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3926	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR3926	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3926	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3926	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3926	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR3926	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR3926	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3926	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3926	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR3926	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3926	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3926	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3926	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR3926	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3926	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3926	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3926	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3926	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3926	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3926	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3926	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3926	O=CN1CCCCC1	C2591868
PADEL_KR3926	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR3926	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR3926	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3926	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3926	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR3926	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3926	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3926	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3926	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3926	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3926	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3926	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3926	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3926	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3926	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR3926	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3926	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3926	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3926	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3926	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3926	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3927	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3927	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3927	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3928	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3928	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3928	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3928	CN(C)C(=O)C	C127195
PADEL_KR3928	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3928	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3928	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3928	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3928	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3928	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3928	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3928	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3928	O=C1NCCC1	C616455
PADEL_KR3928	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3928	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3928	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3928	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3928	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3928	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3928	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3928	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3928	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3928	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3928	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3928	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3928	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3928	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3928	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3928	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3928	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3928	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3928	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3928	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3928	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3928	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3928	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3928	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3928	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3928	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3928	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3928	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3928	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3928	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3928	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3928	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3928	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3928	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3928	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3928	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3928	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3928	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3928	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3928	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3928	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3928	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3928	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3928	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3928	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3928	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3928	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3928	O=C1CCCCCN1	C105602
PADEL_KR3928	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3928	O=C1N(CCC1)C	C872504
PADEL_KR3928	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3928	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3928	O=C1N(C=C)CCC1	C88120
PADEL_KR3928	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3928	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3928	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3928	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3928	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3928	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3928	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3928	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3928	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3928	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3928	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3928	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3928	O=C(C)NC	C79163
PADEL_KR3928	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3928	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3928	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3928	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3928	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3928	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3928	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3928	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3928	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3928	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3928	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3928	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3928	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3928	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3928	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3928	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3928	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3928	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3928	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3928	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3928	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3928	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3928	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3928	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3928	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3928	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3928	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3928	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3928	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3928	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3928	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3928	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3928	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3928	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3928	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3928	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3928	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3928	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3930	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3931	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3931	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3931	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3931	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3931	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3931	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3931	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3931	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3931	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3931	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3931	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3932	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3932	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3932	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3932	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3932	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3932	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3932	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3932	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3932	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3932	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3932	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3933	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3933	CN(C(=O)N)N=O	C684935
PADEL_KR3933	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3933	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3933	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3933	OCNC(=O)NCO	C140954
PADEL_KR3933	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3933	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3933	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3933	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3933	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3933	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3933	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3933	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3933	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3933	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3933	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3933	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3933	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3933	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3933	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3933	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3933	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3933	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3933	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3933	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3933	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3933	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3933	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3933	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3933	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3933	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3933	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3933	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3933	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3933	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3933	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3933	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3933	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3933	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3933	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3933	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3933	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3933	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3933	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3933	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3933	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3933	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3933	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3933	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3933	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3933	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3933	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3933	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3934	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3934	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3934	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3934	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3934	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3934	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3934	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3934	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3934	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3934	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3934	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3934	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3934	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3934	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3934	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3934	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3934	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3934	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3934	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3934	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3934	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3934	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3934	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3934	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3934	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3934	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3934	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3934	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3934	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3934	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3934	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3935	S=C(NCC)NCC	C105555
PADEL_KR3935	S=C(NC)NC	C534134
PADEL_KR3935	S=C1NCCN1	C96457
PADEL_KR3935	S=C(NCCCC)NCCCC	C109466
PADEL_KR3935	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3936	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3936	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3936	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3936	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3936	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3936	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3936	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3936	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3936	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3936	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3936	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3936	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3936	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3936	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3936	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3936	CCC12N(COC1)COC2	C7747355
PADEL_KR3936	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3936	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3936	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3936	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3936	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3936	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3936	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3936	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3936	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3936	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3936	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3937	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3937	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3937	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3937	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3937	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3937	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3937	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR3937	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3937	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3937	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3937	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3937	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3937	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3937	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3937	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3937	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3937	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3937	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3937	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3937	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3937	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3937	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3937	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3937	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3937	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3937	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3937	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3937	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3937	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3937	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3937	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3937	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3937	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3937	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3937	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3937	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3937	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3937	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR3937	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3937	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3937	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3937	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3937	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3937	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3937	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3937	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3937	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3937	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3937	CCC12N(COC1)COC2	C7747355
PADEL_KR3937	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3937	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3937	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3937	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3937	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3937	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3937	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3937	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3937	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3937	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3937	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3937	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3937	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3937	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3937	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3937	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3937	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3937	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3937	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3937	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3937	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3937	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3937	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3937	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3937	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3937	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3937	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3937	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3937	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3937	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3937	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3937	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3937	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3937	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3937	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3937	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3937	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3937	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3937	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3937	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3937	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3937	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3937	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3937	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3937	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3937	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3937	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3937	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3937	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR3937	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3937	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3937	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3937	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3937	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR3937	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3937	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3937	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3937	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3937	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3937	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3937	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3937	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3937	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3937	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3938	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3938	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3938	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3938	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3938	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3938	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3938	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3938	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3938	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3938	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3939	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3940	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR3940	O=C1N(C=C)CCC1	C88120
PADEL_KR3940	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3940	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3942	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3942	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3942	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3942	CN(C)C(=O)C	C127195
PADEL_KR3942	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR3942	CN(C(=O)N)N=O	C684935
PADEL_KR3942	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR3942	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3942	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3942	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR3942	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3942	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3942	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3942	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR3942	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3942	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3942	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3942	OCNC(=O)NCO	C140954
PADEL_KR3942	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3942	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR3942	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR3942	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR3942	O=C1NCCC1	C616455
PADEL_KR3942	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR3942	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR3942	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR3942	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR3942	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR3942	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3942	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3942	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3942	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR3942	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3942	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3942	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3942	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR3942	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3942	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3942	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3942	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3942	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3942	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3942	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR3942	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3942	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3942	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3942	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3942	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3942	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3942	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR3942	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3942	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3942	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR3942	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR3942	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3942	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR3942	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3942	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3942	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3942	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3942	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR3942	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3942	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR3942	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3942	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3942	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3942	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3942	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3942	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3942	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3942	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR3942	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR3942	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3942	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3942	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3942	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR3942	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3942	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3942	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3942	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR3942	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR3942	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR3942	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3942	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR3942	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3942	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3942	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3942	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR3942	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3942	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3942	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3942	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3942	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3942	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3942	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3942	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR3942	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3942	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3942	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR3942	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3942	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3942	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3942	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3942	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR3942	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3942	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3942	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3942	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3942	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3942	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3942	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3942	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3942	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3942	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3942	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3942	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3942	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3942	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3942	O=C1CCCCCN1	C105602
PADEL_KR3942	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3942	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3942	O=C(N(C)C)Cl	C79447
PADEL_KR3942	CN(C=O)C	C68122
PADEL_KR3942	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3942	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3942	O=C1N(CCC1)C	C872504
PADEL_KR3942	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3942	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3942	O=C1N(C=C)CCC1	C88120
PADEL_KR3942	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3942	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3942	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3942	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3942	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3942	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3942	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3942	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR3942	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3942	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3942	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR3942	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3942	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3942	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3942	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3942	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR3942	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR3942	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR3942	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3942	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3942	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3942	O=C(C)NC	C79163
PADEL_KR3942	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR3942	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3942	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3942	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3942	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3942	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3942	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3942	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3942	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3942	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3942	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3942	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR3942	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3942	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3942	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR3942	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3942	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3942	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3942	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3942	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3942	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3942	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3942	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3942	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3942	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3942	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3942	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR3942	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3942	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3942	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3942	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR3942	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3942	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3942	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR3942	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3942	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3942	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3942	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3942	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3942	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR3942	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3942	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3942	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR3942	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR3942	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3942	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3942	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3942	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3942	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3942	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3942	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3942	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR3942	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3942	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3942	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3942	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3942	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3942	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR3942	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3942	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3942	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3942	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3942	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3942	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3942	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3942	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3942	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3942	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3942	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3942	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3942	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3942	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3942	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3942	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3942	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3942	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3942	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3942	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3942	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3942	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3942	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3942	O=CN1CCCCC1	C2591868
PADEL_KR3942	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3942	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR3942	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3942	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR3942	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3942	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3943	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR3943	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR3943	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR3943	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3943	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3943	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3943	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3943	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3943	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR3943	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3943	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR3943	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3943	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3943	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR3943	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR3943	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR3943	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3943	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3943	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3943	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3943	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3943	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR3943	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3943	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3943	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3943	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3943	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3943	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3943	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR3943	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3943	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR3943	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR3943	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR3943	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3943	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR3943	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR3943	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR3943	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR3943	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3943	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3943	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3943	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR3943	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR3943	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR3943	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3943	O=C(N)Nc1ccccc1	C64108
PADEL_KR3943	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3943	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR3943	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR3943	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3943	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR3943	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR3943	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3943	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR3943	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR3943	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3943	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3943	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3943	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR3943	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3943	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3943	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3943	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3943	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR3943	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR3943	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3943	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR3943	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR3943	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR3943	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3943	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR3943	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3943	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3943	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3943	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3943	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR3943	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3943	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR3943	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR3943	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR3943	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3943	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR3943	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3943	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR3943	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR3943	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR3943	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR3943	CN(c1ccccc1)C	C121697
PADEL_KR3943	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3943	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR3943	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3943	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3943	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR3943	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR3943	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3943	CCN(CC)c1ccccc1	C91667
PADEL_KR3943	CN(C)c1ccc(C)cc1	C99978
PADEL_KR3943	CCNc1cc(C)ccc1	C102272
PADEL_KR3943	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3943	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3943	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR3943	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR3943	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR3943	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR3943	N(c1ccccc1)CC	C103695
PADEL_KR3943	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR3943	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3943	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR3943	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3943	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR3943	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR3943	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR3943	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3943	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3943	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3943	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR3943	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR3943	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR3943	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3943	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3943	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3943	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3943	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3943	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR3943	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3943	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3943	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3943	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3943	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3943	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR3943	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3943	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3943	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3943	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR3943	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR3943	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3943	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3943	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3943	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3943	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR3943	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3943	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR3943	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3943	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3943	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3943	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR3943	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR3943	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR3943	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR3943	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR3943	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR3943	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3943	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3943	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR3943	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3943	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3943	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR3943	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR3943	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR3943	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR3943	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR3943	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3943	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3943	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR3943	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR3943	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3943	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR3943	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3943	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR3943	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR3943	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR3943	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR3943	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3943	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR3943	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3943	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR3943	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR3943	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR3943	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR3943	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3943	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3943	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3943	CC1COc2ccccc2N1	C32329207
PADEL_KR3943	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR3943	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR3943	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR3943	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3944	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR3944	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3944	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR3944	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR3944	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR3944	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR3944	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3944	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR3944	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR3944	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR3944	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR3944	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR3944	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3944	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR3944	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR3944	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3944	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3944	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3944	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3944	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3944	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3944	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3944	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3944	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3945	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR3945	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3945	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR3945	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3945	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3945	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR3945	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR3945	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3945	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3945	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3945	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR3945	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR3945	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3945	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR3945	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3945	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR3945	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR3945	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR3945	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3945	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR3945	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR3945	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3945	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR3945	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR3945	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3945	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR3945	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3945	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3945	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3945	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3945	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3945	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR3945	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3946	CC(CNCC(C)O)O	C110974
PADEL_KR3946	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3946	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3946	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3946	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3946	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3946	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3946	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3946	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3946	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3946	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3946	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3946	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3946	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3946	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3946	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3946	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3946	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3946	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3946	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3946	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3946	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3946	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3946	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3946	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3946	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3946	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3946	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3946	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3946	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3946	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3946	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3947	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3947	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3947	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3947	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3947	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3947	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3947	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3947	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3948	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3948	CC(CNCC(C)O)O	C110974
PADEL_KR3948	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3948	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3948	CN(CCO)C	C108010
PADEL_KR3948	OCCN1CCNCC1	C103764
PADEL_KR3948	CCNCCO	C110736
PADEL_KR3948	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3948	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3948	C1COCCN1	C110918
PADEL_KR3948	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3948	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3948	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3948	CN1CCOCC1	C109024
PADEL_KR3948	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3948	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3948	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3948	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3948	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3948	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3948	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3948	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3948	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3948	NCCCN1CCOCC1	C123002
PADEL_KR3948	OCCN(CC)CCO	C139877
PADEL_KR3948	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3948	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3948	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3948	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3948	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3948	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3948	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3948	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3948	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3948	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3948	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3948	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3948	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3948	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3948	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3948	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3948	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3948	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3948	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3948	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3948	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3948	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3948	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3948	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3948	OCCN(CCO)CCO	C102716
PADEL_KR3948	CCN(CCO)CC	C100378
PADEL_KR3948	OCCNCCO	C111422
PADEL_KR3948	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3948	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3948	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3948	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3948	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3948	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3948	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3948	CCC12N(COC1)COC2	C7747355
PADEL_KR3948	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3948	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3948	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3948	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3948	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3948	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3948	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3948	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3948	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3948	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3948	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3948	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3948	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3948	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3948	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3948	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3948	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3948	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3948	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3948	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3948	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3948	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3948	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3948	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3948	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3948	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3948	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3948	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3948	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3948	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3948	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3948	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3948	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3948	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3948	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3948	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3948	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3948	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3948	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3948	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3948	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3948	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3948	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3948	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3948	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3948	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3948	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3949	CN(C)N	C57147
PADEL_KR3949	CN(C(=O)N)N=O	C684935
PADEL_KR3949	CN(N=O)C	C62759
PADEL_KR3949	O=NN1CCCC1	C930552
PADEL_KR3949	NNC(=S)NN	C2231574
PADEL_KR3949	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR3949	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3949	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3949	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3949	NNC(=S)NC	C6610293
PADEL_KR3949	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3949	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3949	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3949	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3949	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3949	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3949	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3949	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR3949	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR3949	O=C(c1ccncc1)NN	C54853
PADEL_KR3949	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3949	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3949	O=NN(CCCC)CCCC	C924163
PADEL_KR3949	CCN(CC)N=O	C55185
PADEL_KR3949	O=NN(CCC)CCC	C621647
PADEL_KR3949	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3949	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3949	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR3949	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3949	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3950	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3950	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR3950	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR3950	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR3950	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR3950	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3950	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR3950	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR3950	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3950	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR3953	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3955	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR3955	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3955	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR3955	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3955	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR3955	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3955	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR3955	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3955	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR3955	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3955	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR3955	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3955	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3955	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3955	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR3955	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR3955	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR3955	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR3955	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR3955	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3955	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3955	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3955	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3955	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3955	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3955	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR3955	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3955	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3955	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3955	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3955	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR3955	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR3955	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3955	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3955	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3955	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3955	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3955	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3955	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3955	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3955	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3955	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3955	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3955	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3955	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3955	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3955	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR3955	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR3955	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3955	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR3955	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR3955	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR3955	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR3956	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3956	C=CCO	C107186
PADEL_KR3956	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR3956	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3956	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3956	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR3956	CC(=O)OCc1ccccc1	C140114
PADEL_KR3956	CC(CNCC(C)O)O	C110974
PADEL_KR3956	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3956	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3956	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR3956	ClCOC	C107302
PADEL_KR3956	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR3956	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3956	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR3956	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3956	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3956	CN(CCO)C	C108010
PADEL_KR3956	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR3956	C=CCc1ccc(cc1)OC	C140670
PADEL_KR3956	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR3956	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3956	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3956	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3956	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR3956	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3956	OC(CO)CCl	C96242
PADEL_KR3956	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3956	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR3956	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR3956	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR3956	COc1ccc(cc1)O	C150765
PADEL_KR3956	NC(=O)OC	C598550
PADEL_KR3956	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3956	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR3956	OC(=O)c1cccnc1	C59676
PADEL_KR3956	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR3956	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3956	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3956	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR3956	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3956	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3956	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3956	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3956	O=P(OC)(OC)OC	C512561
PADEL_KR3956	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR3956	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3956	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR3956	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR3956	OCCOCCOCCOCCCC	C143226
PADEL_KR3956	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR3956	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR3956	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR3956	OC(=O)CCCC	C109524
PADEL_KR3956	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR3956	OCCC	C71238
PADEL_KR3956	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3956	OC(C)CN	C78966
PADEL_KR3956	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR3956	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3956	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3956	OCCN1CCNCC1	C103764
PADEL_KR3956	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3956	CC(O)CC(C)(C)O	C107415
PADEL_KR3956	C1CCCCC1O	C108930
PADEL_KR3956	C(O)C#CCO	C110656
PADEL_KR3956	CCNCCO	C110736
PADEL_KR3956	CCCCCCO	C111273
PADEL_KR3956	CCCCCCCO	C111706
PADEL_KR3956	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR3956	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR3956	CCCCCC(=O)OCC	C123660
PADEL_KR3956	CCCCCCCCCO	C143088
PADEL_KR3956	COc1ccc(OC)cc1	C150787
PADEL_KR3956	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR3956	O=C(OC(C)(C)C)C	C540885
PADEL_KR3956	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3956	C=CC(=O)OCCO	C818611
PADEL_KR3956	CC/C=C\CCO	C928961
PADEL_KR3956	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR3956	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR3956	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR3956	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3956	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR3956	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR3956	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR3956	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR3956	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR3956	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR3956	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR3956	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3956	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR3956	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR3956	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR3956	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR3956	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3956	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3956	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR3956	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3956	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR3956	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR3956	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR3956	c1cccc(OC)c1O	C90051
PADEL_KR3956	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR3956	C(=O)(O)C(C)O	C50215
PADEL_KR3956	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3956	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR3956	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR3956	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR3956	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR3956	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR3956	C(=O)(O)CCC(=O)O	C110156
PADEL_KR3956	NC(CO)(CO)CO	C77861
PADEL_KR3956	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3956	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR3956	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR3956	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3956	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3956	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR3956	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR3956	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR3956	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3956	CC(O)COC	C107982
PADEL_KR3956	[Na+].[O-]C(=O)CF	C62748
PADEL_KR3956	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR3956	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3956	OCCCCO	C110634
PADEL_KR3956	O=C(OCCCC)C=C	C141322
PADEL_KR3956	C(OCCCC)C1CO1	C2426086
PADEL_KR3956	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR3956	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR3956	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3956	OCNC(=O)NCO	C140954
PADEL_KR3956	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3956	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3956	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR3956	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3956	OCC(C(O)CCC)CC	C94962
PADEL_KR3956	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3956	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR3956	c1c(CO)occ1	C98000
PADEL_KR3956	C(=O)(O)CO	C79141
PADEL_KR3956	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3956	C(C)(C)(O)C#N	C75865
PADEL_KR3956	O(C(C)C)C(=O)C	C108214
PADEL_KR3956	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR3956	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR3956	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR3956	C1COCCN1	C110918
PADEL_KR3956	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR3956	C(=O)(O)C(=O)O	C144627
PADEL_KR3956	O(c1ccc(N)cc1)CC	C156434
PADEL_KR3956	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3956	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR3956	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR3956	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3956	O=C(O)CS	C68111
PADEL_KR3956	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR3956	O=P(OCC)(OCC)OCC	C78400
PADEL_KR3956	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3956	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3956	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR3956	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR3956	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR3956	OCCc1ccccc1	C60128
PADEL_KR3956	O=C(O)c1ccccc1O	C69727
PADEL_KR3956	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3956	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3956	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3956	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR3956	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR3956	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3956	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3956	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR3956	O=C1OCC(C)O1	C108327
PADEL_KR3956	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3956	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3956	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3956	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR3956	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3956	O=C(C)OCCOCCCC	C112072
PADEL_KR3956	OCCOCCOCCOC	C112356
PADEL_KR3956	OCCOCCOCCOCCO	C112607
PADEL_KR3956	OCC(CO)(CO)CO	C115775
PADEL_KR3956	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3956	O=Cc1ccc(OC)cc1	C123115
PADEL_KR3956	OC(CCCCCC)C	C123966
PADEL_KR3956	OCC(N)(C)C	C124685
PADEL_KR3956	OCC(C)(C)CO	C126307
PADEL_KR3956	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR3956	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3956	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR3956	O=COC(C)C	C625558
PADEL_KR3956	OC(C)COc1ccccc1	C770354
PADEL_KR3956	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR3956	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR3956	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR3956	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3956	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3956	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3956	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR3956	OC1CCCCCCCCCCC1	C1724396
PADEL_KR3956	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR3956	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3956	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3956	OCCOCCC	C2807309
PADEL_KR3956	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR3956	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR3956	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3956	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3956	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3956	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR3956	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR3956	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3956	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3956	CC(CO)O	C25322694
PADEL_KR3956	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3956	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR3956	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3956	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR3956	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR3956	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3956	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3956	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR3956	OCC1OCCC1	C97994
PADEL_KR3956	CN1CCOCC1	C109024
PADEL_KR3956	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR3956	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR3956	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3956	OC(C)COCCC	C1569013
PADEL_KR3956	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR3956	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3956	OCC(CCC)CCCCC	C10042598
PADEL_KR3956	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3956	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3956	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3956	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR3956	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3956	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR3956	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3956	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR3956	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR3956	OC(OCCCC)CC	C29387868
PADEL_KR3956	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3956	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR3956	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3956	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR3956	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR3956	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3956	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3956	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR3956	OCn1nc(C)cc1C	C85264331
PADEL_KR3956	OCCSCCCCCCCC	C3547339
PADEL_KR3956	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3956	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3956	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3956	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3956	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3956	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3956	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR3956	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR3956	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR3956	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3956	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR3956	OC1CCCC1	C96413
PADEL_KR3956	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR3956	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR3956	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR3956	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3956	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR3956	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR3956	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3956	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR3956	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR3956	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR3956	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR3956	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR3956	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR3956	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR3956	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3956	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3956	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3956	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3956	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3956	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3956	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR3956	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR3956	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR3956	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR3956	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3956	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR3956	OC(CCCCC)C=C	C3391864
PADEL_KR3956	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR3956	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR3956	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3956	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3956	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR3956	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR3956	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR3956	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR3956	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR3956	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3956	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3956	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR3956	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR3956	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR3956	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR3956	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR3956	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR3956	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR3956	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR3956	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR3956	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR3956	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3956	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3956	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR3956	O=C(CC)OCC	C105373
PADEL_KR3956	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR3956	O=C1OCC(CC)O1	C4437858
PADEL_KR3956	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3956	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3956	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3956	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3956	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3956	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3956	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR3956	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3956	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR3956	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR3956	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3956	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR3956	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR3956	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR3956	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3956	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR3956	CC(O)COCC	C1569024
PADEL_KR3956	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3956	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR3956	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3956	O=C1CCC(O1)CC	C695067
PADEL_KR3956	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3956	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3956	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3956	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3956	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR3956	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR3956	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR3956	O1C=CCCC1	C110872
PADEL_KR3956	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3956	OC(CC(C)C)(C)C#C	C107540
PADEL_KR3956	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3956	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3956	OCC=Cc1ccccc1	C104541
PADEL_KR3956	NCCCN1CCOCC1	C123002
PADEL_KR3956	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR3956	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR3956	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR3956	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR3956	O=C(CCC)OCCCCC	C540181
PADEL_KR3956	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR3956	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3956	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3956	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3956	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3956	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3956	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR3956	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR3956	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR3956	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3956	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR3956	OP(OCC)OCC	C762049
PADEL_KR3956	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3956	OCCOCC(CC)CCCC	C1559359
PADEL_KR3956	OCCN(CC)CCO	C139877
PADEL_KR3956	CCOC(OCC)OCC	C122510
PADEL_KR3956	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR3956	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR3956	O=C(CF)O	C144490
PADEL_KR3956	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3956	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3956	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR3956	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3956	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR3956	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3956	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR3956	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR3956	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR3956	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR3956	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR3956	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3956	OC(C)C(=O)OCCCC	C138227
PADEL_KR3956	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR3956	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3956	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR3956	Oc1c(OCC)cccc1	C94713
PADEL_KR3956	COc1ccc(CCC)cc1	C104450
PADEL_KR3956	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3956	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR3956	CO[Si](C)(C)OC	C1112396
PADEL_KR3956	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR3956	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR3956	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR3956	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR3956	OC(CO)c1ccccc1	C93561
PADEL_KR3956	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR3956	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR3956	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3956	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR3956	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR3956	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR3956	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3956	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3956	O=C(C)OCCCCCCCC	C112141
PADEL_KR3956	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR3956	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3956	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3956	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR3956	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR3956	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3956	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3956	OCC(CCCC)CCCCCC	C3913028
PADEL_KR3956	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR3956	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3956	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3956	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR3956	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR3956	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3956	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR3956	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR3956	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR3956	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3956	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR3956	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3956	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3956	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3956	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3956	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR3956	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR3956	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3956	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3956	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3956	OCCOCC(C)OCCO	C9003116
PADEL_KR3956	O=C1OC(CCC)CC1	C105215
PADEL_KR3956	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3956	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3956	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR3956	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3956	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3956	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3956	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR3956	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3956	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3956	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3956	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR3956	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR3956	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR3956	OC1CCC(CCCC)CC1	C70568604
PADEL_KR3956	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR3956	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR3956	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3956	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR3956	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR3956	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3956	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR3956	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR3956	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR3956	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR3956	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3956	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3956	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR3956	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR3956	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR3956	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR3956	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3956	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR3956	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3956	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3956	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3956	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR3956	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR3956	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR3956	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR3956	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR3956	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3956	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3956	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR3956	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR3956	c1ccccc1OCCO	C122996
PADEL_KR3956	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR3956	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3956	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3956	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR3956	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3956	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR3956	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3956	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR3956	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR3956	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR3956	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3956	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3956	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3956	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3956	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR3956	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3956	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR3956	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3956	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3956	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3956	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR3956	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3956	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR3956	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR3956	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR3956	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3956	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR3956	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3956	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3956	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3956	NP(=O)(OC)SC	C10265926
PADEL_KR3956	OCCOC	C109864
PADEL_KR3956	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR3956	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR3956	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR3956	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3956	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR3956	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR3956	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR3956	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR3956	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3956	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR3956	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3956	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR3956	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR3956	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3956	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR3956	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3956	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3956	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR3956	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR3956	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3956	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR3956	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR3956	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR3956	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3956	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR3956	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR3956	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3956	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3956	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR3956	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3956	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3956	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR3956	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR3956	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR3956	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3956	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR3956	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3956	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR3956	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR3956	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3956	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3956	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3956	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3956	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3956	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR3956	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3956	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR3956	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3956	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR3956	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3956	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR3956	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3956	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3956	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR3956	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3956	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR3956	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR3956	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3956	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR3956	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR3956	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR3956	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3956	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR3956	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR3956	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3956	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR3956	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3956	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR3956	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3956	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3956	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3956	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3956	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR3956	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3956	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR3956	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR3956	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3956	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3956	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3956	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3956	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3956	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR3956	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3956	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3956	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3956	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3956	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3956	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3956	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3956	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3956	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR3956	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR3956	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3956	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR3956	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3956	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR3956	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3956	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3956	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR3956	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR3956	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR3956	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3956	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3956	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3956	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3956	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3956	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR3956	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3956	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3956	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR3956	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3956	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3956	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR3956	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR3956	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR3956	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3956	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR3956	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3956	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR3956	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR3956	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR3956	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3956	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR3956	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3956	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR3956	OC(=O)c1ccccc1	C65850
PADEL_KR3956	OCc1ccccc1	C100516
PADEL_KR3956	OCC(CO)(CBr)CBr	C3296900
PADEL_KR3956	ClCCOCCCl	C111444
PADEL_KR3956	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3956	O=C1CCCO1	C96480
PADEL_KR3956	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR3956	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR3956	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR3956	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR3956	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3956	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR3956	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3956	Nc1cc(ccc1OC)C	C120718
PADEL_KR3956	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3956	OC(=O)C(Cl)Cl	C79436
PADEL_KR3956	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3956	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR3956	OCCOCCO	C111466
PADEL_KR3956	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3956	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR3956	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3956	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3956	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3956	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3956	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR3956	C(CO)O	C107211
PADEL_KR3956	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3956	CCC(CCCC)CO	C104767
PADEL_KR3956	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3956	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR3956	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR3956	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3956	OCC(O)CO	C56815
PADEL_KR3956	OCC1CO1	C556525
PADEL_KR3956	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR3956	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3956	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR3956	CS(=O)(=O)OC	C66273
PADEL_KR3956	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR3956	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR3956	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR3956	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR3956	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR3956	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR3956	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR3956	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3956	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR3956	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR3956	O=S1(=O)CCCO1	C1120714
PADEL_KR3956	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3956	CC(CO)O	C57556
PADEL_KR3956	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3956	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR3956	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3956	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR3956	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR3956	OC(=O)C=CC=CC	C110441
PADEL_KR3956	C1C(c2ccccc2)O1	C96093
PADEL_KR3956	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3956	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR3956	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR3956	OCCN(CCO)CCO	C102716
PADEL_KR3956	OCCOCCOCCO	C112276
PADEL_KR3956	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR3956	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR3956	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR3956	NC(=O)OCC	C51796
PADEL_KR3956	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR3956	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR3956	OC(=O)CCC	C107926
PADEL_KR3956	CCCCOCCOCCO	C112345
PADEL_KR3956	CCCCCCCCCC(=O)O	C334485
PADEL_KR3956	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR3956	O=C(O)CCCCCC	C111148
PADEL_KR3956	OC(=O)CCCCC(=O)O	C124049
PADEL_KR3956	CCCCCC(=O)O	C142621
PADEL_KR3956	CCCCCCCCC(=O)O	C112050
PADEL_KR3956	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR3956	CCCCCCCC(=O)O	C124072
PADEL_KR3956	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3956	CCN(CCO)CC	C100378
PADEL_KR3956	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3956	ClCCO	C107073
PADEL_KR3956	CC(=O)OCCOCC	C111159
PADEL_KR3956	OCCNCCO	C111422
PADEL_KR3956	CCCCCCCCO	C111875
PADEL_KR3956	CCOCCOCCO	C111900
PADEL_KR3956	CCCCCCCCCCO	C112301
PADEL_KR3956	CCCCCCCCCCCCCO	C112709
PADEL_KR3956	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3956	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR3956	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR3956	OCCN	C141435
PADEL_KR3956	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR3956	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR3956	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR3956	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3956	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3956	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR3956	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR3956	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3956	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3956	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3956	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3956	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3956	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR3956	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR3956	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR3956	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3956	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR3956	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR3956	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR3956	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR3956	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR3956	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3956	Nc1c(OC)cccc1	C90040
PADEL_KR3956	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR3956	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3956	O=S(=O)(OCC)OCC	C64675
PADEL_KR3956	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR3956	O=S(=O)(OC)OC	C77781
PADEL_KR3956	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3956	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR3956	CCOCCO	C110805
PADEL_KR3956	CCCCOCCO	C111762
PADEL_KR3956	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3956	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR3956	OCCOCCOCCOCC	C112505
PADEL_KR3956	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR3956	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR3956	O(CCOC)CCOC	C111966
PADEL_KR3956	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR3956	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR3956	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3956	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3956	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR3956	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR3956	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3956	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR3956	OC(CCl)CCl	C96231
PADEL_KR3956	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR3956	O(CCOC)CCO	C111773
PADEL_KR3956	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3956	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR3956	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3956	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR3956	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3956	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3956	O=C(O)C(CCCC)CC	C149575
PADEL_KR3956	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3956	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR3956	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR3956	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR3956	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR3956	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3956	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR3956	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3956	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3956	C(OCCOC)COCCOC	C112492
PADEL_KR3956	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR3956	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3956	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3956	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3956	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR3956	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3956	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3956	OCCC(C)CCC=C(C)C	C106229
PADEL_KR3956	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR3956	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR3956	OCCC(O)C	C107880
PADEL_KR3956	OC(CC(C)C)C	C108112
PADEL_KR3956	O=C(OC)CCCCCCC	C111115
PADEL_KR3956	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3956	OCCOCCCCCC	C112254
PADEL_KR3956	OCCCCCCCCCCC	C112425
PADEL_KR3956	OCCCCCCCCCCCC	C112538
PADEL_KR3956	OCCCCCCCCCCCCCC	C112721
PADEL_KR3956	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3956	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR3956	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR3956	O=C(C)OCCCCC	C628637
PADEL_KR3956	OCCCCCCCCCCCCCCC	C629765
PADEL_KR3956	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3956	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR3956	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3956	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3956	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR3956	OC(OC(O)CC)CC	C25265718
PADEL_KR3956	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3956	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3956	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR3956	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3956	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3956	OC(OCCCOC)CC	C34590948
PADEL_KR3956	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR3956	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3956	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3956	O=C(OC)CC(=O)OC	C108598
PADEL_KR3956	CCC12N(COC1)COC2	C7747355
PADEL_KR3956	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3956	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3956	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3956	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR3956	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3956	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3956	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR3956	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR3956	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR3956	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR3956	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR3956	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3956	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR3956	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR3956	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3956	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR3956	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR3956	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR3956	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3956	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR3956	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR3956	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR3956	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR3956	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR3956	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR3956	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3956	O=C(CCC)OCC	C105544
PADEL_KR3956	O=C(OCC)CCCCCC	C106309
PADEL_KR3956	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3956	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3956	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3956	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR3956	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR3956	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3956	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3956	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3956	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR3956	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR3956	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3956	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3956	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR3956	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR3956	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR3956	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR3956	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3956	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR3956	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3956	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR3956	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR3956	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR3956	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR3956	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3956	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3956	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR3956	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3956	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR3956	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR3956	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3956	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR3956	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR3956	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3956	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR3956	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR3956	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3956	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR3956	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR3956	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR3956	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3956	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3956	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3956	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR3956	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR3956	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3956	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR3956	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR3956	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR3956	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3956	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR3956	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR3956	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR3956	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR3956	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR3956	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR3956	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR3956	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR3956	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3956	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR3956	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR3956	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR3956	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR3956	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR3956	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR3956	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR3956	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR3956	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3956	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3956	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR3956	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR3956	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3956	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR3956	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR3956	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3956	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3956	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR3956	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3956	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR3956	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3956	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3956	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR3956	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3956	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3956	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3956	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR3956	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR3956	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3956	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3956	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR3956	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR3956	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3956	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3956	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3956	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3956	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3956	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3956	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3956	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3956	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3956	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3956	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3956	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3956	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3956	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3956	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3956	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR3956	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3956	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR3956	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR3956	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR3956	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR3956	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR3956	OCCCBr	C627189
PADEL_KR3956	C(=O)(C)O	C64197
PADEL_KR3956	C(CO)C(C)C	C123513
PADEL_KR3956	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR3956	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR3956	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR3956	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR3956	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR3956	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3956	NCCOCCOCCN	C929599
PADEL_KR3956	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR3956	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3956	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR3956	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR3956	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3956	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3956	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR3956	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3956	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR3956	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR3956	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR3956	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3956	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3956	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3956	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR3956	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3956	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3956	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3956	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3956	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR3956	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3956	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR3956	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3956	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3956	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR3956	OCCC(OC)C	C2517433
PADEL_KR3956	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3956	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3956	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3956	O=COCC	C109944
PADEL_KR3956	O=C(OCC)c1ccccc1	C93890
PADEL_KR3956	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR3956	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3956	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR3956	CC(=O)OCC	C141786
PADEL_KR3956	CC(=O)OCCCC	C123864
PADEL_KR3956	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR3956	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3956	CCC1CO1	C106887
PADEL_KR3956	CC1CC(=O)O1	C3068880
PADEL_KR3956	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3956	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR3956	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3956	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3956	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR3956	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR3956	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR3956	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR3956	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR3956	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR3956	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR3956	CC(=O)C(=O)O	C127173
PADEL_KR3956	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3956	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR3956	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR3956	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3956	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR3956	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3956	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR3956	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3956	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR3956	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3956	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR3956	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3956	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR3956	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR3956	Nc1ccc(OC)cc1	C104949
PADEL_KR3956	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR3956	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3956	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR3956	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR3956	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR3956	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3956	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3956	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR3956	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR3956	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR3956	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3956	OCC=C(C)C	C556821
PADEL_KR3956	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR3956	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3956	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR3956	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3956	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3956	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3956	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR3956	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR3956	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3956	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR3956	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR3956	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR3956	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3956	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3956	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR3956	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3956	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3956	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR3956	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR3956	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR3956	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR3956	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3956	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR3956	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3956	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR3956	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3956	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3956	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR3956	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR3956	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3956	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3956	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR3956	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR3956	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3956	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR3956	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3956	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR3956	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR3956	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3956	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR3956	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3956	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3956	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR3956	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR3956	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3956	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3956	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3956	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR3956	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3956	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3956	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR3956	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR3956	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3956	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR3956	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR3956	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR3956	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR3956	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR3956	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3956	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR3956	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3956	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR3956	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3956	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR3956	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3956	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3956	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3956	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3956	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR3956	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR3956	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3956	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3956	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3956	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3956	O=C(OCCCCO)C=C	C2478106
PADEL_KR3956	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3956	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR3956	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3956	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR3956	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR3956	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3956	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3956	NCCCOCCCCCCCC	C15930662
PADEL_KR3956	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3956	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR3956	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3956	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR3956	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3956	CC1COc2ccccc2N1	C32329207
PADEL_KR3956	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3956	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR3956	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3956	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR3956	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR3956	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3956	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR3956	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3956	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR3956	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3956	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR3956	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR3956	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3956	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR3956	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3956	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3956	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR3956	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3956	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR3956	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3956	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR3956	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR3956	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3956	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR3956	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3956	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR3956	O=COCc1ccc(OC)cc1	C122918
PADEL_KR3956	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR3956	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR3957	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3957	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3957	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3957	CC(=O)OCc1ccccc1	C140114
PADEL_KR3957	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR3957	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3957	ClCOC	C107302
PADEL_KR3957	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3957	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3957	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3957	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3957	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR3957	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3957	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3957	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3957	NC(=O)OC	C598550
PADEL_KR3957	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3957	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3957	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3957	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3957	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3957	OCCOCCOCCOCCCC	C143226
PADEL_KR3957	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR3957	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3957	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3957	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3957	CCCCCC(=O)OCC	C123660
PADEL_KR3957	O=C(OC(C)(C)C)C	C540885
PADEL_KR3957	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3957	C=CC(=O)OCCO	C818611
PADEL_KR3957	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3957	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3957	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3957	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR3957	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3957	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR3957	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR3957	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3957	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3957	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3957	CC(O)COC	C107982
PADEL_KR3957	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR3957	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR3957	O=C(OCCCC)C=C	C141322
PADEL_KR3957	C(OCCCC)C1CO1	C2426086
PADEL_KR3957	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3957	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3957	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR3957	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3957	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3957	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3957	O(C(C)C)C(=O)C	C108214
PADEL_KR3957	C1COCCN1	C110918
PADEL_KR3957	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3957	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3957	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3957	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3957	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3957	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3957	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3957	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3957	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR3957	O=C1OCC(C)O1	C108327
PADEL_KR3957	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3957	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3957	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3957	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3957	O=C(C)OCCOCCCC	C112072
PADEL_KR3957	OCCOCCOCCOC	C112356
PADEL_KR3957	OCCOCCOCCOCCO	C112607
PADEL_KR3957	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3957	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3957	O=COC(C)C	C625558
PADEL_KR3957	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR3957	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3957	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3957	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR3957	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3957	OCCOCCC	C2807309
PADEL_KR3957	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3957	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3957	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3957	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3957	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR3957	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3957	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3957	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3957	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR3957	OCC1OCCC1	C97994
PADEL_KR3957	CN1CCOCC1	C109024
PADEL_KR3957	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR3957	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3957	OC(C)COCCC	C1569013
PADEL_KR3957	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR3957	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3957	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3957	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3957	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3957	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3957	OC(OCCCC)CC	C29387868
PADEL_KR3957	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3957	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3957	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3957	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR3957	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR3957	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR3957	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3957	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3957	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3957	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3957	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3957	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3957	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3957	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3957	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3957	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR3957	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3957	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3957	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR3957	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3957	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR3957	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3957	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3957	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR3957	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3957	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3957	O=C(CC)OCC	C105373
PADEL_KR3957	O=C1OCC(CC)O1	C4437858
PADEL_KR3957	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3957	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3957	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR3957	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3957	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR3957	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3957	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3957	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR3957	CC(O)COCC	C1569024
PADEL_KR3957	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3957	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3957	O=C1CCC(O1)CC	C695067
PADEL_KR3957	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3957	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3957	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3957	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3957	O1C=CCCC1	C110872
PADEL_KR3957	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3957	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3957	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3957	NCCCN1CCOCC1	C123002
PADEL_KR3957	O=C(CCC)OCCCCC	C540181
PADEL_KR3957	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3957	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3957	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3957	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3957	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3957	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3957	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3957	OCCOCC(CC)CCCC	C1559359
PADEL_KR3957	CCOC(OCC)OCC	C122510
PADEL_KR3957	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3957	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3957	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3957	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3957	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR3957	OC(C)C(=O)OCCCC	C138227
PADEL_KR3957	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR3957	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3957	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3957	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR3957	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3957	O=C(C)OCCCCCCCC	C112141
PADEL_KR3957	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3957	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR3957	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3957	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3957	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3957	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3957	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3957	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR3957	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR3957	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3957	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3957	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3957	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3957	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3957	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3957	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3957	OCCOCC(C)OCCO	C9003116
PADEL_KR3957	O=C1OC(CCC)CC1	C105215
PADEL_KR3957	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3957	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR3957	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3957	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3957	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3957	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR3957	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3957	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3957	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR3957	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3957	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3957	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3957	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3957	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3957	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3957	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR3957	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3957	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR3957	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3957	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR3957	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR3957	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR3957	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3957	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3957	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3957	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3957	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR3957	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3957	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3957	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR3957	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3957	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3957	OCCOC	C109864
PADEL_KR3957	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR3957	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3957	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3957	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3957	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3957	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR3957	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR3957	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3957	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3957	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3957	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3957	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR3957	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3957	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3957	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3957	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3957	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3957	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3957	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3957	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3957	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3957	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3957	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3957	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3957	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3957	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3957	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3957	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3957	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR3957	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3957	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR3957	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3957	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3957	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR3957	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR3957	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3957	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR3957	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3957	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR3957	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR3957	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3957	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3957	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3957	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR3957	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR3957	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3957	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3957	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR3957	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3957	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3957	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3957	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3957	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3957	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR3957	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR3957	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3957	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3957	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3957	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR3957	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3957	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3957	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR3957	ClCCOCCCl	C111444
PADEL_KR3957	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3957	O=C1CCCO1	C96480
PADEL_KR3957	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3957	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3957	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3957	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR3957	OCCOCCO	C111466
PADEL_KR3957	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3957	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3957	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR3957	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR3957	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3957	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR3957	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3957	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3957	OCC1CO1	C556525
PADEL_KR3957	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3957	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3957	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3957	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3957	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3957	C1C(c2ccccc2)O1	C96093
PADEL_KR3957	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR3957	OCCOCCOCCO	C112276
PADEL_KR3957	NC(=O)OCC	C51796
PADEL_KR3957	CCCCOCCOCCO	C112345
PADEL_KR3957	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3957	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3957	CC(=O)OCCOCC	C111159
PADEL_KR3957	CCOCCOCCO	C111900
PADEL_KR3957	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3957	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3957	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3957	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR3957	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR3957	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR3957	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR3957	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3957	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3957	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3957	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR3957	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3957	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR3957	CCOCCO	C110805
PADEL_KR3957	CCCCOCCO	C111762
PADEL_KR3957	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR3957	OCCOCCOCCOCC	C112505
PADEL_KR3957	O(CCOC)CCOC	C111966
PADEL_KR3957	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3957	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR3957	O(CCOC)CCO	C111773
PADEL_KR3957	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3957	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3957	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3957	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3957	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3957	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR3957	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR3957	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3957	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3957	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3957	C(OCCOC)COCCOC	C112492
PADEL_KR3957	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR3957	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3957	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3957	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3957	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3957	O=C(OC)CCCCCCC	C111115
PADEL_KR3957	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3957	OCCOCCCCCC	C112254
PADEL_KR3957	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3957	O=C(C)OCCCCC	C628637
PADEL_KR3957	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3957	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3957	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3957	OC(OC(O)CC)CC	C25265718
PADEL_KR3957	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3957	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3957	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3957	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3957	OC(OCCCOC)CC	C34590948
PADEL_KR3957	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3957	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3957	O=C(OC)CC(=O)OC	C108598
PADEL_KR3957	CCC12N(COC1)COC2	C7747355
PADEL_KR3957	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR3957	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3957	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR3957	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR3957	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3957	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR3957	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3957	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3957	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3957	O=C(CCC)OCC	C105544
PADEL_KR3957	O=C(OCC)CCCCCC	C106309
PADEL_KR3957	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3957	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3957	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3957	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR3957	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3957	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3957	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3957	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR3957	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR3957	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR3957	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR3957	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR3957	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3957	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR3957	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR3957	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3957	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR3957	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR3957	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR3957	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR3957	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR3957	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR3957	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR3957	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3957	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3957	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3957	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR3957	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR3957	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3957	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3957	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3957	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3957	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3957	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3957	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3957	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3957	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3957	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3957	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3957	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3957	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3957	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3957	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3957	NCCOCCOCCN	C929599
PADEL_KR3957	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3957	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3957	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3957	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3957	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3957	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3957	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3957	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3957	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3957	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3957	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3957	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3957	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3957	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3957	OCCC(OC)C	C2517433
PADEL_KR3957	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3957	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3957	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3957	O=COCC	C109944
PADEL_KR3957	O=C(OCC)c1ccccc1	C93890
PADEL_KR3957	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3957	CC(=O)OCC	C141786
PADEL_KR3957	CC(=O)OCCCC	C123864
PADEL_KR3957	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3957	CCC1CO1	C106887
PADEL_KR3957	CC1CC(=O)O1	C3068880
PADEL_KR3957	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3957	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3957	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3957	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3957	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3957	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR3957	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3957	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3957	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3957	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3957	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3957	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3957	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3957	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3957	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3957	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3957	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3957	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3957	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3957	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3957	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3957	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR3957	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR3957	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR3957	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3957	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3957	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3957	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3957	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3957	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3957	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3957	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3957	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3957	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3957	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3957	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR3957	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3957	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR3957	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3957	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3957	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3957	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3957	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3957	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3957	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3957	O=C(OCCCCO)C=C	C2478106
PADEL_KR3957	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3957	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR3957	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3957	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3957	NCCCOCCCCCCCC	C15930662
PADEL_KR3957	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3957	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR3957	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3957	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3957	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR3957	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3957	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR3957	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3957	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3957	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3957	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR3957	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3957	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR3957	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR3957	O=COCc1ccc(OC)cc1	C122918
PADEL_KR3959	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3959	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3959	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3959	CC(=O)OCc1ccccc1	C140114
PADEL_KR3959	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3959	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3959	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3959	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3959	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3959	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3959	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3959	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3959	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3959	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3959	CCCCCC(=O)OCC	C123660
PADEL_KR3959	O=C(OC(C)(C)C)C	C540885
PADEL_KR3959	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3959	C=CC(=O)OCCO	C818611
PADEL_KR3959	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3959	O=C(OCCCC)C=C	C141322
PADEL_KR3959	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3959	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3959	O(C(C)C)C(=O)C	C108214
PADEL_KR3959	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3959	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3959	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3959	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3959	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3959	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3959	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3959	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3959	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3959	O=C(C)OCCOCCCC	C112072
PADEL_KR3959	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3959	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3959	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3959	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3959	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3959	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3959	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3959	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3959	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3959	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3959	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3959	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3959	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3959	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3959	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3959	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3959	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3959	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3959	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3959	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3959	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3959	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3959	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3959	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3959	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3959	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3959	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3959	O=C(CC)OCC	C105373
PADEL_KR3959	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3959	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3959	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3959	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3959	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3959	O=C1CCC(O1)CC	C695067
PADEL_KR3959	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3959	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3959	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3959	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3959	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3959	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3959	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3959	O=C(CCC)OCCCCC	C540181
PADEL_KR3959	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3959	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3959	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3959	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3959	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3959	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3959	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3959	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3959	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3959	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3959	OC(C)C(=O)OCCCC	C138227
PADEL_KR3959	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3959	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3959	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3959	O=C(C)OCCCCCCCC	C112141
PADEL_KR3959	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3959	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3959	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3959	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3959	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3959	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3959	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3959	O=C1OC(CCC)CC1	C105215
PADEL_KR3959	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3959	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3959	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3959	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3959	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3959	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3959	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3959	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3959	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3959	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3959	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3959	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3959	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3959	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3959	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3959	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3959	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3959	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3959	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3959	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3959	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3959	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3959	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3959	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3959	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3959	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3959	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3959	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3959	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3959	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3959	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3959	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3959	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3959	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3959	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3959	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3959	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3959	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3959	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3959	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3959	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3959	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3959	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3959	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3959	O=C1CCCO1	C96480
PADEL_KR3959	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3959	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3959	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3959	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3959	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3959	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3959	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3959	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3959	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3959	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3959	CC(=O)OCCOCC	C111159
PADEL_KR3959	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3959	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3959	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3959	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3959	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3959	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3959	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3959	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3959	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3959	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3959	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3959	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3959	O=C(OC)CCCCCCC	C111115
PADEL_KR3959	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3959	O=C(C)OCCCCC	C628637
PADEL_KR3959	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3959	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3959	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3959	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3959	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3959	O=C(OC)CC(=O)OC	C108598
PADEL_KR3959	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3959	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3959	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3959	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3959	O=C(CCC)OCC	C105544
PADEL_KR3959	O=C(OCC)CCCCCC	C106309
PADEL_KR3959	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3959	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3959	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3959	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3959	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3959	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3959	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3959	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3959	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3959	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3959	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3959	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3959	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3959	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3959	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3959	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3959	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3959	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3959	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3959	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3959	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3959	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3959	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3959	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3959	CC(=O)OCC	C141786
PADEL_KR3959	CC(=O)OCCCC	C123864
PADEL_KR3959	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3959	CC1CC(=O)O1	C3068880
PADEL_KR3959	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3959	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3959	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3959	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3959	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3959	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3959	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3959	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3959	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3959	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3959	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3959	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3959	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3959	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3959	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3959	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3959	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3959	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3959	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3959	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3959	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3959	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3959	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3959	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3959	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3959	O=C(OCCCCO)C=C	C2478106
PADEL_KR3959	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3959	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3959	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3959	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3959	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3959	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3959	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3959	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3960	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3961	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3961	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3961	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3961	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3964	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3964	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3964	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3964	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3964	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3964	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3964	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3964	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3964	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3964	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3964	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3964	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3965	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3965	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3965	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3966	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3966	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3966	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3966	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3966	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3967	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3967	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3967	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3967	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3967	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3967	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3967	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3967	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3967	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3967	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3967	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3967	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3967	OC(C)C(=O)OCCCC	C138227
PADEL_KR3967	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3967	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3967	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3967	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3967	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3967	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3967	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3967	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3967	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3967	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3967	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3967	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3967	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3967	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3967	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3967	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3967	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3967	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3967	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3967	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3967	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3967	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3967	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3967	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3967	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3967	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3967	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3968	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3968	NC(=O)OC	C598550
PADEL_KR3968	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3968	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3968	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3968	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3968	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR3968	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3968	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3968	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3968	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3968	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3968	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3968	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3968	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3968	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3968	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3968	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3968	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3968	NC(=O)OCC	C51796
PADEL_KR3968	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3968	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3968	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3968	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3968	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3968	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3968	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3968	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3968	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3969	O=C1OCC(C)O1	C108327
PADEL_KR3969	O=C1OCC(CC)O1	C4437858
PADEL_KR3969	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3969	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3969	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3971	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR3971	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR3971	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR3971	CC(=O)OCc1ccccc1	C140114
PADEL_KR3971	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR3971	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR3971	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR3971	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3971	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR3971	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR3971	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR3971	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR3971	NC(=O)OC	C598550
PADEL_KR3971	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR3971	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR3971	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR3971	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR3971	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR3971	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR3971	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR3971	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR3971	CCCCCC(=O)OCC	C123660
PADEL_KR3971	O=C(OC(C)(C)C)C	C540885
PADEL_KR3971	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR3971	C=CC(=O)OCCO	C818611
PADEL_KR3971	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR3971	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR3971	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR3971	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR3971	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR3971	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR3971	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR3971	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR3971	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR3971	O=C(OCCCC)C=C	C141322
PADEL_KR3971	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR3971	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR3971	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR3971	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR3971	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR3971	O(C(C)C)C(=O)C	C108214
PADEL_KR3971	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR3971	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR3971	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR3971	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR3971	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR3971	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR3971	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR3971	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR3971	O=C1OCC(C)O1	C108327
PADEL_KR3971	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR3971	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR3971	O=C(OC)CCCCCCCCC	C110429
PADEL_KR3971	O=C(C)OCCOC(=O)C	C111557
PADEL_KR3971	O=C(C)OCCOCCCC	C112072
PADEL_KR3971	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR3971	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR3971	O=COC(C)C	C625558
PADEL_KR3971	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR3971	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR3971	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR3971	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR3971	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR3971	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR3971	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR3971	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR3971	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR3971	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR3971	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR3971	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR3971	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR3971	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR3971	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR3971	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR3971	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR3971	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR3971	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3971	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR3971	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR3971	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR3971	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR3971	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR3971	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR3971	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR3971	O=C1OC(CCCCC)CC1	C104610
PADEL_KR3971	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR3971	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR3971	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR3971	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR3971	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR3971	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR3971	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR3971	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR3971	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR3971	O=C(CC)OCC	C105373
PADEL_KR3971	O=C1OCC(CC)O1	C4437858
PADEL_KR3971	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR3971	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR3971	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR3971	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR3971	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR3971	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR3971	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR3971	O=C1CCC(O1)CC	C695067
PADEL_KR3971	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR3971	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR3971	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3971	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR3971	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR3971	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR3971	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR3971	O=C(CCC)OCCCCC	C540181
PADEL_KR3971	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR3971	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR3971	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR3971	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR3971	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR3971	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR3971	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR3971	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR3971	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR3971	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR3971	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR3971	OC(C)C(=O)OCCCC	C138227
PADEL_KR3971	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR3971	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR3971	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR3971	O=C(C)OCCCCCCCC	C112141
PADEL_KR3971	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR3971	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR3971	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR3971	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR3971	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR3971	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR3971	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR3971	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR3971	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR3971	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR3971	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR3971	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR3971	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR3971	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR3971	O=C1OC(CCC)CC1	C105215
PADEL_KR3971	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR3971	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR3971	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR3971	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR3971	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR3971	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR3971	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR3971	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR3971	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR3971	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR3971	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR3971	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR3971	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR3971	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR3971	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR3971	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR3971	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR3971	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR3971	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR3971	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR3971	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR3971	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR3971	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR3971	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR3971	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR3971	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR3971	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR3971	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR3971	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR3971	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR3971	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR3971	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR3971	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR3971	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR3971	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR3971	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR3971	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR3971	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR3971	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR3971	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR3971	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR3971	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR3971	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR3971	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR3971	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR3971	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR3971	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR3971	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR3971	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR3971	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR3971	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR3971	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR3971	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR3971	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR3971	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR3971	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR3971	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR3971	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR3971	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR3971	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR3971	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR3971	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR3971	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR3971	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR3971	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR3971	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR3971	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR3971	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR3971	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR3971	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR3971	O=C1CCCO1	C96480
PADEL_KR3971	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR3971	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR3971	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR3971	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR3971	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR3971	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR3971	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR3971	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR3971	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR3971	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR3971	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR3971	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3971	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3971	NC(=O)OCC	C51796
PADEL_KR3971	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR3971	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR3971	CC(=O)OCCOCC	C111159
PADEL_KR3971	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR3971	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR3971	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR3971	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR3971	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR3971	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR3971	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR3971	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR3971	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR3971	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR3971	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR3971	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR3971	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR3971	C(CC(C)C)OC(=O)C	C123922
PADEL_KR3971	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR3971	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR3971	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR3971	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3971	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR3971	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR3971	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR3971	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR3971	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR3971	O=C(OC)CCCCCCC	C111115
PADEL_KR3971	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR3971	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR3971	O=C(C)OCCCCC	C628637
PADEL_KR3971	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR3971	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR3971	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR3971	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR3971	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR3971	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR3971	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR3971	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR3971	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR3971	O=C(OC)CC(=O)OC	C108598
PADEL_KR3971	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR3971	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR3971	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR3971	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR3971	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR3971	O=C(CCC)OCC	C105544
PADEL_KR3971	O=C(OCC)CCCCCC	C106309
PADEL_KR3971	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR3971	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR3971	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR3971	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR3971	O=C(CCC)OCCC(C)C	C106274
PADEL_KR3971	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR3971	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR3971	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR3971	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR3971	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR3971	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR3971	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR3971	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR3971	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR3971	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR3971	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR3971	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR3971	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR3971	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR3971	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR3971	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR3971	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR3971	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR3971	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR3971	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR3971	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR3971	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR3971	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR3971	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR3971	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR3971	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR3971	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR3971	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR3971	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR3971	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR3971	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR3971	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR3971	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR3971	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR3971	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR3971	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR3971	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR3971	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR3971	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR3971	O=COCC	C109944
PADEL_KR3971	O=C(OCC)c1ccccc1	C93890
PADEL_KR3971	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR3971	CC(=O)OCC	C141786
PADEL_KR3971	CC(=O)OCCCC	C123864
PADEL_KR3971	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR3971	CC1CC(=O)O1	C3068880
PADEL_KR3971	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR3971	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR3971	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR3971	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3971	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR3971	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR3971	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR3971	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR3971	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR3971	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR3971	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR3971	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR3971	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR3971	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR3971	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR3971	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR3971	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR3971	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR3971	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR3971	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3971	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR3971	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR3971	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR3971	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR3971	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR3971	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR3971	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR3971	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR3971	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR3971	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR3971	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR3971	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR3971	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR3971	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR3971	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR3971	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR3971	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR3971	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR3971	O=C(OCCCCO)C=C	C2478106
PADEL_KR3971	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR3971	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR3971	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR3971	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR3971	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR3971	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR3971	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR3971	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR3971	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR3971	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR3971	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR3971	O=COCc1ccc(OC)cc1	C122918
PADEL_KR3983	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR3983	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR3983	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR3983	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR3985	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR3985	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR3985	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR3987	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR3987	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR3987	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR3987	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR3987	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR3987	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR3987	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR3987	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR3987	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR3987	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR3987	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR3989	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR3989	COc1ccc(OC)cc1	C150787
PADEL_KR3989	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3989	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR3989	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR3989	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR3989	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR3989	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3989	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR3989	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR3990	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR3991	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR3991	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR3991	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR3996	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR3997	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3997	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR3998	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR3998	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR3998	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR3998	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR3998	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3998	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR3998	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR3998	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR3998	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR3998	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR3998	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR3998	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR3998	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR3999	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR3999	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4000	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR4000	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4000	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4000	C=CCc1ccc(cc1)OC	C140670
PADEL_KR4000	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR4000	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR4000	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR4000	COc1ccc(cc1)O	C150765
PADEL_KR4000	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR4000	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR4000	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4000	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4000	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4000	COc1ccc(OC)cc1	C150787
PADEL_KR4000	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR4000	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR4000	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4000	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR4000	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4000	c1cccc(OC)c1O	C90051
PADEL_KR4000	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4000	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR4000	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4000	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4000	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR4000	O(c1ccc(N)cc1)CC	C156434
PADEL_KR4000	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4000	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR4000	O=Cc1ccc(OC)cc1	C123115
PADEL_KR4000	OC(C)COc1ccccc1	C770354
PADEL_KR4000	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR4000	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4000	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4000	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4000	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4000	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR4000	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR4000	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4000	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4000	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4000	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4000	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4000	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR4000	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR4000	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR4000	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4000	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4000	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4000	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4000	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4000	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4000	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR4000	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR4000	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4000	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4000	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4000	Oc1c(OCC)cccc1	C94713
PADEL_KR4000	COc1ccc(CCC)cc1	C104450
PADEL_KR4000	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4000	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4000	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR4000	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR4000	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4000	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR4000	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR4000	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR4000	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4000	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4000	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4000	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR4000	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4000	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4000	c1ccccc1OCCO	C122996
PADEL_KR4000	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4000	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR4000	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4000	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4000	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4000	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4000	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4000	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4000	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR4000	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4000	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4000	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR4000	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR4000	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4000	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4000	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4000	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4000	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4000	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4000	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR4000	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4000	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4000	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4000	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4000	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4000	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR4000	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4000	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR4000	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4000	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4000	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4000	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4000	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4000	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4000	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4000	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4000	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4000	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4000	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR4000	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4000	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4000	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4000	Nc1cc(ccc1OC)C	C120718
PADEL_KR4000	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR4000	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR4000	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR4000	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR4000	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4000	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4000	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4000	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR4000	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4000	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4000	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR4000	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4000	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4000	Nc1c(OC)cccc1	C90040
PADEL_KR4000	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4000	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4000	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4000	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR4000	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR4000	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4000	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4000	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4000	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4000	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR4000	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4000	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4000	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4000	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR4000	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4000	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4000	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4000	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4000	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4000	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR4000	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4000	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4000	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4000	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4000	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4000	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4000	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4000	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4000	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4000	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4000	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR4000	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4000	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4000	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4000	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4000	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4000	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4000	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4000	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4000	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4000	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4000	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR4000	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR4000	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4000	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4000	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4000	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4000	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4000	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4000	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4000	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4000	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4000	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4000	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4000	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR4000	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4000	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4000	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4000	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4000	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4000	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4000	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4000	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4000	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4000	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4000	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4000	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR4000	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR4000	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4000	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4000	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR4000	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4000	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4000	Nc1ccc(OC)cc1	C104949
PADEL_KR4000	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR4000	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4000	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR4000	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4000	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4000	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR4000	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4000	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4000	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4000	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4000	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4000	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4000	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4000	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4000	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR4000	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4000	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4000	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR4000	CC1COc2ccccc2N1	C32329207
PADEL_KR4000	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR4000	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4000	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR4000	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4000	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4000	O=COCc1ccc(OC)cc1	C122918
PADEL_KR4003	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4003	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR4003	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4003	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4003	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4003	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4003	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4003	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4003	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4003	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4003	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4003	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR4003	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4003	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR4003	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4003	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4003	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4003	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4003	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4003	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4003	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4003	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4005	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4005	c1cccc(OC)c1O	C90051
PADEL_KR4005	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4005	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR4005	Oc1c(OCC)cccc1	C94713
PADEL_KR4005	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR4005	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4005	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4005	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4005	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4005	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4005	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4005	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR4005	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4005	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR4005	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4005	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR4005	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4005	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4005	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR4005	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4005	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4005	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4005	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4005	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4005	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4005	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4005	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4005	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4005	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4005	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4005	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4005	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4005	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4006	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4006	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4006	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4006	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4006	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4006	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4006	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4006	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4006	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4006	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR4006	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4006	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4006	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4006	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4006	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4006	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4010	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4010	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4010	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4010	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4010	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4010	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4010	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4012	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4012	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4012	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4012	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4012	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4012	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4012	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4013	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR4014	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4014	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR4014	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR4014	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4014	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4014	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4014	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4014	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4014	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4014	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4014	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4015	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4015	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4015	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR4015	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR4015	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4015	CC(O)COC	C107982
PADEL_KR4015	C(OCCCC)C1CO1	C2426086
PADEL_KR4015	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4015	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4015	O=C1OCC(C)O1	C108327
PADEL_KR4015	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR4015	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR4015	OC(C)COCCC	C1569013
PADEL_KR4015	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR4015	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4015	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4015	O=C1OCC(CC)O1	C4437858
PADEL_KR4015	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4015	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR4015	CC(O)COCC	C1569024
PADEL_KR4015	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR4015	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4015	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR4015	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR4015	OC(C)C(=O)OCCCC	C138227
PADEL_KR4015	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR4015	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR4015	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR4015	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR4015	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR4015	OCCOCC(C)OCCO	C9003116
PADEL_KR4015	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4015	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4015	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4015	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR4015	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4015	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR4015	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4015	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4015	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4015	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4015	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4015	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR4015	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4015	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4015	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4015	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4015	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4015	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4015	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4015	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4015	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4015	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4015	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR4015	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4015	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR4015	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4015	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR4015	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4015	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR4015	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR4015	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4015	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR4015	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4015	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4015	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR4015	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4015	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4015	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4015	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4015	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4015	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR4015	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4015	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4015	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4015	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4015	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4015	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4015	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4015	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR4015	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4015	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4015	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4015	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4015	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4016	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4018	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4018	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR4018	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4018	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR4018	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4018	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR4018	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR4018	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR4018	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR4018	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4018	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR4018	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR4018	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR4018	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR4018	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR4018	CS(=O)(=O)OC	C66273
PADEL_KR4018	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4018	O=S1(=O)CCCO1	C1120714
PADEL_KR4018	O=S(=O)(OCC)OCC	C64675
PADEL_KR4018	O=S(=O)(OC)OC	C77781
PADEL_KR4018	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR4018	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR4018	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR4018	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4019	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4019	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR4019	CS(=O)C	C67685
PADEL_KR4019	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR4019	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4019	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4019	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4019	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4019	C(CCCCCC)CCCCCS	C112550
PADEL_KR4019	O=C(O)CS	C68111
PADEL_KR4019	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4019	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4019	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4019	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4019	SC(C)(C)CCCCCC	C25360105
PADEL_KR4019	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4019	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR4019	N#C[S-].[NH4+]	C1762954
PADEL_KR4019	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR4019	OCCSCCCCCCCC	C3547339
PADEL_KR4019	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR4019	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR4019	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4019	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4019	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4019	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR4019	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4019	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4019	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR4019	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4019	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4019	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4019	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR4019	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4019	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4019	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR4019	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR4019	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4019	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR4019	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4019	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR4019	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4019	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR4019	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR4019	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR4019	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4019	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR4019	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4019	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR4019	NP(=O)(OC)SC	C10265926
PADEL_KR4019	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR4019	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4019	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR4019	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR4019	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4019	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR4019	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4019	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR4019	CN1CN(C)CSC1=S	C533744
PADEL_KR4019	C(SC#N)SC#N	C6317186
PADEL_KR4019	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4019	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4019	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4019	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4019	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4019	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR4019	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4019	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR4019	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4019	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR4019	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4019	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR4019	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4019	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR4019	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4019	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4019	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4019	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4019	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR4019	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4019	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR4019	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4019	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR4019	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4019	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR4019	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4019	CS(=O)(=O)OC	C66273
PADEL_KR4019	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4019	O=S1(=O)CCCO1	C1120714
PADEL_KR4019	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR4019	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR4019	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4019	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4019	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4019	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR4019	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR4019	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4019	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4019	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR4019	ON=CC(C)(C)SC	C1646759
PADEL_KR4019	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR4019	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR4019	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4019	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4019	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4019	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4019	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4019	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4019	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4019	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4019	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4019	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4019	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4019	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4019	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4019	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4019	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4019	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4019	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4019	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4019	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4019	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4019	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4019	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4019	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR4019	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4019	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4019	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4019	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4019	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4019	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4019	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4019	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4019	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4019	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR4019	O=CCCSC	C3268493
PADEL_KR4019	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR4019	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR4019	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4019	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4019	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR4019	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4019	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR4019	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4019	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4019	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4019	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4019	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR4019	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4019	N#CSCCCCCCCCCCCC	C765151
PADEL_KR4019	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4019	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4019	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR4019	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR4019	SC1CCCC1	C1679078
PADEL_KR4019	S=C=NCCCSC	C505793
PADEL_KR4019	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4019	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR4019	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4020	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4020	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4020	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4020	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4020	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4020	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4020	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4020	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4020	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4020	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4021	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4021	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4021	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4021	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4021	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4021	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4021	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4021	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4021	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4021	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4022	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4022	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4022	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4022	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4022	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4022	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4022	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4022	CS(=O)(=O)OC	C66273
PADEL_KR4022	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4022	O=S1(=O)CCCO1	C1120714
PADEL_KR4022	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4022	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4022	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4022	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4022	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4022	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4022	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4022	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4022	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4022	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4022	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4022	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4022	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4023	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4023	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4023	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4023	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4023	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4023	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4023	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4023	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4023	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4023	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4023	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4023	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4023	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4023	CS(=O)(=O)OC	C66273
PADEL_KR4023	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4023	O=S1(=O)CCCO1	C1120714
PADEL_KR4023	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4023	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4023	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR4023	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4023	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4023	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4023	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4023	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4023	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4023	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4023	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4023	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4023	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4023	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4023	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4023	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4023	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4023	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4023	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4023	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4023	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4023	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4023	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4023	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4023	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4023	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4023	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4023	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR4023	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4023	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4024	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4024	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4024	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR4024	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4026	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4026	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4026	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4026	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4026	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4026	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4027	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR4027	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR4027	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4027	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4027	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4027	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4028	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4028	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR4028	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4028	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR4028	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR4028	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4028	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4028	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4028	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4028	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4028	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4028	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4028	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4028	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4028	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4028	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4028	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4028	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4028	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4028	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4028	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4028	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4028	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4029	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4032	F[B-](F)(F)F.[Na+]	C13755298
PADEL_KR4032	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4032	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4032	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4032	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4032	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4032	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4032	[Na+].[O-]C(=O)CF	C62748
PADEL_KR4032	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR4032	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR4032	Brc1ccc(F)cc1	C460004
PADEL_KR4032	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR4032	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4032	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4032	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4032	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4032	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PADEL_KR4032	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR4032	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR4032	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4032	O=C(CF)O	C144490
PADEL_KR4032	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR4032	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4032	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4032	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4032	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR4032	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4032	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4032	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4032	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4032	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4032	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR4032	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR4032	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4032	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4032	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4032	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4032	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4032	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4032	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4032	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4032	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR4032	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4032	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4032	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4032	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4032	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4032	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4032	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4032	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4032	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4032	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4032	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4032	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4032	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4032	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4032	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4032	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4032	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4032	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4032	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4032	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4032	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4032	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4032	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4032	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4032	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4032	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4032	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4032	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4032	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR4032	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4032	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4032	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4032	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR4032	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR4032	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4032	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR4032	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4032	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR4032	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4032	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4032	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4032	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4032	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4032	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4032	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4032	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4032	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4032	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4032	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4032	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4032	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4032	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4032	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR4032	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4032	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4032	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4032	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4032	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4032	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4032	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4032	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4032	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4032	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4032	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4032	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4032	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR4032	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR4032	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4032	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4032	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4032	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4032	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4032	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4032	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4032	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4032	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR4032	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4032	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4032	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4032	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR4032	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4032	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4032	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4032	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4032	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4032	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4032	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4032	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4032	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4032	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR4032	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4032	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4032	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4032	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4032	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4032	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4032	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4032	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR4032	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4032	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4032	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4032	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR4032	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4032	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4032	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4032	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4032	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4032	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4032	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4032	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4032	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4032	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4032	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4032	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4032	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4032	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4032	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4032	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4032	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR4032	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR4032	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4032	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4032	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4032	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4032	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4032	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4032	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4032	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4032	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4032	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4032	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR4032	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4032	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PADEL_KR4032	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4032	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4032	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4039	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4039	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4041	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR4041	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR4041	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4041	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4044	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4045	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4045	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4045	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4045	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4045	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4045	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4045	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4046	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4046	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4046	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4046	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR4046	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR4046	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4046	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4046	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4046	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4046	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4046	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4046	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4046	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4046	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4046	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4046	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR4046	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4046	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4046	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR4046	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4046	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4046	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4046	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4046	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4046	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4046	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4046	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR4046	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4046	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4046	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4046	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4046	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4046	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4046	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4046	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4046	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4046	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4046	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4046	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4046	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4046	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4046	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4046	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4046	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4046	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4046	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4048	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4050	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4052	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4052	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4052	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4052	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4052	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR4052	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4052	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4052	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4052	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4052	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4052	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4052	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4052	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4052	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4052	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4052	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4052	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR4052	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4052	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4052	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4052	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR4052	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4053	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4053	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4053	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4053	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4053	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4053	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PADEL_KR4053	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PADEL_KR4053	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR4053	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4053	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4053	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4053	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4053	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR4053	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4053	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4053	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4053	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR4053	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4053	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4053	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4053	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4053	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4053	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR4053	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4053	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4053	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4053	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4053	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4053	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4053	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR4053	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4053	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4053	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4053	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4053	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4053	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4053	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4053	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4053	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4053	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4053	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4053	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4053	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4053	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4053	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4053	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4053	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4053	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR4053	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4053	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR4053	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4053	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4053	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4053	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4053	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4053	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4053	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4053	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4053	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4053	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4053	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4053	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR4053	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4053	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4053	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4053	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4053	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4053	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4053	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4053	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4053	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4053	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4053	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4053	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4053	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4053	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4053	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4053	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4053	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR4053	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4053	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4053	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4053	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4053	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4053	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4053	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4053	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4053	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4053	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4053	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4053	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4053	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4053	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4053	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4053	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4053	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4055	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4059	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4059	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4059	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4059	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4059	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4059	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4060	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4062	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4062	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4062	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4062	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4062	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4064	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4064	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4065	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4065	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4065	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4065	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4065	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4065	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4065	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4065	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR4065	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4065	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4065	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4065	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4065	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4066	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4066	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4066	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4066	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4066	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4066	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4067	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4067	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4067	Brc1ccc(F)cc1	C460004
PADEL_KR4067	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4067	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR4067	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4067	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR4067	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PADEL_KR4067	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4067	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4067	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4067	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4067	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4067	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4067	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4067	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4067	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4067	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4067	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4067	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4067	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4067	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR4067	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4067	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR4067	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4067	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4067	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4067	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4067	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4067	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4067	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4067	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4067	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4067	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PADEL_KR4067	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR4067	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4067	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4067	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4067	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4067	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4067	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR4067	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4067	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4067	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4067	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR4067	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4067	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4067	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4067	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4067	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4067	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR4067	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4067	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4067	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4067	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4067	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4067	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4067	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR4067	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4067	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4067	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4067	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4067	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4067	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR4067	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR4067	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4067	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4067	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4067	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR4068	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4070	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4070	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4070	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4070	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4070	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4070	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4071	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4071	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4073	[Na+].[O-]C(=O)CF	C62748
PADEL_KR4073	O=C(CF)O	C144490
PADEL_KR4073	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4073	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4073	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4073	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4073	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4073	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4073	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4073	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4073	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4073	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4074	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4074	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4074	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4074	[Na]I	C7681825
PADEL_KR4074	NCCN.I.I	C5700492
PADEL_KR4074	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4074	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4074	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4074	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4074	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4074	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4074	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PADEL_KR4074	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR4074	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR4074	[Hg+2].[I-].[I-]	C7774290
PADEL_KR4074	IC(=C(I)I)I	C513928
PADEL_KR4074	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4076	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4077	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4077	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4077	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4077	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4077	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4077	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4077	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4077	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4077	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR4077	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR4077	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4078	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4080	CC(=O)N	C60355
PADEL_KR4080	C=CC#N	C107131
PADEL_KR4080	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4080	C=CCN=C=S	C57067
PADEL_KR4080	c1(nc[nH]n1)N	C61825
PADEL_KR4080	Nc1ccccc1.Cl	C142041
PADEL_KR4080	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR4080	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4080	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR4080	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR4080	CC(CNCC(C)O)O	C110974
PADEL_KR4080	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4080	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4080	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4080	Clc1c(ccc(c1)N)C	C95749
PADEL_KR4080	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4080	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR4080	NC(=N)NC#N	C461585
PADEL_KR4080	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR4080	S=C(NCC)NCC	C105555
PADEL_KR4080	CN(C)C(=O)C	C127195
PADEL_KR4080	CN(CCO)C	C108010
PADEL_KR4080	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PADEL_KR4080	CN(C)N	C57147
PADEL_KR4080	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR4080	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4080	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4080	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4080	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR4080	NC(=O)OC	C598550
PADEL_KR4080	NC(=O)c1cccnc1	C98920
PADEL_KR4080	O=[N+](CC)[O-]	C79243
PADEL_KR4080	CN(C(=O)N)N=O	C684935
PADEL_KR4080	CN(N=O)C	C62759
PADEL_KR4080	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR4080	O=NN1CCCC1	C930552
PADEL_KR4080	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4080	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4080	Nc1ccc(cc1)N	C106503
PADEL_KR4080	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR4080	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4080	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4080	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR4080	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4080	NC(=S)N	C62566
PADEL_KR4080	Nc1ccccc1C.Cl	C636215
PADEL_KR4080	c1(O)ccccc1C(=O)N	C65452
PADEL_KR4080	OC(C)CN	C78966
PADEL_KR4080	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4080	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR4080	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4080	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR4080	ON=C1CCCCC1	C100641
PADEL_KR4080	OCCN1CCNCC1	C103764
PADEL_KR4080	Nc1ccc(CCCC)cc1	C104132
PADEL_KR4080	N#CCC#N	C109773
PADEL_KR4080	CCNCCO	C110736
PADEL_KR4080	CCCCCCCCCCCCN	C124221
PADEL_KR4080	NCCN1CCNCC1	C140318
PADEL_KR4080	CCCCCCCCCCN	C2016571
PADEL_KR4080	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR4080	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4080	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR4080	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR4080	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PADEL_KR4080	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4080	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4080	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4080	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4080	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR4080	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4080	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PADEL_KR4080	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR4080	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR4080	NC(CO)(CO)CO	C77861
PADEL_KR4080	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4080	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4080	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4080	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4080	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4080	CNC	C124403
PADEL_KR4080	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR4080	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4080	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4080	CC(=C)C#N	C126987
PADEL_KR4080	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4080	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR4080	O=C(N)N=NC(=O)N	C123773
PADEL_KR4080	ON=CCCC	C110690
PADEL_KR4080	C(C)(C)(C)N	C75649
PADEL_KR4080	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR4080	C(CCN)CCCN	C124094
PADEL_KR4080	N#CC(Br)(CCC#N)CBr	C35691657
PADEL_KR4080	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR4080	N(CCN)CCN	C111400
PADEL_KR4080	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR4080	N(CCCN)(C)C	C109557
PADEL_KR4080	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR4080	OCNC(=O)NCO	C140954
PADEL_KR4080	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR4080	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR4080	N([Si](C)(C)C)[Si](C)(C)C	C999973
PADEL_KR4080	C(C)(C)(O)C#N	C75865
PADEL_KR4080	N#CC(CCC#N)C	C4553622
PADEL_KR4080	C1COCCN1	C110918
PADEL_KR4080	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR4080	O(c1ccc(N)cc1)CC	C156434
PADEL_KR4080	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR4080	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4080	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4080	N(C)(C)C	C75503
PADEL_KR4080	N#CC(C)C	C78820
PADEL_KR4080	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4080	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4080	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR4080	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR4080	N1CCCCCC1	C111499
PADEL_KR4080	CCCCCCCCCCCCN(C)C	C112185
PADEL_KR4080	OCC(N)(C)C	C124685
PADEL_KR4080	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4080	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4080	O=C1NCCC1	C616455
PADEL_KR4080	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR4080	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR4080	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR4080	Nc1cccc(C)c1C	C1300738
PADEL_KR4080	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR4080	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR4080	NNC(=S)NN	C2231574
PADEL_KR4080	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4080	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR4080	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PADEL_KR4080	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4080	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4080	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4080	Nc1c(C)cccc1CC	C24549062
PADEL_KR4080	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4080	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PADEL_KR4080	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR4080	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4080	CN1CCOCC1	C109024
PADEL_KR4080	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4080	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR4080	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4080	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4080	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4080	N#C[S-].[NH4+]	C1762954
PADEL_KR4080	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_KR4080	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR4080	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4080	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4080	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR4080	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4080	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR4080	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR4080	CCN1CN(CC)CN(CC)C1	C7779273
PADEL_KR4080	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR4080	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4080	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4080	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4080	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4080	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR4080	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR4080	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4080	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4080	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4080	O=S(=O)(N)O	C5329146
PADEL_KR4080	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4080	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR4080	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR4080	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4080	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR4080	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR4080	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4080	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4080	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4080	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4080	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4080	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4080	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR4080	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4080	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4080	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR4080	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR4080	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR4080	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR4080	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR4080	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR4080	CC(=CCCC(=CC#N)C)C	C5146667
PADEL_KR4080	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR4080	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PADEL_KR4080	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR4080	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR4080	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR4080	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR4080	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4080	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4080	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4080	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4080	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR4080	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4080	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4080	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4080	Nc1ccc(CCCCC)cc1	C33228443
PADEL_KR4080	Nc1ccc(CCCCCC)cc1	C33228454
PADEL_KR4080	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4080	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR4080	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR4080	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR4080	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR4080	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4080	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4080	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PADEL_KR4080	Oc1ccccc1CN(C)C	C120650
PADEL_KR4080	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4080	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR4080	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR4080	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR4080	NCCCN1CCOCC1	C123002
PADEL_KR4080	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4080	N#Cc1c(O)cccc1	C611201
PADEL_KR4080	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4080	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4080	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4080	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4080	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4080	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4080	OCCN(CC)CCO	C139877
PADEL_KR4080	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4080	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4080	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR4080	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR4080	CC(C)N(C(C)C)c1ccccc1	C4107986
PADEL_KR4080	S=C(NC)NC	C534134
PADEL_KR4080	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4080	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4080	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR4080	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4080	O=C(N)Nc1ccccc1	C64108
PADEL_KR4080	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR4080	NNC(=S)NC	C6610293
PADEL_KR4080	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4080	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PADEL_KR4080	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PADEL_KR4080	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4080	NCCN.I.I	C5700492
PADEL_KR4080	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4080	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4080	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4080	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4080	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR4080	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4080	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4080	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR4080	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4080	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR4080	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR4080	Nc1ccc(CCC)cc1	C2696846
PADEL_KR4080	Nc1ccc(C(C)(C)C)cc1	C769926
PADEL_KR4080	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR4080	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PADEL_KR4080	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR4080	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4080	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR4080	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4080	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4080	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4080	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR4080	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4080	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR4080	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4080	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4080	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4080	S=C1NCCN1	C96457
PADEL_KR4080	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4080	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR4080	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR4080	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4080	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4080	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4080	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4080	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR4080	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR4080	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR4080	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR4080	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4080	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4080	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4080	c1ccccc1Nc1ccccc1	C122394
PADEL_KR4080	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR4080	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR4080	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR4080	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR4080	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4080	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR4080	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR4080	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4080	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR4080	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR4080	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR4080	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PADEL_KR4080	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4080	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4080	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4080	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4080	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR4080	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR4080	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4080	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR4080	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR4080	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR4080	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR4080	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR4080	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4080	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4080	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR4080	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4080	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4080	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4080	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4080	[Cl-].C[N+]1(C)CCCCC1	C24307264
PADEL_KR4080	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4080	NP(=O)(OC)SC	C10265926
PADEL_KR4080	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR4080	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4080	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4080	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR4080	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4080	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4080	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR4080	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR4080	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4080	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR4080	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4080	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4080	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR4080	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PADEL_KR4080	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR4080	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4080	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4080	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR4080	CN1CN(C)CSC1=S	C533744
PADEL_KR4080	C(SC#N)SC#N	C6317186
PADEL_KR4080	S=C=NC	C556616
PADEL_KR4080	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4080	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4080	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4080	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR4080	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR4080	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4080	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4080	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR4080	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR4080	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR4080	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4080	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4080	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4080	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4080	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4080	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4080	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR4080	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4080	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR4080	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4080	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4080	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PADEL_KR4080	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4080	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR4080	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4080	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4080	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4080	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4080	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4080	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4080	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4080	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR4080	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4080	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4080	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR4080	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4080	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4080	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4080	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4080	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4080	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4080	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4080	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR4080	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4080	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR4080	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4080	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4080	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4080	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4080	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR4080	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4080	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR4080	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR4080	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4080	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PADEL_KR4080	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4080	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR4080	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4080	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR4080	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR4080	N#CN	C420042
PADEL_KR4080	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR4080	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4080	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4080	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4080	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4080	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4080	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4080	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4080	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4080	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4080	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4080	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR4080	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4080	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4080	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4080	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR4080	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4080	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4080	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR4080	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR4080	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4080	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR4080	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR4080	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4080	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4080	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR4080	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR4080	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR4080	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4080	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR4080	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4080	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4080	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR4080	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4080	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR4080	NC(=O)C=C	C79061
PADEL_KR4080	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR4080	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR4080	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR4080	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_KR4080	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_KR4080	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4080	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PADEL_KR4080	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4080	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4080	O=C1CCCCCN1	C105602
PADEL_KR4080	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4080	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4080	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR4080	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR4080	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4080	Nc1ccc(cc1)Cl	C106478
PADEL_KR4080	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR4080	Nc1cc(ccc1OC)C	C120718
PADEL_KR4080	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4080	Nc1c(ccc(c1)N)C	C95807
PADEL_KR4080	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR4080	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR4080	CN(c1ccccc1)C	C121697
PADEL_KR4080	O=C(N(C)C)Cl	C79447
PADEL_KR4080	CN(C=O)C	C68122
PADEL_KR4080	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4080	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR4080	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR4080	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR4080	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4080	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR4080	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PADEL_KR4080	C1N2CN3CN(C2)CN1C3	C100970
PADEL_KR4080	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR4080	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4080	O=C(c1ccncc1)NN	C54853
PADEL_KR4080	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4080	O=C1N(CCC1)C	C872504
PADEL_KR4080	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4080	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PADEL_KR4080	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PADEL_KR4080	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR4080	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_KR4080	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR4080	CN1CCC[C@H]1c1cnccc1	C54115
PADEL_KR4080	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4080	O=N[O-].[Na+]	C7632000
PADEL_KR4080	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4080	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4080	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR4080	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR4080	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR4080	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4080	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4080	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4080	O=NN(CCCC)CCCC	C924163
PADEL_KR4080	CCN(CC)N=O	C55185
PADEL_KR4080	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR4080	O=NN(CCC)CCC	C621647
PADEL_KR4080	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR4080	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4080	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4080	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR4080	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4080	Nc1cc(ccc1)N	C108452
PADEL_KR4080	C1CNCCN1	C110850
PADEL_KR4080	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR4080	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4080	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4080	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4080	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4080	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR4080	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4080	OCCN(CCO)CCO	C102716
PADEL_KR4080	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4080	C(=O)(N)N	C57136
PADEL_KR4080	NC(=O)OCC	C51796
PADEL_KR4080	O=C1N(C=C)CCC1	C88120
PADEL_KR4080	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4080	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4080	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR4080	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4080	CCN(CC)c1ccccc1	C91667
PADEL_KR4080	CCC(=NO)C	C96297
PADEL_KR4080	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR4080	CN(C)c1ccc(C)cc1	C99978
PADEL_KR4080	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR4080	CCN(CCO)CC	C100378
PADEL_KR4080	CCNc1cc(C)ccc1	C102272
PADEL_KR4080	Nc1ccc(C)cc1	C106490
PADEL_KR4080	OCCNCCO	C111422
PADEL_KR4080	N#CCCCCC#N	C111693
PADEL_KR4080	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4080	OCCN	C141435
PADEL_KR4080	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4080	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4080	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PADEL_KR4080	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4080	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4080	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4080	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR4080	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4080	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR4080	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4080	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4080	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR4080	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4080	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR4080	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4080	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR4080	Nc1c(OC)cccc1	C90040
PADEL_KR4080	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4080	NC1CCCCC1	C108918
PADEL_KR4080	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PADEL_KR4080	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR4080	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR4080	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4080	O=C=NCCCCCCN=C=O	C822060
PADEL_KR4080	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR4080	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4080	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR4080	ON=CC(C)(C)SC	C1646759
PADEL_KR4080	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4080	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR4080	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4080	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR4080	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR4080	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR4080	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR4080	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4080	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR4080	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR4080	Nc1cc(C)ccc1N	C496720
PADEL_KR4080	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4080	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4080	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR4080	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR4080	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR4080	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR4080	N(c1ccccc1)CC	C103695
PADEL_KR4080	C(=O)(N)NO	C127071
PADEL_KR4080	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR4080	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR4080	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR4080	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR4080	Nc1c(N)cccc1	C95545
PADEL_KR4080	N(c1ccccc1)c1ccc(N)cc1	C101542
PADEL_KR4080	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR4080	Nc1c(cccc1)C	C95534
PADEL_KR4080	N(CCCC)(CCCC)CCCC	C102829
PADEL_KR4080	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4080	Nc1c(cccc1C)C	C87627
PADEL_KR4080	N#Cc1cnccc1	C100549
PADEL_KR4080	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR4080	Nc1cccc(C)c1	C108441
PADEL_KR4080	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PADEL_KR4080	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR4080	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR4080	Nc1c(CC)cccc1CC	C579668
PADEL_KR4080	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR4080	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR4080	Nc1cccc(C)c1N	C2687254
PADEL_KR4080	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR4080	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4080	CCC12N(COC1)COC2	C7747355
PADEL_KR4080	O=C(N)C(=C)C	C79390
PADEL_KR4080	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4080	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4080	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR4080	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PADEL_KR4080	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4080	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4080	Nn1cnnc1	C584134
PADEL_KR4080	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4080	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4080	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4080	CCCCCCCCN(C)C	C7378996
PADEL_KR4080	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4080	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4080	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4080	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4080	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4080	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR4080	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR4080	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4080	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR4080	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR4080	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR4080	CCCCCCCCN(CCCCCCCC)C	C4455269
PADEL_KR4080	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR4080	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4080	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR4080	CN(C)CCCN(C)CCCN(C)C	C3855321
PADEL_KR4080	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR4080	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4080	O=C(C)NC	C79163
PADEL_KR4080	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4080	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4080	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4080	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4080	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4080	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR4080	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR4080	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4080	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4080	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4080	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR4080	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4080	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4080	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4080	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4080	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR4080	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR4080	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4080	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4080	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4080	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4080	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR4080	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4080	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4080	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4080	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4080	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4080	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4080	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4080	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR4080	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4080	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4080	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4080	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4080	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4080	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4080	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR4080	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4080	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4080	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4080	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4080	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4080	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4080	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4080	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4080	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4080	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4080	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4080	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4080	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4080	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4080	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4080	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4080	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4080	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4080	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4080	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4080	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR4080	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR4080	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4080	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4080	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4080	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4080	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4080	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR4080	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR4080	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4080	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4080	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR4080	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4080	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4080	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4080	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4080	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4080	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4080	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR4080	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4080	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4080	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4080	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4080	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4080	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4080	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR4080	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4080	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4080	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4080	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4080	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4080	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4080	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4080	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4080	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR4080	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4080	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4080	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR4080	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR4080	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4080	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4080	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR4080	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR4080	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR4080	C(=O)N	C75127
PADEL_KR4080	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4080	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR4080	N#CC(Br)Br	C3252435
PADEL_KR4080	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4080	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR4080	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4080	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR4080	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4080	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4080	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR4080	NCCOCCOCCN	C929599
PADEL_KR4080	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4080	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4080	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4080	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR4080	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4080	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4080	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4080	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4080	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4080	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4080	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4080	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR4080	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4080	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4080	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4080	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4080	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4080	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4080	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4080	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4080	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4080	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4080	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4080	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4080	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4080	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4080	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4080	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR4080	S=C(NCCCC)NCCCC	C109466
PADEL_KR4080	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4080	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4080	NCc1cccc(CN)c1	C1477550
PADEL_KR4080	N(CCN(C)C)(C)C	C110189
PADEL_KR4080	CCN(CC)CC	C121448
PADEL_KR4080	NCCN	C107153
PADEL_KR4080	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR4080	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR4080	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4080	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4080	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR4080	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR4080	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR4080	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4080	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR4080	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR4080	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR4080	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4080	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR4080	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR4080	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR4080	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4080	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR4080	NNc1ccccc1.Cl	C59881
PADEL_KR4080	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PADEL_KR4080	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR4080	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR4080	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR4080	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR4080	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4080	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR4080	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_KR4080	N#Cc1ccccc1	C100470
PADEL_KR4080	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR4080	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR4080	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR4080	Nc1ccc(Br)cc1	C106401
PADEL_KR4080	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR4080	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4080	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4080	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR4080	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR4080	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR4080	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR4080	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4080	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR4080	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4080	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4080	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4080	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR4080	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR4080	Nc1ccc(OC)cc1	C104949
PADEL_KR4080	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR4080	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4080	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR4080	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4080	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4080	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4080	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR4080	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4080	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4080	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR4080	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PADEL_KR4080	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4080	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PADEL_KR4080	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4080	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4080	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR4080	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4080	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR4080	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PADEL_KR4080	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR4080	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4080	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4080	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4080	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4080	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4080	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR4080	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR4080	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4080	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4080	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4080	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4080	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4080	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_KR4080	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4080	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4080	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PADEL_KR4080	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4080	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR4080	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR4080	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4080	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4080	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR4080	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR4080	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR4080	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4080	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4080	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4080	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4080	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR4080	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR4080	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4080	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PADEL_KR4080	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4080	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4080	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4080	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4080	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4080	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4080	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4080	N#CSCCCCCCCCCCCC	C765151
PADEL_KR4080	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR4080	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR4080	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR4080	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4080	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4080	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR4080	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR4080	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4080	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR4080	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4080	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR4080	O=CN1CCCCC1	C2591868
PADEL_KR4080	CCCCCCCCCCCCN.Cl	C929737
PADEL_KR4080	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PADEL_KR4080	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PADEL_KR4080	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4080	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR4080	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR4080	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PADEL_KR4080	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR4080	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR4080	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4080	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4080	N#C[Au-]C#N.[K+]	C13967505
PADEL_KR4080	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4080	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR4080	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4080	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4080	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR4080	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR4080	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4080	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4080	NCCCOCCCCCCCC	C15930662
PADEL_KR4080	Nc1cccc(C)n1	C1824813
PADEL_KR4080	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR4080	CC1COc2ccccc2N1	C32329207
PADEL_KR4080	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR4080	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PADEL_KR4080	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4080	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4080	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4080	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR4080	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4080	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4080	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR4080	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PADEL_KR4080	S=C=NCCCSC	C505793
PADEL_KR4080	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR4080	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR4080	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4080	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4080	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4080	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4080	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4080	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR4080	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_KR4080	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4081	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PADEL_KR4081	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4081	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PADEL_KR4081	N#Cc1c(O)cccc1	C611201
PADEL_KR4081	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PADEL_KR4081	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR4081	N#Cc1c(Cl)cccc1Cl	C1194656
PADEL_KR4081	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4081	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4081	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4081	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR4081	N#Cc1ccccc1	C100470
PADEL_KR4081	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR4081	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4081	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4082	N#CCC#N	C109773
PADEL_KR4082	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR4083	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4083	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4083	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4083	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4083	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4083	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4083	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4083	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4083	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4083	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4083	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4083	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4083	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4083	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR4083	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_KR4083	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4083	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4083	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4083	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4083	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR4083	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4086	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_KR4086	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4087	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4087	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4088	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR4088	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4088	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4088	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4102	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4113	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PADEL_KR4113	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4113	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4113	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4113	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR4113	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4113	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR4113	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4113	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4113	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4113	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4113	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4113	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4113	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4113	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4113	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4113	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4113	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR4113	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4114	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4114	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4115	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4115	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4115	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4116	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4116	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4116	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4116	O=C(N)N=NC(=O)N	C123773
PADEL_KR4116	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4116	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4116	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4116	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4116	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4116	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4116	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4116	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4116	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4116	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4116	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4116	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4116	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4116	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PADEL_KR4116	[Na+].[N-]=[N+]=[N-]	C26628228
PADEL_KR4116	c1(N=Nc2ccccc2)ccccc1	C103333
PADEL_KR4116	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4116	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4116	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4116	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4116	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4116	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4116	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PADEL_KR4116	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4116	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR4116	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4117	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4117	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR4117	O=[N+](CC)[O-]	C79243
PADEL_KR4117	CN(C(=O)N)N=O	C684935
PADEL_KR4117	CN(N=O)C	C62759
PADEL_KR4117	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR4117	O=NN1CCCC1	C930552
PADEL_KR4117	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4117	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR4117	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR4117	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4117	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR4117	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR4117	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR4117	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_KR4117	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4117	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4117	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4117	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR4117	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4117	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4117	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR4117	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4117	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4117	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR4117	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4117	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4117	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4117	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4117	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4117	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4117	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4117	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4117	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4117	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4117	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR4117	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR4117	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4117	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4117	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4117	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4117	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4117	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4117	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4117	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR4117	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR4117	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4117	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR4117	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4117	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR4117	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4117	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR4117	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR4117	O=N[O-].[Na+]	C7632000
PADEL_KR4117	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4117	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4117	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR4117	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR4117	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR4117	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4117	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4117	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4117	O=NN(CCCC)CCCC	C924163
PADEL_KR4117	CCN(CC)N=O	C55185
PADEL_KR4117	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR4117	O=NN(CCC)CCC	C621647
PADEL_KR4117	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR4117	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR4117	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4117	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4117	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR4117	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR4117	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR4117	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4117	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR4117	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR4117	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4117	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR4117	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR4117	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR4117	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR4117	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR4117	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR4117	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4117	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR4117	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR4117	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4117	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4117	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR4117	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4117	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR4117	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR4117	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR4117	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4117	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR4117	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4117	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4117	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4117	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR4117	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4117	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR4117	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR4117	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4117	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4117	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4117	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4117	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4117	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4117	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4117	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4117	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR4117	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4117	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4117	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4117	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4117	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR4117	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR4117	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4117	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4117	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4117	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4117	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4120	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR4121	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR4121	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR4122	NC(=N)NC#N	C461585
PADEL_KR4122	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4122	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR4122	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4122	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4122	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR4122	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR4122	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PADEL_KR4122	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4122	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR4122	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR4123	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR4123	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR4123	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR4127	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4127	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4127	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR4127	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4128	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4139	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4139	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4139	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4139	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4139	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4139	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4139	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR4139	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4139	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4139	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4139	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4139	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4139	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR4139	NC(=O)C=C	C79061
PADEL_KR4139	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4139	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4139	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4139	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR4139	O=C(N)C(=C)C	C79390
PADEL_KR4139	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4139	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4139	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4139	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4139	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4139	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4139	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4142	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4142	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4142	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4142	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4142	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4150	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4155	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4156	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4159	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4161	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4162	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4162	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4162	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4162	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4162	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4163	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4163	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4163	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4163	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4163	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4163	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4163	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4163	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4163	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4164	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4164	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4164	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4164	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4166	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4166	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4169	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4170	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4171	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4173	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4173	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4173	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4173	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4173	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR4173	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4173	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4173	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4174	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4174	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4174	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4174	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4174	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4174	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4175	NC(=O)c1cccnc1	C98920
PADEL_KR4175	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4175	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR4175	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR4175	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4175	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4175	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4175	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4176	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4177	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR4177	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4178	O=C(c1ccncc1)NN	C54853
PADEL_KR4178	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4181	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4182	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR4182	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4182	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4182	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4182	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4182	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4182	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4182	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4182	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4182	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4182	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4183	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4183	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4183	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4185	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4188	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4188	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4188	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4188	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4188	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4188	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4188	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4188	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4188	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4188	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4188	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4188	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4188	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4189	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR4189	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR4189	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4189	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR4189	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR4189	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4189	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR4189	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR4189	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR4189	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR4189	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR4189	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4189	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR4191	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4191	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4191	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4191	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4191	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4191	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4191	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4191	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4191	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4191	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4191	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4191	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4191	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4191	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4191	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4192	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4192	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4192	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4192	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4192	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4192	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4192	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4192	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4192	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4193	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4193	CN(C(=O)N)N=O	C684935
PADEL_KR4193	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4193	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4193	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4193	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4193	O=C(N)N=NC(=O)N	C123773
PADEL_KR4193	OCNC(=O)NCO	C140954
PADEL_KR4193	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4193	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4193	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4193	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4193	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4193	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4193	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4193	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4193	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR4193	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4193	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4193	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR4193	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4193	O=C(N)Nc1ccccc1	C64108
PADEL_KR4193	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4193	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4193	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4193	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4193	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR4193	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4193	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4193	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR4193	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4193	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4193	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR4193	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4193	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4193	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4193	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR4193	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4193	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4193	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4193	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4193	C(=O)(N)N	C57136
PADEL_KR4193	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4193	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR4193	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4193	C(=O)(N)NO	C127071
PADEL_KR4193	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4193	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4193	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4193	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4193	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR4193	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4193	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4193	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4193	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4193	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4193	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4193	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4193	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR4193	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4193	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4193	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4193	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4193	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4193	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4193	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4193	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4193	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4193	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4193	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4193	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4193	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4193	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4193	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4193	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4193	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR4193	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4195	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4195	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4197	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4197	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4197	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4197	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4197	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4197	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4197	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4197	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4197	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4197	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4197	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4197	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4197	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4197	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4197	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4197	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4197	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4197	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4197	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4197	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4197	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4197	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4197	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4197	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4197	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4197	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4197	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4197	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4198	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4198	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4198	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4198	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4198	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4200	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4202	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4202	C(=O)(N)NO	C127071
PADEL_KR4202	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4202	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4204	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4204	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4204	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4204	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4204	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4204	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4204	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4204	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4204	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4204	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4204	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4204	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4204	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4204	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4204	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4204	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4204	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4204	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4204	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4204	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4204	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4204	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4205	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR4205	NC(=O)OC	C598550
PADEL_KR4205	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4205	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4205	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4205	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR4205	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4205	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4205	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4205	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR4205	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4205	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR4205	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4205	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4205	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4205	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4205	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4205	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4205	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4205	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4205	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4205	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4205	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4205	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR4205	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4205	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4205	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4205	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4205	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4205	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR4205	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4205	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4205	NC(=O)OCC	C51796
PADEL_KR4205	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4205	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR4205	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4205	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4205	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4205	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4205	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4205	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4205	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR4205	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4205	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4205	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4205	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4205	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4207	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4207	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4207	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4207	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4207	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4207	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4208	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4208	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4208	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4209	S=C(NCC)NCC	C105555
PADEL_KR4209	NC(=S)N	C62566
PADEL_KR4209	NNC(=S)NN	C2231574
PADEL_KR4209	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4209	S=C(NC)NC	C534134
PADEL_KR4209	NNC(=S)NC	C6610293
PADEL_KR4209	S=C1NCCN1	C96457
PADEL_KR4209	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4209	S=C(NCCCC)NCCCC	C109466
PADEL_KR4209	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR4209	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR4218	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4218	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4225	NC(CO)(CO)CO	C77861
PADEL_KR4225	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4225	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR4225	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR4225	CCC12N(COC1)COC2	C7747355
PADEL_KR4225	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4225	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4225	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4229	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR4230	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4230	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4230	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4230	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4230	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4231	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4231	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR4231	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4231	O=C1N(C=C)CCC1	C88120
PADEL_KR4231	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4231	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4231	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4237	CC(=O)N	C60355
PADEL_KR4237	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4237	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4237	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4237	CN(C)C(=O)C	C127195
PADEL_KR4237	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4237	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR4237	NC(=O)OC	C598550
PADEL_KR4237	NC(=O)c1cccnc1	C98920
PADEL_KR4237	CN(C(=O)N)N=O	C684935
PADEL_KR4237	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4237	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR4237	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4237	c1(O)ccccc1C(=O)N	C65452
PADEL_KR4237	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4237	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR4237	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR4237	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4237	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4237	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4237	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4237	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4237	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR4237	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4237	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4237	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4237	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR4237	O=C(N)N=NC(=O)N	C123773
PADEL_KR4237	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR4237	OCNC(=O)NCO	C140954
PADEL_KR4237	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4237	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4237	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4237	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4237	O=C1NCCC1	C616455
PADEL_KR4237	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR4237	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR4237	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR4237	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4237	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4237	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR4237	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4237	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4237	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4237	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4237	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4237	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4237	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR4237	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4237	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4237	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR4237	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4237	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4237	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4237	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4237	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4237	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4237	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4237	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4237	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4237	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4237	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4237	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR4237	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR4237	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4237	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4237	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4237	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4237	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4237	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4237	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR4237	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR4237	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4237	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4237	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4237	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4237	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4237	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4237	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR4237	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4237	O=C(N)Nc1ccccc1	C64108
PADEL_KR4237	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR4237	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4237	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4237	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR4237	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4237	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4237	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4237	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4237	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4237	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR4237	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4237	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4237	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4237	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR4237	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4237	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4237	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4237	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR4237	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR4237	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR4237	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4237	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR4237	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4237	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR4237	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR4237	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4237	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4237	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4237	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR4237	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR4237	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4237	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR4237	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4237	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4237	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4237	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4237	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4237	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4237	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4237	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4237	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4237	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4237	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR4237	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4237	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4237	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR4237	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4237	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4237	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR4237	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4237	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4237	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR4237	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4237	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4237	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4237	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4237	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4237	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4237	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4237	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4237	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR4237	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4237	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR4237	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4237	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4237	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4237	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4237	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4237	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR4237	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4237	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR4237	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4237	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4237	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR4237	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4237	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR4237	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4237	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4237	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4237	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR4237	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4237	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4237	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4237	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4237	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR4237	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR4237	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4237	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4237	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4237	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4237	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4237	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4237	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR4237	NC(=O)C=C	C79061
PADEL_KR4237	O=C1CCCCCN1	C105602
PADEL_KR4237	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4237	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR4237	O=C(N(C)C)Cl	C79447
PADEL_KR4237	CN(C=O)C	C68122
PADEL_KR4237	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4237	O=C(c1ccncc1)NN	C54853
PADEL_KR4237	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4237	O=C1N(CCC1)C	C872504
PADEL_KR4237	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4237	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4237	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4237	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4237	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4237	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4237	C(=O)(N)N	C57136
PADEL_KR4237	NC(=O)OCC	C51796
PADEL_KR4237	O=C1N(C=C)CCC1	C88120
PADEL_KR4237	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4237	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4237	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4237	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4237	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4237	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR4237	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4237	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4237	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4237	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4237	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4237	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR4237	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR4237	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4237	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4237	C(=O)(N)NO	C127071
PADEL_KR4237	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR4237	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4237	O=C(N)C(=C)C	C79390
PADEL_KR4237	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4237	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4237	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR4237	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4237	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4237	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4237	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR4237	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4237	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR4237	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR4237	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4237	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR4237	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4237	O=C(C)NC	C79163
PADEL_KR4237	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4237	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4237	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4237	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR4237	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4237	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4237	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4237	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4237	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR4237	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4237	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4237	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR4237	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4237	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4237	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4237	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4237	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4237	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4237	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR4237	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4237	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4237	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4237	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4237	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4237	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4237	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4237	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4237	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4237	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4237	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4237	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4237	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4237	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4237	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4237	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4237	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4237	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4237	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4237	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4237	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4237	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4237	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR4237	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4237	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4237	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR4237	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4237	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4237	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4237	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4237	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4237	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR4237	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4237	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4237	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4237	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR4237	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4237	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4237	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4237	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4237	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4237	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4237	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4237	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR4237	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4237	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4237	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR4237	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR4237	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4237	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR4237	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR4237	C(=O)N	C75127
PADEL_KR4237	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4237	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR4237	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4237	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4237	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR4237	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4237	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4237	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR4237	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4237	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4237	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4237	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR4237	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4237	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4237	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4237	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4237	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4237	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4237	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4237	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4237	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4237	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4237	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4237	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4237	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4237	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4237	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4237	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4237	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4237	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4237	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4237	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4237	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4237	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4237	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4237	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR4237	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR4237	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4237	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4237	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4237	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4237	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4237	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR4237	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4237	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4237	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4237	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4237	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4237	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4237	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR4237	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4237	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4237	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4237	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR4237	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4237	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4237	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4237	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4237	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR4237	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4237	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR4237	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4237	O=CN1CCCCC1	C2591868
PADEL_KR4237	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4237	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR4237	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR4237	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4237	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4237	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4237	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR4237	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4237	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR4237	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4237	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4237	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4238	S=C(NCC)NCC	C105555
PADEL_KR4238	NC(=S)N	C62566
PADEL_KR4238	NNC(=S)NN	C2231574
PADEL_KR4238	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR4238	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4238	S=C(NC)NC	C534134
PADEL_KR4238	NNC(=S)NC	C6610293
PADEL_KR4238	S=C1NCCN1	C96457
PADEL_KR4238	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR4238	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR4238	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4238	CN1CN(C)CSC1=S	C533744
PADEL_KR4238	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR4238	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR4238	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR4238	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR4238	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR4238	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR4238	S=C(NCCCC)NCCCC	C109466
PADEL_KR4238	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR4238	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR4238	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR4238	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR4241	Nc1ccc(Br)cc1	C106401
PADEL_KR4241	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4241	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR4243	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4243	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4243	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4243	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR4243	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4243	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR4243	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4243	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4243	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4243	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4243	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4243	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4243	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4243	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4243	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4243	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR4243	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4243	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR4243	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4244	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4244	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4244	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4244	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4244	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4244	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4244	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4244	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR4244	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4244	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4244	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR4244	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR4244	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4244	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4245	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4245	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4245	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4245	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4245	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4245	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4246	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4246	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4246	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4246	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4246	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4246	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4247	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4247	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4247	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4247	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4247	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4247	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4247	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4247	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4247	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4247	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4247	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4247	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4247	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4247	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4247	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4247	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4247	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4247	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4247	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4247	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4247	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4247	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4247	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4247	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4248	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4248	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4249	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR4249	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4249	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4249	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4249	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR4249	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4249	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4249	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4249	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4249	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4250	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4250	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4250	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR4250	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4250	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4250	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR4250	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR4250	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4250	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4250	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR4250	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR4250	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4250	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4250	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4250	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4250	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4250	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR4250	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR4250	Nc1ccc(cc1)Cl	C106478
PADEL_KR4250	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR4250	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4250	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4250	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4250	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4250	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4250	Clc1ccc(N)cc1.Cl	C20265967
PADEL_KR4250	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4250	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PADEL_KR4250	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4250	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4250	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4250	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PADEL_KR4252	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4252	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4252	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4252	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4252	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4252	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4252	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4252	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4253	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4254	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR4254	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4254	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4254	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR4254	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4254	O(c1ccc(N)cc1)CC	C156434
PADEL_KR4254	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4254	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4254	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4254	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4254	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4254	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4254	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR4254	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4254	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4254	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4254	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4254	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4254	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4254	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4254	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4254	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4254	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4254	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR4254	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4254	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4254	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR4254	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4254	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4254	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR4254	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4254	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR4254	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4254	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4254	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4254	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR4254	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4254	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4254	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4254	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4254	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4254	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4254	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4254	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4254	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4254	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR4254	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR4254	Nc1ccc(OC)cc1	C104949
PADEL_KR4254	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4254	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4254	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR4254	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4254	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4254	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4254	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4254	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4254	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4254	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4254	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4254	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4255	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4255	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4255	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4255	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4255	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4255	Nc1cc2c(cccc2)cc1	C91598
PADEL_KR4255	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4255	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4255	Nc1ccc2cc3ccccc3cc2c1	C613138
PADEL_KR4255	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4255	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4255	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PADEL_KR4256	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4256	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4256	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4256	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4256	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4256	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR4256	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR4256	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4256	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4256	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4256	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4256	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4256	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4256	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR4256	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR4256	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4256	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR4256	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4256	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR4256	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR4256	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4256	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR4256	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR4256	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4256	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4256	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4256	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4256	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4256	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4256	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4256	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4256	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4256	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR4256	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4256	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4257	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4257	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4257	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4257	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4257	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4258	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4258	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4258	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4258	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4258	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4258	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4258	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4258	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4258	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4258	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4258	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4258	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4258	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4258	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4258	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4258	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4258	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4258	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4259	Clc1c(ccc(c1)N)C	C95749
PADEL_KR4259	Nc1cc(Cl)c(Cl)cc1	C95761
PADEL_KR4259	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4259	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4259	Nc1cc(Cl)cc(Cl)c1	C626437
PADEL_KR4259	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4259	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4259	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4259	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4259	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4259	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4259	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR4259	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4259	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR4259	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4259	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4259	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4259	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4259	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4259	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4259	Nc1c(ccc(c1)Cl)N	C95830
PADEL_KR4259	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4259	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR4259	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4259	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4259	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4259	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR4259	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4259	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4259	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR4259	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR4259	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4259	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR4259	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4259	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4259	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4259	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4259	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4259	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PADEL_KR4260	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4260	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR4260	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4260	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4260	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4260	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4260	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4260	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4260	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4260	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4260	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR4260	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4260	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4260	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4260	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4260	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4260	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR4260	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4260	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4260	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4261	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4261	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4261	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4261	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4261	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR4262	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4262	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4262	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PADEL_KR4262	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4262	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PADEL_KR4262	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4262	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4262	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4262	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4262	Nc1c2c(ccc1)c(ccc2)N	C2243621
PADEL_KR4262	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4262	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4262	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4262	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR4262	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4262	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR4264	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4264	N(C1CCCCC1)C1CCCCC1	C101837
PADEL_KR4264	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4264	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4264	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4264	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR4264	NC1CCCCC1	C108918
PADEL_KR4264	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4264	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4264	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4264	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4264	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4264	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4264	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR4264	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PADEL_KR4264	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4264	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PADEL_KR4264	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4265	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR4265	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4265	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4265	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4265	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR4265	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR4265	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4265	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4265	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4265	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4265	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR4265	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR4265	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR4265	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR4265	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4265	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4266	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR4266	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4266	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4266	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR4266	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4266	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4266	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR4266	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4266	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4267	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4267	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4267	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4267	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4267	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4267	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR4267	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4267	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4267	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4267	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4267	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4267	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4267	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4267	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4267	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4267	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4267	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4267	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PADEL_KR4267	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PADEL_KR4267	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR4267	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4267	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4267	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR4268	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4268	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4268	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4268	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR4268	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4268	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR4268	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4268	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4268	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4268	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4268	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4268	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4268	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4268	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4268	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4268	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4268	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4268	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4268	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4268	Nc1cc(ccc1OC)C	C120718
PADEL_KR4268	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR4268	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4268	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4268	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4268	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4268	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4268	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4268	Nc1c(OC)cccc1	C90040
PADEL_KR4268	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4268	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR4268	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4268	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4268	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4268	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4268	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4268	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4268	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4268	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4268	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4268	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4268	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4268	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4268	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4268	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4268	CC1COc2ccccc2N1	C32329207
PADEL_KR4268	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4269	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4269	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4269	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR4269	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4269	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4269	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR4269	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4269	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4269	Nc1cccc(C)n1	C1824813
PADEL_KR4270	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4272	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR4273	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4273	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR4273	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4274	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4274	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR4274	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PADEL_KR4274	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR4274	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PADEL_KR4274	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4274	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4274	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PADEL_KR4274	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4274	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4274	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR4274	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PADEL_KR4274	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4274	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4274	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4274	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4274	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4274	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4274	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4274	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4274	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4274	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4274	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4274	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PADEL_KR4275	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4275	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR4275	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR4275	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4277	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR4277	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR4277	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR4277	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR4277	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR4277	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR4277	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR4277	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR4279	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PADEL_KR4279	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4279	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR4279	Clc1nc(N)nc(NC(C)C)n1	C6190654
PADEL_KR4279	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PADEL_KR4279	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PADEL_KR4279	Clc1nc(nc(n1)NCC)NCC	C122349
PADEL_KR4279	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR4279	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR4279	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PADEL_KR4279	Nc1nc(N)nc(NC2CC2)n1	C66215278
PADEL_KR4279	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR4279	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR4279	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4279	Clc1nc(NCC)nc(N)n1	C1007289
PADEL_KR4279	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PADEL_KR4279	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR4279	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4279	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4279	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4279	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4279	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4279	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4279	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4279	Nc1nc(nc(n1)N)c1ccccc1	C91769
PADEL_KR4279	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4280	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR4281	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4281	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4281	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4281	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4281	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4281	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4281	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4281	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4281	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4281	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4281	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4281	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4281	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4281	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4281	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4281	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4281	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4281	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4281	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4281	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4281	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4281	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4281	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4281	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4281	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4281	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4281	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4281	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4281	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4281	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4281	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4281	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4281	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4281	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4281	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4281	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4281	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4281	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4281	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4281	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4281	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4281	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4281	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4281	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4282	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4282	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4282	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4283	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4283	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4283	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4283	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4283	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4283	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4283	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4283	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4283	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4283	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4283	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4283	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4283	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4283	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4283	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4283	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4283	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4283	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4283	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4283	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4283	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4283	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4283	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4284	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4284	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4284	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4284	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4284	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4284	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4284	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4284	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4284	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4284	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4284	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4285	C=CCN=C=S	C57067
PADEL_KR4285	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4285	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4285	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PADEL_KR4285	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4285	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR4285	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4285	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PADEL_KR4285	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4285	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR4285	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4285	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4285	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4285	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4285	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4285	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4285	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR4285	NC(=O)C=C	C79061
PADEL_KR4285	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR4285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4285	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4285	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4285	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR4285	O=C(N)C(=C)C	C79390
PADEL_KR4285	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4285	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4285	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4285	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4285	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR4285	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4285	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR4285	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4286	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4286	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4286	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4286	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4286	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4286	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4286	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4286	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4286	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4286	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4286	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4286	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4286	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4286	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4286	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4286	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4286	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4286	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4286	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4286	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4286	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4286	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4286	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4286	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4286	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4286	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR4286	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4286	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4286	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4286	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4286	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4286	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4286	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4286	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4286	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4286	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4286	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4286	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4286	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4286	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4286	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4286	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4286	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4286	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4286	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4286	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4286	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4286	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4286	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4286	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4286	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4286	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4286	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4286	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4286	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4286	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4286	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4286	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4286	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4286	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4286	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4286	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4286	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4286	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4286	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4286	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4286	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR4286	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4286	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4287	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4287	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4287	c1(O)ccccc1C(=O)N	C65452
PADEL_KR4287	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4287	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4287	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR4287	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4287	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4287	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4287	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4287	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PADEL_KR4287	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PADEL_KR4287	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4287	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4287	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4287	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR4287	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4287	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4287	Oc1ccccc1CN(C)C	C120650
PADEL_KR4287	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4287	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4287	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PADEL_KR4287	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR4287	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR4287	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4287	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR4287	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4287	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4287	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4287	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR4287	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4287	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR4287	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4287	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR4287	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4287	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4287	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4287	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4287	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4287	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4287	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4287	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4287	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4287	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4287	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4287	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4287	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4287	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4287	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4287	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4287	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4287	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR4287	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4287	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4287	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR4287	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PADEL_KR4287	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR4287	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4287	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4287	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4287	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4287	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4287	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4287	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4287	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4287	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4287	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4287	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4287	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4287	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4287	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4287	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4287	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4287	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4287	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4287	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4287	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4287	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR4287	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4287	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR4287	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4287	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4287	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4287	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4287	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4287	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4287	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4287	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4287	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4287	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4287	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4287	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4287	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4287	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4287	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4287	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4287	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4287	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4287	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4287	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4287	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR4287	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4287	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4287	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4287	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4287	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4287	NCc1cccc(CN)c1	C1477550
PADEL_KR4287	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR4287	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR4287	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4287	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4287	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4287	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4287	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PADEL_KR4287	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4287	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4287	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR4287	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4287	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4287	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PADEL_KR4287	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4287	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR4287	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PADEL_KR4287	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4287	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4287	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4287	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR4287	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4287	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4287	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4287	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR4287	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4288	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PADEL_KR4288	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4288	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4288	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4288	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4289	O=C(c1ccncc1)NN	C54853
PADEL_KR4289	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4290	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4290	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4290	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4290	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4290	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4291	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4291	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4291	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR4291	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4291	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4291	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4291	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4291	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4291	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4291	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4291	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4291	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4291	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4291	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4291	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4291	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4291	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4291	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR4291	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4291	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4291	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4292	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4292	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4292	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4292	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4292	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4292	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4292	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4293	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4293	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4293	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4293	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR4293	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4293	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4293	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4293	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4293	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4293	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4293	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4293	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR4293	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4293	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR4293	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR4293	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4293	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4293	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4293	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4293	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4293	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4293	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4293	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4293	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4293	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4293	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4293	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4293	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4293	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4293	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4293	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4293	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4293	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4293	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4293	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4293	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4293	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4293	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR4293	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4293	NCCCOCCCCCCCC	C15930662
PADEL_KR4293	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4293	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4294	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4294	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4294	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4294	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4294	OCCN1CCNCC1	C103764
PADEL_KR4294	NCCN1CCNCC1	C140318
PADEL_KR4294	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4294	N(CCN)CCN	C111400
PADEL_KR4294	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR4294	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4294	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4294	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4294	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4294	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4294	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4294	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR4294	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4294	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4294	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4294	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR4294	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4294	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR4294	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4294	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4294	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4294	NCCN.I.I	C5700492
PADEL_KR4294	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4294	S=C1NCCN1	C96457
PADEL_KR4294	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR4294	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4294	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4294	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4294	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4294	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4294	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4294	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4294	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4294	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR4294	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4294	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4294	C1CNCCN1	C110850
PADEL_KR4294	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4294	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4294	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4294	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4294	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR4294	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4294	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4294	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4294	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4294	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4294	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4294	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4294	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4294	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR4294	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4294	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4294	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4294	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR4294	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4294	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4294	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4294	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4294	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4294	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4294	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4294	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4294	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4294	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR4294	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4294	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4294	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4294	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4294	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4294	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4294	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4294	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4294	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4294	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4294	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR4294	N(CCN(C)C)(C)C	C110189
PADEL_KR4294	NCCN	C107153
PADEL_KR4294	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4294	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4294	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4294	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4294	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4294	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR4294	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4295	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4295	CC(CNCC(C)O)O	C110974
PADEL_KR4295	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4295	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4295	CN(CCO)C	C108010
PADEL_KR4295	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4295	OC(C)CN	C78966
PADEL_KR4295	OCCN1CCNCC1	C103764
PADEL_KR4295	CCNCCO	C110736
PADEL_KR4295	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4295	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4295	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4295	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4295	NC(CO)(CO)CO	C77861
PADEL_KR4295	C1COCCN1	C110918
PADEL_KR4295	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR4295	OCC(N)(C)C	C124685
PADEL_KR4295	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4295	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4295	CN1CCOCC1	C109024
PADEL_KR4295	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4295	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR4295	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4295	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR4295	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR4295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4295	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR4295	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR4295	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR4295	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR4295	NCCCN1CCOCC1	C123002
PADEL_KR4295	OCCN(CC)CCO	C139877
PADEL_KR4295	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4295	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR4295	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4295	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4295	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4295	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR4295	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR4295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4295	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4295	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4295	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4295	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR4295	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4295	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4295	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4295	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4295	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR4295	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4295	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4295	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4295	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4295	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4295	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR4295	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4295	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4295	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4295	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4295	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4295	OCCN(CCO)CCO	C102716
PADEL_KR4295	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4295	CCN(CCO)CC	C100378
PADEL_KR4295	OCCNCCO	C111422
PADEL_KR4295	OCCN	C141435
PADEL_KR4295	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4295	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4295	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4295	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4295	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR4295	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR4295	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR4295	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR4295	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4295	CCC12N(COC1)COC2	C7747355
PADEL_KR4295	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4295	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR4295	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR4295	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR4295	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4295	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4295	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4295	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4295	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4295	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4295	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4295	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4295	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4295	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4295	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4295	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4295	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4295	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4295	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4295	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4295	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4295	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4295	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4295	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4295	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4295	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4295	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4295	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR4295	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4295	NCCOCCOCCN	C929599
PADEL_KR4295	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4295	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4295	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4295	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR4295	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4295	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR4295	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4295	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4295	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4295	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4295	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4295	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4295	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4295	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4295	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR4295	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR4295	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4295	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4295	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR4295	CC1COc2ccccc2N1	C32329207
PADEL_KR4295	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4295	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4295	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4295	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR4295	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4295	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4295	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4295	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR4296	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4296	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4296	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4296	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4296	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4296	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4296	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4296	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4296	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4296	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4296	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR4296	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4296	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4296	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4296	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4296	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4296	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4296	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4296	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4299	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4301	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR4301	CN(C)N	C57147
PADEL_KR4301	CN(C(=O)N)N=O	C684935
PADEL_KR4301	CN(N=O)C	C62759
PADEL_KR4301	O=NN1CCCC1	C930552
PADEL_KR4301	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4301	NNC(=S)NN	C2231574
PADEL_KR4301	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4301	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4301	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4301	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4301	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4301	NNC(=S)NC	C6610293
PADEL_KR4301	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4301	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4301	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4301	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4301	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4301	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4301	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4301	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR4301	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4301	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4301	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4301	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR4301	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR4301	O=C(c1ccncc1)NN	C54853
PADEL_KR4301	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4301	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4301	O=NN(CCCC)CCCC	C924163
PADEL_KR4301	CCN(CC)N=O	C55185
PADEL_KR4301	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR4301	O=NN(CCC)CCC	C621647
PADEL_KR4301	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4301	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4301	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR4301	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PADEL_KR4301	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4301	NNc1ccccc1.Cl	C59881
PADEL_KR4301	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR4301	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4301	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4302	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PADEL_KR4302	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4302	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4302	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4302	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4302	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4302	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4302	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4302	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4302	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR4302	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR4302	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4302	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4302	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4302	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR4302	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4312	Nn1cnnc1	C584134
PADEL_KR4313	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4313	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4313	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4314	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4315	CN(C(=O)N)N=O	C684935
PADEL_KR4315	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4315	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4315	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4315	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4315	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4315	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4316	NNC(=S)NN	C2231574
PADEL_KR4316	NNC(=S)NC	C6610293
PADEL_KR4317	CN(C(=O)N)N=O	C684935
PADEL_KR4317	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4317	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4317	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4317	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4317	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4317	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4317	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4317	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4317	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4317	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4317	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4317	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4317	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4317	O=C(c1ccncc1)NN	C54853
PADEL_KR4317	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4317	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4317	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4317	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR4317	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4317	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4318	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR4318	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4318	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4318	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4318	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4318	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4318	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4318	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4318	N(c1ccccc1)Nc1ccccc1	C122667
PADEL_KR4318	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR4318	NNc1ccccc1.Cl	C59881
PADEL_KR4318	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PADEL_KR4320	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4320	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4320	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4320	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR4320	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4320	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4320	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4320	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4320	O=S(=O)(N)O	C5329146
PADEL_KR4320	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4320	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4320	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4320	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4320	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4320	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4320	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4320	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4320	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4320	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4320	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4320	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4320	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4320	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4320	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4320	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR4320	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4320	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4320	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4320	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4320	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4320	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4320	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4320	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4320	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4320	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4320	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4320	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4320	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4320	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4320	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4320	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4320	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4320	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4320	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4320	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4320	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4320	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4320	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4320	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4320	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4320	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4320	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4320	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4320	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4320	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4320	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4320	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4320	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4320	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4320	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4320	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4320	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4320	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4320	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4320	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4320	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4320	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4320	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4320	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4320	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4320	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4320	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4320	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4320	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4320	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4320	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4320	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4320	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4320	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR4320	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4324	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4324	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4326	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4326	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4326	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4326	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4326	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4326	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4326	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4326	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4326	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4326	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4326	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4326	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4326	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4326	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4326	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4326	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4326	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4326	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4326	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4326	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4326	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4326	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4326	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4326	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4326	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4326	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4326	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4326	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4326	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4326	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4326	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4326	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4326	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4326	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4326	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4326	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4326	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4326	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4326	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4326	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4326	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4326	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4326	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4326	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4326	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4328	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4328	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4328	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4328	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4328	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4328	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4328	O=S(=O)(N)O	C5329146
PADEL_KR4328	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4328	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4328	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4328	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4328	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4328	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4328	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4328	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4328	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4328	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4328	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4328	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR4328	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4328	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4328	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4328	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4328	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4328	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4328	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4328	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4328	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4328	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4328	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4328	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4328	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4328	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4328	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4328	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4328	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4328	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4328	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4328	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4328	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4328	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4328	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4328	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4328	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4328	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4328	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4328	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4328	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4328	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4328	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4328	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4328	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4328	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4328	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4328	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4328	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4328	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4328	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4328	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4328	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4328	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4328	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4328	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4328	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4328	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4328	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4328	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4328	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4328	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4328	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4328	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4329	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4329	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4329	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4329	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4329	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4329	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4329	O=S(=O)(N)O	C5329146
PADEL_KR4329	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4329	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4329	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4329	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4329	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4329	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4329	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4329	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4329	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4329	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4329	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4329	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR4329	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4329	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4329	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4329	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4329	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4329	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4329	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4329	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4329	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4329	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4329	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4329	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4329	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4329	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4329	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4329	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4329	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4329	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4329	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4329	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4329	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4329	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4329	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4329	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4329	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4329	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4329	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4329	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4329	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4329	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4329	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4329	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4329	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4329	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4329	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4329	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4329	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4329	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4329	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4329	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4329	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4329	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4329	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4329	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4329	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4329	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4329	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4329	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4329	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4329	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4329	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4329	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4331	CC(=O)N	C60355
PADEL_KR4331	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR4331	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4331	C=CCO	C107186
PADEL_KR4331	Nc1ccc(OC)cc1.Cl	C20265978
PADEL_KR4331	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4331	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4331	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR4331	CC(=O)OCc1ccccc1	C140114
PADEL_KR4331	CC(CNCC(C)O)O	C110974
PADEL_KR4331	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PADEL_KR4331	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4331	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4331	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR4331	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PADEL_KR4331	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PADEL_KR4331	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR4331	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4331	O=CCCl	C107200
PADEL_KR4331	ClCOC	C107302
PADEL_KR4331	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4331	[N+].c1(N(N=O)[O-])ccccc1	C135206
PADEL_KR4331	O=C1CCCCC1	C108941
PADEL_KR4331	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4331	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR4331	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR4331	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR4331	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4331	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PADEL_KR4331	CN(C)C(=O)C	C127195
PADEL_KR4331	CN(CCO)C	C108010
PADEL_KR4331	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR4331	C=CCc1ccc(cc1)OC	C140670
PADEL_KR4331	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR4331	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4331	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR4331	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4331	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4331	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR4331	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4331	OC(CO)CCl	C96242
PADEL_KR4331	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4331	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR4331	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR4331	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR4331	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR4331	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR4331	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PADEL_KR4331	COc1ccc(cc1)O	C150765
PADEL_KR4331	NC(=O)OC	C598550
PADEL_KR4331	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR4331	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR4331	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR4331	NC(=O)c1cccnc1	C98920
PADEL_KR4331	OC(=O)c1cccnc1	C59676
PADEL_KR4331	O=[N+](CC)[O-]	C79243
PADEL_KR4331	CN(C(=O)N)N=O	C684935
PADEL_KR4331	CN(N=O)C	C62759
PADEL_KR4331	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PADEL_KR4331	O=NN1CCCC1	C930552
PADEL_KR4331	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4331	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4331	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR4331	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR4331	Oc1ccc(cc1)c1ccccc1	C92693
PADEL_KR4331	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR4331	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4331	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4331	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4331	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR4331	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR4331	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4331	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR4331	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4331	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR4331	O=P(OC)(OC)OC	C512561
PADEL_KR4331	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR4331	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4331	O=CCc1ccccc1	C122781
PADEL_KR4331	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR4331	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR4331	OCCOCCOCCOCCCC	C143226
PADEL_KR4331	CCCCCCCCCC=O	C112312
PADEL_KR4331	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR4331	O=CCCCCCC	C111717
PADEL_KR4331	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR4331	CCCCCCCCC=O	C124196
PADEL_KR4331	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR4331	OC(=O)CCCC	C109524
PADEL_KR4331	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR4331	c1(O)ccccc1C(=O)N	C65452
PADEL_KR4331	CS(=O)C	C67685
PADEL_KR4331	OCCC	C71238
PADEL_KR4331	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR4331	OC(C)CN	C78966
PADEL_KR4331	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR4331	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR4331	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4331	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4331	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR4331	O=Cc1ccccc1O	C90028
PADEL_KR4331	Oc1cccc2ccccc12	C90153
PADEL_KR4331	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4331	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR4331	ON=C1CCCCC1	C100641
PADEL_KR4331	c1ccccc1Oc1ccccc1	C101848
PADEL_KR4331	OCCN1CCNCC1	C103764
PADEL_KR4331	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR4331	Oc1ccc(Cl)cc1	C106489
PADEL_KR4331	CC(O)CC(C)(C)O	C107415
PADEL_KR4331	CCCC(=O)C	C107879
PADEL_KR4331	C1CCCCC1O	C108930
PADEL_KR4331	CCCCCC(=O)C	C110430
PADEL_KR4331	C(O)C#CCO	C110656
PADEL_KR4331	CCNCCO	C110736
PADEL_KR4331	CCCCCCO	C111273
PADEL_KR4331	CCCCCCCO	C111706
PADEL_KR4331	CCCCCCCCCC(=O)C	C112129
PADEL_KR4331	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4331	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR4331	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4331	Oc1ccc(CC)cc1	C123079
PADEL_KR4331	CCCCCC(=O)OCC	C123660
PADEL_KR4331	CCCCCCCCCO	C143088
PADEL_KR4331	COc1ccc(OC)cc1	C150787
PADEL_KR4331	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR4331	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_KR4331	O=C(OC(C)(C)C)C	C540885
PADEL_KR4331	Oc1ccc(CCC)cc1	C645567
PADEL_KR4331	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR4331	C=CC(=O)OCCO	C818611
PADEL_KR4331	CC/C=C\CCO	C928961
PADEL_KR4331	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR4331	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR4331	Nc1ccc(OCCCCCC)cc1	C39905572
PADEL_KR4331	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR4331	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR4331	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PADEL_KR4331	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PADEL_KR4331	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4331	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR4331	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR4331	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR4331	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4331	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR4331	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR4331	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PADEL_KR4331	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR4331	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR4331	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR4331	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4331	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4331	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4331	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4331	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PADEL_KR4331	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PADEL_KR4331	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR4331	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR4331	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR4331	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PADEL_KR4331	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR4331	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR4331	c1(c(CC)cccc1)O	C90006
PADEL_KR4331	c1c(O)cccc1CC	C620177
PADEL_KR4331	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR4331	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PADEL_KR4331	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR4331	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR4331	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR4331	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR4331	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR4331	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PADEL_KR4331	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR4331	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4331	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4331	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4331	c1cccc(OC)c1O	C90051
PADEL_KR4331	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4331	C(=O)(O)C(C)O	C50215
PADEL_KR4331	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR4331	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4331	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR4331	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR4331	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PADEL_KR4331	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PADEL_KR4331	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR4331	C(=O)(O)CCC(=O)O	C110156
PADEL_KR4331	NC(CO)(CO)CO	C77861
PADEL_KR4331	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR4331	C[Si](=O)C	C9016006
PADEL_KR4331	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4331	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4331	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4331	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PADEL_KR4331	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR4331	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4331	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4331	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4331	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR4331	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4331	Cc1cc(O)ccc1	C108394
PADEL_KR4331	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4331	OP(=O)(O)O	C7664382
PADEL_KR4331	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PADEL_KR4331	CC(O)COC	C107982
PADEL_KR4331	[Na+].[O-]C(=O)CF	C62748
PADEL_KR4331	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR4331	O=C(N)N=NC(=O)N	C123773
PADEL_KR4331	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR4331	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR4331	ON=CCCC	C110690
PADEL_KR4331	OCCCCO	C110634
PADEL_KR4331	O=C(OCCCC)C=C	C141322
PADEL_KR4331	C(OCCCC)C1CO1	C2426086
PADEL_KR4331	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR4331	O=C/C=C/c1ccccc1	C14371109
PADEL_KR4331	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_KR4331	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR4331	C(C(=O)C)C(C)(C)O	C123422
PADEL_KR4331	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR4331	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PADEL_KR4331	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PADEL_KR4331	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR4331	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4331	O=C(CC(C)C)CC(C)C	C108838
PADEL_KR4331	N(C)(C)c1cccc(O)c1	C99070
PADEL_KR4331	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR4331	OCNC(=O)NCO	C140954
PADEL_KR4331	Cc1c(C)cccc1O	C526750
PADEL_KR4331	Cc1cc(C)cc(O)c1	C108689
PADEL_KR4331	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR4331	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR4331	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4331	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR4331	C(CC)(C=O)CCCC	C123057
PADEL_KR4331	OCC(C(O)CCC)CC	C94962
PADEL_KR4331	CCC(=CCCC)C=O	C645625
PADEL_KR4331	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR4331	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR4331	c1c(CO)occ1	C98000
PADEL_KR4331	O=CCCCC=O	C111308
PADEL_KR4331	C(=O)(O)CO	C79141
PADEL_KR4331	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR4331	C(C)(C)(O)C#N	C75865
PADEL_KR4331	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR4331	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR4331	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PADEL_KR4331	O(C(C)C)C(=O)C	C108214
PADEL_KR4331	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR4331	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR4331	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR4331	O=C(C)C=Cc1ccccc1	C122576
PADEL_KR4331	C1COCCN1	C110918
PADEL_KR4331	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR4331	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR4331	C(=O)(O)C(=O)O	C144627
PADEL_KR4331	O(c1ccc(N)cc1)CC	C156434
PADEL_KR4331	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4331	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR4331	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4331	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4331	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4331	O=C(O)CS	C68111
PADEL_KR4331	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4331	O=P(OCC)(OCC)OCC	C78400
PADEL_KR4331	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4331	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4331	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR4331	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR4331	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4331	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_KR4331	OCCc1ccccc1	C60128
PADEL_KR4331	O=C(O)c1ccccc1O	C69727
PADEL_KR4331	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4331	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR4331	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR4331	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4331	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4331	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PADEL_KR4331	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR4331	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR4331	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR4331	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR4331	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR4331	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR4331	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR4331	C[Si](C)(C)O[Si](C)(C)C	C107460
PADEL_KR4331	O=C1OCC(C)O1	C108327
PADEL_KR4331	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR4331	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR4331	O=C(OC)CCCCCCCCC	C110429
PADEL_KR4331	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR4331	O=C(C)OCCOC(=O)C	C111557
PADEL_KR4331	O=C(C)OCCOCCCC	C112072
PADEL_KR4331	OCCOCCOCCOC	C112356
PADEL_KR4331	OCCOCCOCCOCCO	C112607
PADEL_KR4331	OCC(CO)(CO)CO	C115775
PADEL_KR4331	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR4331	O=Cc1ccc(OC)cc1	C123115
PADEL_KR4331	OC(CCCCCC)C	C123966
PADEL_KR4331	OCC(N)(C)C	C124685
PADEL_KR4331	OCC(C)(C)CO	C126307
PADEL_KR4331	Oc1ccc2ccccc2c1	C135193
PADEL_KR4331	[O-]c1ccccc1.[Na+]	C139026
PADEL_KR4331	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4331	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR4331	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR4331	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4331	O=C1NCCC1	C616455
PADEL_KR4331	O=COC(C)C	C625558
PADEL_KR4331	OC(C)COc1ccccc1	C770354
PADEL_KR4331	NCCC[Si](OCC)(OCC)OCC	C919302
PADEL_KR4331	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR4331	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR4331	O=C(N(C)C)CCCCCCC	C1118929
PADEL_KR4331	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR4331	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4331	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR4331	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR4331	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR4331	OC1CCCCCCCCCCC1	C1724396
PADEL_KR4331	NCCNCCC[Si](OC)(OC)OC	C1760243
PADEL_KR4331	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR4331	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR4331	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PADEL_KR4331	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4331	OCCOCCC	C2807309
PADEL_KR4331	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR4331	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4331	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR4331	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR4331	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4331	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR4331	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PADEL_KR4331	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR4331	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4331	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4331	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4331	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4331	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR4331	CC(CO)O	C25322694
PADEL_KR4331	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR4331	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PADEL_KR4331	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4331	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR4331	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4331	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR4331	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PADEL_KR4331	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR4331	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PADEL_KR4331	BrCc1cccc(Oc2ccccc2)c1	C51632167
PADEL_KR4331	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4331	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR4331	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PADEL_KR4331	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4331	OC(CCCC(C)C)(C)CC	C78693
PADEL_KR4331	OCC1OCCC1	C97994
PADEL_KR4331	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR4331	CN1CCOCC1	C109024
PADEL_KR4331	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR4331	O=C1CCCC1	C120923
PADEL_KR4331	CCCCCC(=Cc1ccccc1)C=O	C122407
PADEL_KR4331	OC(CC(C)CC(C)C)CC(C)C	C123171
PADEL_KR4331	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4331	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4331	O=C(C=C(C)C)C	C141797
PADEL_KR4331	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PADEL_KR4331	OC(C)COCCC	C1569013
PADEL_KR4331	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PADEL_KR4331	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PADEL_KR4331	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR4331	OCC(CCC)CCCCC	C10042598
PADEL_KR4331	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR4331	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4331	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4331	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PADEL_KR4331	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4331	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4331	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4331	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR4331	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR4331	OCCC(C)CC(C)(C)C	C3452979
PADEL_KR4331	[O-][N+](=O)[O-].[K+]	C7757791
PADEL_KR4331	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR4331	OC(OCCCC)CC	C29387868
PADEL_KR4331	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PADEL_KR4331	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR4331	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4331	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4331	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4331	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PADEL_KR4331	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR4331	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR4331	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4331	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR4331	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4331	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR4331	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR4331	OCn1nc(C)cc1C	C85264331
PADEL_KR4331	OCCSCCCCCCCC	C3547339
PADEL_KR4331	Clc1c(Cl)ssc1=O	C1192525
PADEL_KR4331	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR4331	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PADEL_KR4331	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4331	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4331	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4331	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR4331	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4331	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4331	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR4331	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR4331	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PADEL_KR4331	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR4331	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR4331	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4331	OC1CCCC1	C96413
PADEL_KR4331	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4331	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR4331	CCCCCCCCCc1ccc(O)cc1	C104405
PADEL_KR4331	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4331	O=S(=O)(N)O	C5329146
PADEL_KR4331	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4331	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR4331	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4331	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PADEL_KR4331	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR4331	O=C1OC(CCCCC)CC1	C104610
PADEL_KR4331	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4331	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4331	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR4331	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4331	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4331	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4331	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4331	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR4331	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4331	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4331	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PADEL_KR4331	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR4331	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR4331	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4331	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PADEL_KR4331	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR4331	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4331	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4331	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4331	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4331	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR4331	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR4331	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PADEL_KR4331	OC(CCCCC)C=C	C3391864
PADEL_KR4331	OCCCCCCC/C=C/C=C/C	C33956499
PADEL_KR4331	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PADEL_KR4331	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR4331	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR4331	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR4331	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PADEL_KR4331	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR4331	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR4331	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PADEL_KR4331	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR4331	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR4331	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR4331	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR4331	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR4331	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PADEL_KR4331	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR4331	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR4331	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR4331	O=C(N(C)C)Nc1ccccc1	C101428
PADEL_KR4331	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4331	Oc1ccc(CCCCCCC)cc1	C1987504
PADEL_KR4331	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PADEL_KR4331	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4331	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4331	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4331	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR4331	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4331	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR4331	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PADEL_KR4331	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PADEL_KR4331	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PADEL_KR4331	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR4331	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR4331	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4331	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4331	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4331	O=C(CC)OCC	C105373
PADEL_KR4331	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4331	O=C(c1ccccc1O)C	C118934
PADEL_KR4331	O=C1OCC(CC)O1	C4437858
PADEL_KR4331	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR4331	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4331	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4331	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR4331	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4331	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR4331	CO[Si](OC)(OC)c1ccccc1	C2996921
PADEL_KR4331	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PADEL_KR4331	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR4331	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR4331	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR4331	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR4331	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4331	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR4331	OC(C)(C)C1CC=C(C)CC1	C8000417
PADEL_KR4331	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR4331	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR4331	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PADEL_KR4331	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4331	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PADEL_KR4331	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR4331	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR4331	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR4331	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR4331	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR4331	OCC(CCCCCC)CCCCCCCC	C2425776
PADEL_KR4331	CC(O)COCC	C1569024
PADEL_KR4331	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR4331	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4331	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4331	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR4331	Oc1ccccc1CN(C)C	C120650
PADEL_KR4331	O=C1CCC(O1)CC	C695067
PADEL_KR4331	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR4331	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4331	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4331	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4331	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR4331	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4331	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR4331	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR4331	O=C(Nc1ccccc1)CCl	C587655
PADEL_KR4331	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR4331	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR4331	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR4331	OC(CCCC(C)C)(C)C	C13254347
PADEL_KR4331	O=C/C=C/CCC	C6728263
PADEL_KR4331	O1C=CCCC1	C110872
PADEL_KR4331	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR4331	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4331	OC(CC(C)C)(C)C#C	C107540
PADEL_KR4331	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR4331	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR4331	OCC=Cc1ccccc1	C104541
PADEL_KR4331	O=C(N)Nc1ccc(Cl)cc1	C140385
PADEL_KR4331	O=CCC/C=C\CCCCC	C21662099
PADEL_KR4331	O=c1ccoc(CC)c1O	C4940118
PADEL_KR4331	NCCCN1CCOCC1	C123002
PADEL_KR4331	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR4331	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PADEL_KR4331	OCC[C@@H](C)CCC=C(C)C	C7540514
PADEL_KR4331	OC(CCCC(C)C=C)(C)C	C53219219
PADEL_KR4331	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR4331	O=C(CCC)OCCCCC	C540181
PADEL_KR4331	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR4331	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4331	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR4331	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR4331	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR4331	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4331	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4331	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4331	N#Cc1c(O)cccc1	C611201
PADEL_KR4331	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR4331	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR4331	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4331	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR4331	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4331	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4331	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4331	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4331	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4331	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4331	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4331	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4331	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR4331	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR4331	OP(OCC)OCC	C762049
PADEL_KR4331	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR4331	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PADEL_KR4331	OCCOCC(CC)CCCC	C1559359
PADEL_KR4331	O=C(CC)CCCCC	C106683
PADEL_KR4331	OCCN(CC)CCO	C139877
PADEL_KR4331	CCOC(OCC)OCC	C122510
PADEL_KR4331	CCO[Si](OCC)(OCC)CC	C78079
PADEL_KR4331	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR4331	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4331	O=C(CF)O	C144490
PADEL_KR4331	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR4331	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR4331	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4331	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR4331	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR4331	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR4331	Oc1cc(C(C)C)ccc1C	C499752
PADEL_KR4331	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR4331	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PADEL_KR4331	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR4331	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR4331	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4331	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR4331	CCCCCCCCCCCCN1CCOCC1	C1541817
PADEL_KR4331	OC(C)C(=O)OCCCC	C138227
PADEL_KR4331	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4331	OC(C)(C)CCCC(C)CC=O	C107755
PADEL_KR4331	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR4331	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4331	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PADEL_KR4331	Oc1c(OCC)cccc1	C94713
PADEL_KR4331	Oc1ccc(C(C)C)cc1	C99898
PADEL_KR4331	COc1ccc(CCC)cc1	C104450
PADEL_KR4331	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR4331	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR4331	CO[Si](C)(C)OC	C1112396
PADEL_KR4331	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PADEL_KR4331	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR4331	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR4331	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR4331	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR4331	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR4331	OC(CO)c1ccccc1	C93561
PADEL_KR4331	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4331	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4331	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4331	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR4331	CCO[Si](OCC)(C)OCC	C2031676
PADEL_KR4331	CCO[Si](CCCCC)(OCC)OCC	C2761242
PADEL_KR4331	CO[Si](OC)(CCC)OC	C1067250
PADEL_KR4331	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR4331	O=C(N)Nc1ccccc1	C64108
PADEL_KR4331	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4331	O=C(C)OCCCCCCCC	C112141
PADEL_KR4331	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR4331	Oc1c(C(C)C)cccc1	C88697
PADEL_KR4331	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR4331	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR4331	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4331	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PADEL_KR4331	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR4331	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4331	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR4331	Oc1cc(C(C)C)ccc1	C618451
PADEL_KR4331	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4331	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR4331	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4331	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR4331	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4331	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4331	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR4331	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4331	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR4331	OCC(CCCC)CCCCCC	C3913028
PADEL_KR4331	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR4331	Oc1cc(C(C)(C)C)ccc1	C585342
PADEL_KR4331	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR4331	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR4331	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR4331	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR4331	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4331	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR4331	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4331	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4331	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4331	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR4331	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR4331	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR4331	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR4331	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR4331	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4331	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR4331	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR4331	Oc1ccc(CCCC)cc1	C1638228
PADEL_KR4331	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4331	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR4331	O=[Cl](=O)[O-].[K+]	C3811049
PADEL_KR4331	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4331	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PADEL_KR4331	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR4331	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4331	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR4331	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR4331	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR4331	OCCOCC(C)OCCO	C9003116
PADEL_KR4331	O=C1OC(CCC)CC1	C105215
PADEL_KR4331	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR4331	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR4331	C=O	C50000
PADEL_KR4331	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR4331	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4331	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR4331	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR4331	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4331	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4331	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR4331	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4331	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR4331	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4331	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR4331	O=C(CCCCCC)c1ccccc1	C1671756
PADEL_KR4331	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR4331	O=C1CCC(CCC)CC1	C40649363
PADEL_KR4331	Nc1ccc(cc1)OCCCC	C4344552
PADEL_KR4331	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR4331	O=C(c1ccccc1)C1CCC1	C5407987
PADEL_KR4331	O=C(c1ccccc1)C(C)C	C611701
PADEL_KR4331	O=C(c1ccc(Cl)cc1)CC	C6285058
PADEL_KR4331	OC1CCC(CCCC)CC1	C70568604
PADEL_KR4331	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR4331	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR4331	O=C(c1ccccc1)C(C)(C)C	C938169
PADEL_KR4331	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR4331	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR4331	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4331	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR4331	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR4331	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR4331	OB(O)O	C10043353
PADEL_KR4331	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4331	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4331	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4331	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR4331	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4331	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR4331	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PADEL_KR4331	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4331	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4331	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4331	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PADEL_KR4331	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR4331	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR4331	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4331	C[As](=O)(C)O	C75605
PADEL_KR4331	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR4331	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4331	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR4331	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PADEL_KR4331	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR4331	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4331	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4331	O=c1ccc(=O)[nH][nH]1	C123331
PADEL_KR4331	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR4331	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4331	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4331	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4331	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4331	Oc1c(cccc1)c1ccccc1	C90437
PADEL_KR4331	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR4331	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR4331	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4331	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4331	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR4331	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4331	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PADEL_KR4331	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4331	c1ccccc1OCCO	C122996
PADEL_KR4331	CCN(CC)C(=O)c1cccc(C)c1	C134623
PADEL_KR4331	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR4331	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR4331	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PADEL_KR4331	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR4331	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR4331	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PADEL_KR4331	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4331	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR4331	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PADEL_KR4331	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PADEL_KR4331	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR4331	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4331	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4331	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR4331	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PADEL_KR4331	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4331	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4331	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4331	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR4331	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4331	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4331	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4331	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR4331	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR4331	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4331	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR4331	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR4331	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4331	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4331	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR4331	ClCCP(=O)(O)O	C16672870
PADEL_KR4331	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR4331	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4331	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4331	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PADEL_KR4331	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR4331	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4331	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4331	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4331	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4331	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR4331	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4331	NP(=O)(OC)SC	C10265926
PADEL_KR4331	OCCOC	C109864
PADEL_KR4331	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4331	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR4331	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4331	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR4331	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4331	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PADEL_KR4331	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4331	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR4331	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4331	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PADEL_KR4331	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR4331	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR4331	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR4331	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4331	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR4331	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR4331	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4331	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4331	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR4331	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PADEL_KR4331	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR4331	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4331	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4331	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR4331	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR4331	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4331	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PADEL_KR4331	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4331	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR4331	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PADEL_KR4331	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4331	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4331	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4331	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4331	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR4331	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR4331	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR4331	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4331	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR4331	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4331	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4331	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR4331	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR4331	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4331	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4331	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR4331	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4331	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4331	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4331	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4331	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4331	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PADEL_KR4331	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR4331	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR4331	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR4331	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4331	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR4331	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR4331	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR4331	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PADEL_KR4331	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR4331	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4331	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4331	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4331	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR4331	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PADEL_KR4331	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4331	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR4331	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4331	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4331	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4331	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4331	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4331	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4331	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4331	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR4331	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR4331	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR4331	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4331	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4331	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4331	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR4331	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4331	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR4331	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4331	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR4331	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4331	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4331	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4331	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4331	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4331	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR4331	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR4331	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4331	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4331	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PADEL_KR4331	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR4331	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4331	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR4331	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR4331	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4331	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4331	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4331	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PADEL_KR4331	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4331	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR4331	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR4331	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR4331	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4331	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4331	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4331	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR4331	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4331	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PADEL_KR4331	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR4331	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PADEL_KR4331	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR4331	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4331	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4331	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4331	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4331	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4331	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4331	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4331	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4331	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4331	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4331	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4331	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4331	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4331	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PADEL_KR4331	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR4331	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4331	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4331	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4331	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR4331	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4331	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4331	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4331	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4331	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR4331	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR4331	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR4331	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4331	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4331	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4331	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PADEL_KR4331	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR4331	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4331	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4331	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4331	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4331	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PADEL_KR4331	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR4331	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR4331	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4331	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR4331	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR4331	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4331	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR4331	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4331	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4331	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4331	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR4331	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4331	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR4331	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR4331	NC(=O)C=C	C79061
PADEL_KR4331	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR4331	C/C=C/c1ccc(cc1)OC	C4180238
PADEL_KR4331	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4331	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4331	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR4331	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4331	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR4331	OC(=O)c1ccccc1	C65850
PADEL_KR4331	OCc1ccccc1	C100516
PADEL_KR4331	OCC(CO)(CBr)CBr	C3296900
PADEL_KR4331	ClCCOCCCl	C111444
PADEL_KR4331	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4331	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4331	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4331	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR4331	C(c1ccc(O)cc1)(C)(C)C	C98544
PADEL_KR4331	O=C1CCCO1	C96480
PADEL_KR4331	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PADEL_KR4331	O=C1CCCCCN1	C105602
PADEL_KR4331	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4331	Oc1c(cccc1)O	C120809
PADEL_KR4331	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4331	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4331	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR4331	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4331	O=C(c1ccccc1)CCl	C532274
PADEL_KR4331	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4331	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PADEL_KR4331	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4331	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4331	O=c1oc2c(cccc2)cc1	C91645
PADEL_KR4331	Nc1cc(ccc1OC)C	C120718
PADEL_KR4331	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4331	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4331	OC(=O)C(Cl)Cl	C79436
PADEL_KR4331	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR4331	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR4331	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR4331	OCCOCCO	C111466
PADEL_KR4331	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR4331	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PADEL_KR4331	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4331	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR4331	O=C(N(C)C)Cl	C79447
PADEL_KR4331	CN(C=O)C	C68122
PADEL_KR4331	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4331	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR4331	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR4331	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR4331	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4331	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR4331	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4331	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PADEL_KR4331	C(CO)O	C107211
PADEL_KR4331	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR4331	CCC(CCCC)CO	C104767
PADEL_KR4331	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR4331	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR4331	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR4331	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR4331	O=Cc1ccco1	C98011
PADEL_KR4331	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR4331	OCC(O)CO	C56815
PADEL_KR4331	OCC1CO1	C556525
PADEL_KR4331	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR4331	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4331	Oc1ccc(cc1)O	C123319
PADEL_KR4331	Oc1cccc2cccnc12	C148243
PADEL_KR4331	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR4331	O=C(c1ccncc1)NN	C54853
PADEL_KR4331	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR4331	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR4331	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4331	CS(=O)(=O)OC	C66273
PADEL_KR4331	O=C1N(CCC1)C	C872504
PADEL_KR4331	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4331	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR4331	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR4331	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4331	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4331	O=N[O-].[Na+]	C7632000
PADEL_KR4331	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4331	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4331	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR4331	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR4331	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR4331	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4331	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4331	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4331	O=NN(CCCC)CCCC	C924163
PADEL_KR4331	CCN(CC)N=O	C55185
PADEL_KR4331	O=NN(c1ccccc1)c1ccccc1	C86306
PADEL_KR4331	O=NN(CCC)CCC	C621647
PADEL_KR4331	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PADEL_KR4331	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4331	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR4331	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4331	Oc1ccccc1	C108952
PADEL_KR4331	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4331	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4331	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR4331	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4331	O=S1(=O)CCCO1	C1120714
PADEL_KR4331	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4331	CC(CO)O	C57556
PADEL_KR4331	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR4331	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR4331	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4331	Oc1cc(ccc1)O	C108463
PADEL_KR4331	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR4331	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4331	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR4331	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4331	OC(=O)C=CC=CC	C110441
PADEL_KR4331	C1C(c2ccccc2)O1	C96093
PADEL_KR4331	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR4331	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4331	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PADEL_KR4331	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PADEL_KR4331	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4331	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR4331	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR4331	OCCN(CCO)CCO	C102716
PADEL_KR4331	OCCOCCOCCO	C112276
PADEL_KR4331	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR4331	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR4331	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4331	C(=O)(N)N	C57136
PADEL_KR4331	NC(=O)OCC	C51796
PADEL_KR4331	O=C1N(C=C)CCC1	C88120
PADEL_KR4331	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4331	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4331	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR4331	OC(=O)CCC	C107926
PADEL_KR4331	CCCCOCCOCCO	C112345
PADEL_KR4331	Oc1ccccc1Cl	C95578
PADEL_KR4331	CCCCCCCCCC(=O)O	C334485
PADEL_KR4331	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR4331	O=C(O)CCCCCC	C111148
PADEL_KR4331	OC(=O)CCCCC(=O)O	C124049
PADEL_KR4331	CCCCCC(=O)O	C142621
PADEL_KR4331	CCCCCCCCC(=O)O	C112050
PADEL_KR4331	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR4331	CCCCCCCC=O	C124130
PADEL_KR4331	CCCCCCCC(=O)O	C124072
PADEL_KR4331	CCCCC=O	C110623
PADEL_KR4331	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR4331	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4331	C(c1ccc(cc1)O)(CC)(C)C	C80466
PADEL_KR4331	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4331	Oc1c(C)cccc1	C95487
PADEL_KR4331	CCC(=NO)C	C96297
PADEL_KR4331	c1ccccc1C(=O)C	C98862
PADEL_KR4331	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR4331	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR4331	CCN(CCO)CC	C100378
PADEL_KR4331	Oc1c(C)cc(C)cc1	C105679
PADEL_KR4331	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR4331	Oc1ccc(C)cc1	C106445
PADEL_KR4331	ClCCO	C107073
PADEL_KR4331	CC(=O)OCCOCC	C111159
PADEL_KR4331	OCCNCCO	C111422
PADEL_KR4331	CCCCCCCCO	C111875
PADEL_KR4331	CCOCCOCCO	C111900
PADEL_KR4331	CCCCCCCCCCO	C112301
PADEL_KR4331	CCCCCCCCCCCCCO	C112709
PADEL_KR4331	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_KR4331	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4331	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR4331	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4331	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR4331	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4331	OCCN	C141435
PADEL_KR4331	Oc1c(C)cc(C)cc1C	C527606
PADEL_KR4331	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4331	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4331	Oc1c(C)c(C)ccc1C	C2416946
PADEL_KR4331	Oc1ccc(CCCCCCCC)cc1	C1806264
PADEL_KR4331	c1(c(O)cccc1)C(CC)C	C89725
PADEL_KR4331	c1(ccc(cc1)O)C(CC)C	C99718
PADEL_KR4331	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR4331	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4331	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4331	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4331	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR4331	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR4331	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4331	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PADEL_KR4331	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4331	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4331	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR4331	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR4331	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4331	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4331	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR4331	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR4331	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR4331	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR4331	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4331	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4331	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4331	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR4331	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR4331	O=N(=O)c1ccc(C)cc1	C99990
PADEL_KR4331	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4331	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR4331	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PADEL_KR4331	Nc1c(OC)cccc1	C90040
PADEL_KR4331	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR4331	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4331	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4331	O=S(=O)(OCC)OCC	C64675
PADEL_KR4331	CP(=O)(OC(C)C)OC(C)C	C1445756
PADEL_KR4331	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR4331	O=S(=O)(OC)OC	C77781
PADEL_KR4331	Oc1cc(C)c(C)cc1	C95658
PADEL_KR4331	Oc1c(cccc1C)C	C576261
PADEL_KR4331	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR4331	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR4331	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4331	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR4331	CCOCCO	C110805
PADEL_KR4331	CCCCOCCO	C111762
PADEL_KR4331	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PADEL_KR4331	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4331	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR4331	O=C=NCCCCCCN=C=O	C822060
PADEL_KR4331	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR4331	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4331	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR4331	OCCOCCOCCOCC	C112505
PADEL_KR4331	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR4331	ON=CC(C)(C)SC	C1646759
PADEL_KR4331	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4331	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4331	Oc1c(ccc(N)c1)C	C2835952
PADEL_KR4331	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR4331	O(CCOC)CCOC	C111966
PADEL_KR4331	[O-][N+](=O)C(CO)(CO)Br	C52517
PADEL_KR4331	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR4331	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR4331	O=CC=C(C)CCC=C(C)C	C5392405
PADEL_KR4331	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4331	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR4331	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PADEL_KR4331	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR4331	O(OC(C)(C)C)C(C)(C)C	C110054
PADEL_KR4331	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4331	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4331	OC(CCl)CCl	C96231
PADEL_KR4331	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR4331	O(CCOC)CCO	C111773
PADEL_KR4331	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4331	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PADEL_KR4331	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR4331	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PADEL_KR4331	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR4331	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR4331	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR4331	Oc1c(ccc(C)c1)C	C95874
PADEL_KR4331	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR4331	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR4331	O=C(O)C(CCCC)CC	C149575
PADEL_KR4331	C(=O)(N)NO	C127071
PADEL_KR4331	C(CC(C)C)OC(=O)C	C123922
PADEL_KR4331	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR4331	o1c(C)c(O)c(=O)cc1	C118718
PADEL_KR4331	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR4331	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR4331	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR4331	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR4331	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR4331	O=c1ccsn1CCCCCCCC	C26530201
PADEL_KR4331	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR4331	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR4331	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4331	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR4331	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR4331	O=C=Nc1cc(N=C=O)ccc1C	C584849
PADEL_KR4331	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PADEL_KR4331	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR4331	C(OCCOC)COCCOC	C112492
PADEL_KR4331	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PADEL_KR4331	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR4331	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PADEL_KR4331	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4331	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR4331	Oc1c(C(C)(C)C)cccc1	C88186
PADEL_KR4331	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PADEL_KR4331	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR4331	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PADEL_KR4331	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PADEL_KR4331	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR4331	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR4331	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR4331	OCCC(C)CCC=C(C)C	C106229
PADEL_KR4331	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR4331	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR4331	OCCC(O)C	C107880
PADEL_KR4331	OC(CC(C)C)C	C108112
PADEL_KR4331	O=C(OC)CCCCCCC	C111115
PADEL_KR4331	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR4331	OCCOCCCCCC	C112254
PADEL_KR4331	OCCCCCCCCCCC	C112425
PADEL_KR4331	OCCCCCCCCCCCC	C112538
PADEL_KR4331	OCCCCCCCCCCCCCC	C112721
PADEL_KR4331	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR4331	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PADEL_KR4331	OCC(CO)([N+](=O)[O-])CO	C126114
PADEL_KR4331	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR4331	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PADEL_KR4331	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PADEL_KR4331	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PADEL_KR4331	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR4331	O=C(C)OCCCCC	C628637
PADEL_KR4331	OCCCCCCCCCCCCCCC	C629765
PADEL_KR4331	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR4331	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR4331	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4331	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PADEL_KR4331	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4331	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR4331	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4331	OC(OC(O)CC)CC	C25265718
PADEL_KR4331	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4331	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR4331	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR4331	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4331	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR4331	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR4331	OC(OCCCOC)CC	C34590948
PADEL_KR4331	OCCCCCCCCCCCCCCCC	C36653824
PADEL_KR4331	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4331	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4331	O=C(OC)CC(=O)OC	C108598
PADEL_KR4331	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR4331	CCC12N(COC1)COC2	C7747355
PADEL_KR4331	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR4331	O=C(N)C(=C)C	C79390
PADEL_KR4331	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4331	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4331	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PADEL_KR4331	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR4331	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4331	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4331	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4331	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4331	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4331	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PADEL_KR4331	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR4331	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR4331	O=Cc1ccccc1C=O	C643798
PADEL_KR4331	O=c1[nH]sc2c1cccc2	C2634335
PADEL_KR4331	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR4331	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4331	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4331	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4331	O=c1n(C)sc(Cl)c1	C26172554
PADEL_KR4331	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR4331	Oc1cc(C)ccc1C(C)C	C89838
PADEL_KR4331	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR4331	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4331	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR4331	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4331	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR4331	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4331	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4331	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4331	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4331	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4331	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4331	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4331	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PADEL_KR4331	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4331	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR4331	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR4331	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR4331	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4331	O=C(CCC)OCC	C105544
PADEL_KR4331	O=C(OCC)CCCCCC	C106309
PADEL_KR4331	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4331	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR4331	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4331	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4331	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4331	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR4331	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR4331	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR4331	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PADEL_KR4331	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PADEL_KR4331	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PADEL_KR4331	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR4331	O=C(CCC)OCCC(C)C	C106274
PADEL_KR4331	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR4331	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_KR4331	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR4331	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR4331	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4331	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR4331	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4331	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4331	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PADEL_KR4331	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PADEL_KR4331	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PADEL_KR4331	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PADEL_KR4331	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4331	O=C(C)NC	C79163
PADEL_KR4331	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4331	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4331	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4331	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4331	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4331	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR4331	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR4331	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4331	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4331	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4331	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR4331	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4331	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4331	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4331	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4331	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PADEL_KR4331	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR4331	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4331	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4331	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4331	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4331	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PADEL_KR4331	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4331	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4331	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4331	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4331	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4331	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4331	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4331	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR4331	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4331	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4331	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR4331	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4331	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4331	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4331	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4331	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PADEL_KR4331	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4331	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR4331	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4331	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4331	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4331	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4331	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4331	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4331	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4331	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR4331	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4331	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR4331	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4331	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4331	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PADEL_KR4331	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4331	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4331	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4331	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4331	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4331	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4331	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4331	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PADEL_KR4331	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4331	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4331	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4331	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PADEL_KR4331	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4331	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR4331	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4331	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4331	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4331	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4331	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4331	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR4331	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PADEL_KR4331	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4331	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4331	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PADEL_KR4331	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PADEL_KR4331	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PADEL_KR4331	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4331	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4331	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PADEL_KR4331	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4331	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PADEL_KR4331	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4331	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4331	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4331	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4331	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4331	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PADEL_KR4331	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PADEL_KR4331	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4331	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4331	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4331	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4331	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4331	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4331	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4331	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4331	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR4331	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4331	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4331	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR4331	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR4331	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4331	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4331	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PADEL_KR4331	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR4331	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4331	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4331	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR4331	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4331	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4331	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR4331	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4331	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4331	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR4331	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR4331	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR4331	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PADEL_KR4331	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4331	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4331	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4331	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR4331	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR4331	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4331	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR4331	C(=O)N	C75127
PADEL_KR4331	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4331	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR4331	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR4331	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR4331	[Na+].[O-][Cl]=O	C7758192
PADEL_KR4331	OCCCBr	C627189
PADEL_KR4331	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PADEL_KR4331	C(=O)(C)O	C64197
PADEL_KR4331	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PADEL_KR4331	C(CO)C(C)C	C123513
PADEL_KR4331	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4331	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PADEL_KR4331	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4331	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4331	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4331	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR4331	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4331	NCCOCCOCCN	C929599
PADEL_KR4331	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PADEL_KR4331	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4331	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4331	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4331	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR4331	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR4331	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4331	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4331	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4331	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4331	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4331	O=[Si]=O	C7631869
PADEL_KR4331	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4331	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4331	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4331	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR4331	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4331	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4331	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4331	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4331	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4331	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4331	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4331	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4331	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4331	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4331	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4331	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4331	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4331	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4331	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4331	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4331	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4331	OCCC(OC)C	C2517433
PADEL_KR4331	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR4331	O=CCC(C)CCC=C(C)C	C106230
PADEL_KR4331	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4331	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4331	O=COCC	C109944
PADEL_KR4331	O=C(OCC)c1ccccc1	C93890
PADEL_KR4331	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4331	O=CCCCCCCCCC/C=C\CCCC	C53939289
PADEL_KR4331	O=CCCSC	C3268493
PADEL_KR4331	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PADEL_KR4331	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4331	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4331	CC(=O)OCC	C141786
PADEL_KR4331	CC(=O)OCCCC	C123864
PADEL_KR4331	CC(=O)CCC(C)C	C110123
PADEL_KR4331	CC(=O)CC(C)C	C108101
PADEL_KR4331	CC(C)C=O	C78842
PADEL_KR4331	CCCCCC=O	C66251
PADEL_KR4331	CCCC=O	C123728
PADEL_KR4331	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR4331	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR4331	CCC1CO1	C106887
PADEL_KR4331	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR4331	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4331	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4331	O=[N+](c1cnc(s1)N)[O-]	C121664
PADEL_KR4331	CC1CC(=O)O1	C3068880
PADEL_KR4331	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR4331	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR4331	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4331	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4331	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR4331	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4331	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR4331	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4331	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR4331	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR4331	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR4331	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR4331	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4331	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PADEL_KR4331	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PADEL_KR4331	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR4331	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR4331	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4331	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PADEL_KR4331	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR4331	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR4331	O=C(CCl)CCl	C534076
PADEL_KR4331	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR4331	CC(=O)C(=O)O	C127173
PADEL_KR4331	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR4331	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR4331	CN(C)c1ccc(C=O)cc1	C100107
PADEL_KR4331	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR4331	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR4331	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4331	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR4331	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4331	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR4331	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR4331	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR4331	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4331	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4331	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR4331	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4331	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR4331	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR4331	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR4331	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4331	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PADEL_KR4331	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4331	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4331	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4331	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR4331	Nc1ccc(OC)cc1	C104949
PADEL_KR4331	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR4331	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR4331	O=CC=CC=CCCCCC	C25152845
PADEL_KR4331	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR4331	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4331	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4331	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR4331	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR4331	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR4331	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR4331	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4331	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR4331	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR4331	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4331	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR4331	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4331	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR4331	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4331	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4331	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4331	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4331	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4331	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR4331	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR4331	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PADEL_KR4331	OCC=C(C)C	C556821
PADEL_KR4331	ClC(=O)C(CC)CCCC	C760678
PADEL_KR4331	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR4331	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR4331	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR4331	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4331	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR4331	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4331	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR4331	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4331	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4331	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PADEL_KR4331	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR4331	OCc1c[nH]c2c1cccc2	C700061
PADEL_KR4331	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR4331	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4331	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4331	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR4331	O=c1cc(C)o[nH]1	C10004441
PADEL_KR4331	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR4331	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR4331	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR4331	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR4331	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR4331	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR4331	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR4331	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR4331	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4331	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR4331	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4331	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4331	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4331	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4331	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR4331	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4331	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR4331	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR4331	Oc1ccc(cc1)Nc1ccccc1	C122372
PADEL_KR4331	O=CCCCCCCCCC=C	C112458
PADEL_KR4331	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PADEL_KR4331	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4331	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4331	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR4331	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4331	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4331	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4331	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PADEL_KR4331	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR4331	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR4331	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4331	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4331	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR4331	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4331	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR4331	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR4331	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4331	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4331	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4331	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR4331	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR4331	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR4331	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR4331	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4331	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4331	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PADEL_KR4331	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR4331	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PADEL_KR4331	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PADEL_KR4331	O=C1CC(C)(C)NC(C)(C)C1	C826368
PADEL_KR4331	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4331	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4331	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4331	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4331	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR4331	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4331	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR4331	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4331	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4331	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4331	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4331	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR4331	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR4331	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4331	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4331	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4331	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4331	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4331	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR4331	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR4331	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PADEL_KR4331	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PADEL_KR4331	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4331	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR4331	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR4331	O=[As]c1ccccc1	C637036
PADEL_KR4331	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR4331	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PADEL_KR4331	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR4331	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4331	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR4331	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4331	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR4331	O=CN1CCCCC1	C2591868
PADEL_KR4331	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR4331	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR4331	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PADEL_KR4331	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4331	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR4331	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR4331	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PADEL_KR4331	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR4331	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR4331	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR4331	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR4331	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR4331	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4331	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4331	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4331	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR4331	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4331	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR4331	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR4331	O=C(OCCCCO)C=C	C2478106
PADEL_KR4331	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4331	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4331	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PADEL_KR4331	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR4331	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR4331	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR4331	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4331	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4331	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4331	NCCCOCCCCCCCC	C15930662
PADEL_KR4331	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4331	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR4331	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR4331	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR4331	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR4331	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR4331	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PADEL_KR4331	CC1COc2ccccc2N1	C32329207
PADEL_KR4331	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR4331	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4331	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR4331	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR4331	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR4331	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4331	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR4331	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR4331	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR4331	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4331	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4331	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR4331	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4331	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4331	O=C/C=C/CCCCCCC	C3913813
PADEL_KR4331	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR4331	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR4331	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR4331	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR4331	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR4331	O=C(C)c1cc2c(cc1)CCCC2	C774550
PADEL_KR4331	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR4331	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR4331	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR4331	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4331	CC/C=C\CCOC(OCC)C	C28069741
PADEL_KR4331	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4331	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4331	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR4331	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR4331	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4331	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4331	Cl[In](Cl)Cl.O.O	C143983919
PADEL_KR4331	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR4331	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4331	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PADEL_KR4331	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PADEL_KR4331	CCCCCCCCCC(C)C=O	C110418
PADEL_KR4331	O=COCc1ccc(OC)cc1	C122918
PADEL_KR4331	CCC(=O)C(=O)CC	C4437518
PADEL_KR4331	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR4331	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4336	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4336	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4336	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR4336	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR4336	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4336	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4336	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR4336	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR4336	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PADEL_KR4336	c1ccccc1C(=O)c1ccccc1	C119619
PADEL_KR4336	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4336	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR4336	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4336	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4336	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4336	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR4336	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4336	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4336	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4336	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4339	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4339	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4339	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4341	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PADEL_KR4347	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4349	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR4356	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR4356	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR4356	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR4356	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR4359	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PADEL_KR4360	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR4360	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR4361	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4361	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4361	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4361	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4368	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR4368	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR4368	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR4368	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4368	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR4368	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4373	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4373	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4373	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR4373	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR4383	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR4384	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR4384	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR4384	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR4384	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR4384	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR4384	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4385	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4386	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4386	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4386	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4386	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4387	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4387	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4387	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4387	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR4387	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR4388	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4388	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4388	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4388	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4388	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4390	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4392	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4392	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4394	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR4394	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR4394	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR4394	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR4394	O=c1oc2c(cccc2)cc1	C91645
PADEL_KR4394	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR4394	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR4394	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR4394	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR4396	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4396	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4396	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4397	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PADEL_KR4398	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4398	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR4398	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR4398	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR4398	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR4398	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR4398	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR4398	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4398	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR4398	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4398	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR4398	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR4398	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR4398	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PADEL_KR4398	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4398	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4398	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4398	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR4398	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR4398	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR4398	CC1(CC(=CC(=O)C1)C)C	C78591
PADEL_KR4398	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4398	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4398	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4398	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR4398	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR4398	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4398	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4398	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4398	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR4399	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR4399	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR4399	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR4399	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR4399	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR4399	O=C1CCCC1	C120923
PADEL_KR4399	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4399	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR4399	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4399	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR4408	O=C1CCCCC1	C108941
PADEL_KR4408	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR4408	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR4408	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR4408	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR4408	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4408	O=C1CCC(C2CCCCC2)CC1	C92682
PADEL_KR4408	O=C1C(C(CC)C)CCCC1	C14765301
PADEL_KR4408	O=C1CCC(C(C)(C)C)CC1	C98533
PADEL_KR4408	O=C1CCC(C(CC)(C)C)CC1	C16587716
PADEL_KR4408	O=C1CCC(CCC)CC1	C40649363
PADEL_KR4408	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4408	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4408	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4409	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PADEL_KR4409	O=C1CCCCCN1	C105602
PADEL_KR4409	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR4410	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR4410	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR4410	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PADEL_KR4410	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR4410	O=c1oc2c(cccc2)cc1	C91645
PADEL_KR4410	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR4410	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PADEL_KR4410	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PADEL_KR4410	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR4411	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4411	O=C1NCCC1	C616455
PADEL_KR4411	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4411	O=C1N(CCCCCCCC)CCC1	C2687947
PADEL_KR4411	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4411	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4411	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4411	O=C1N(CCC1)C	C872504
PADEL_KR4411	O=C1N(C=C)CCC1	C88120
PADEL_KR4411	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PADEL_KR4411	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PADEL_KR4412	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4413	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4413	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR4413	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR4413	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4413	O=C1OC(CCCCC)CC1	C104610
PADEL_KR4413	O=C1CCC(O1)CC	C695067
PADEL_KR4413	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR4413	O=C1OC(CCC)CC1	C105215
PADEL_KR4413	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4413	O=C1CCCO1	C96480
PADEL_KR4413	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR4413	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4413	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4413	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR4414	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4416	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR4416	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4416	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR4416	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR4416	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR4416	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR4416	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR4416	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR4416	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4417	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4418	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR4418	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PADEL_KR4418	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR4418	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR4418	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR4418	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR4418	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR4418	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR4418	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR4418	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR4421	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PADEL_KR4429	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4432	O=C1C=CC(=O)N1c1ccccc1	C941695
PADEL_KR4432	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4432	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4432	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4432	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PADEL_KR4436	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4440	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4440	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4440	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4440	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4440	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4440	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4440	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4440	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4440	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4451	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4452	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4452	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4452	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4452	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4452	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4452	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4452	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4452	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4452	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4453	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR4453	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PADEL_KR4453	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PADEL_KR4453	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4453	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PADEL_KR4453	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR4453	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PADEL_KR4455	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4457	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4457	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4459	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4459	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4460	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4460	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4460	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4462	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4464	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4464	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4464	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4464	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4464	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4470	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR4470	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4470	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4470	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR4470	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4470	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4470	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4470	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4470	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4470	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR4471	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4471	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4471	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR4471	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR4472	C(=O)(O)C(=O)O	C144627
PADEL_KR4472	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4472	CC(=O)C(=O)O	C127173
PADEL_KR4472	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR4472	CCC(=O)C(=O)CC	C4437518
PADEL_KR4479	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4479	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR4479	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4479	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR4479	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4479	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR4479	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR4479	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR4479	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR4479	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR4479	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR4479	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4479	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4479	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4479	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR4479	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4479	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR4479	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4481	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4484	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4484	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4484	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4484	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4484	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4484	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4484	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4485	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4485	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4485	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4485	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4485	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4485	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4485	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4485	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4485	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4485	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4485	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4486	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4487	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4487	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4489	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4489	O=C(C)c1cc2ccccc2cc1	C93083
PADEL_KR4489	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4489	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4489	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4490	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4490	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PADEL_KR4490	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR4490	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4490	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4490	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR4490	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4490	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4490	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4490	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4490	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4491	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4491	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4491	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4491	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4491	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4491	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4492	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4492	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4492	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4492	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PADEL_KR4492	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR4492	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PADEL_KR4492	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR4492	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR4492	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4492	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4492	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4492	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4492	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4492	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4492	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4492	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4492	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4492	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4492	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4492	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4492	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4492	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR4492	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4494	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4494	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4495	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR4495	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PADEL_KR4495	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PADEL_KR4495	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PADEL_KR4495	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR4495	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR4495	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4495	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR4495	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4495	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR4495	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PADEL_KR4495	O=C(C1CCCCC1)c1ccccc1	C712505
PADEL_KR4495	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR4495	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4495	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4495	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4495	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4495	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4495	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR4495	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4495	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4495	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4495	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR4496	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PADEL_KR4496	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4496	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4496	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4496	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4496	O=C1c2c(cccc2)C(=O)N1	C85416
PADEL_KR4496	O=C1c2c(cccc2)C(=O)N1C	C550447
PADEL_KR4496	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4496	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4496	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4496	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4496	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4496	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4496	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PADEL_KR4496	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PADEL_KR4496	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4496	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4496	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4496	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4496	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4496	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4496	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4496	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4496	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4496	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4496	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4496	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PADEL_KR4496	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4496	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4496	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4496	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4496	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4496	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4496	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4496	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4496	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4496	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4496	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4496	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4496	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4496	O=Cc1ccccc1C=O	C643798
PADEL_KR4496	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4496	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4496	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4496	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4496	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PADEL_KR4496	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PADEL_KR4496	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4496	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR4496	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4496	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR4497	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4497	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4497	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4497	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4497	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4497	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4497	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4497	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4497	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4497	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4497	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4497	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4497	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4497	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4497	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4497	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4498	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR4498	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR4498	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR4498	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR4498	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR4498	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PADEL_KR4498	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PADEL_KR4499	NC(=O)c1cccnc1	C98920
PADEL_KR4499	OC(=O)c1cccnc1	C59676
PADEL_KR4499	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4499	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4499	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4499	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4499	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4499	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR4499	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4499	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PADEL_KR4499	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4499	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4499	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PADEL_KR4499	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4499	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4499	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4499	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4499	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4499	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR4500	O=Cc1ccco1	C98011
PADEL_KR4500	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4501	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4501	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PADEL_KR4501	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4501	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4502	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4503	O=C(c1ccncc1)NN	C54853
PADEL_KR4503	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4504	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR4509	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4509	N#CC(Br)(C(=O)N)Br	C10222012
PADEL_KR4509	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4512	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR4512	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR4512	O=C(N(C)C)CC(=O)C	C2044646
PADEL_KR4512	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4512	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4512	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4512	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR4512	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4512	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4512	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4512	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4512	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4512	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4512	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4512	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR4512	O=C(OC)CC(=O)OC	C108598
PADEL_KR4512	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4512	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4512	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR4512	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4512	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR4512	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR4512	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4512	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4515	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR4515	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR4516	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR4516	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4516	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR4516	O=CCc1ccccc1	C122781
PADEL_KR4516	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR4516	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4516	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PADEL_KR4516	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4516	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4516	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR4516	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4516	O=C(c1ccccc1)Cc1ccccc1	C451401
PADEL_KR4516	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4516	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4516	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4516	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4516	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4516	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4516	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4516	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4516	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4516	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4516	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PADEL_KR4516	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4516	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PADEL_KR4516	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4516	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4516	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4516	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4516	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4516	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4516	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4516	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4516	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4516	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PADEL_KR4516	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4516	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4516	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4516	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4516	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4516	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR4516	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4516	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4516	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PADEL_KR4516	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PADEL_KR4516	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PADEL_KR4517	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4519	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4519	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4519	C(=O)(O)CCC(=O)O	C110156
PADEL_KR4519	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR4519	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4519	O=C1C2C(CC=CC2)C(=O)N1	C85405
PADEL_KR4519	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4519	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4519	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4519	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4519	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4519	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4519	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4519	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4519	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4519	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4519	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4519	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PADEL_KR4519	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4519	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4519	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4519	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4519	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4519	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4519	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR4519	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4519	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR4519	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4519	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4519	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4519	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4519	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4519	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4519	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4519	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4519	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4519	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR4520	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4520	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4521	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4521	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4521	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4521	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4521	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4521	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PADEL_KR4521	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR4521	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4521	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR4521	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PADEL_KR4521	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4521	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4521	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4521	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4521	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4521	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR4521	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4521	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4521	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR4521	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4521	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4521	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4521	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4521	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4521	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4521	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4521	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4521	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4521	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4521	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4521	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PADEL_KR4521	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PADEL_KR4521	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR4521	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PADEL_KR4521	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PADEL_KR4521	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4521	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4522	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4522	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4522	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR4522	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PADEL_KR4522	O=CCCCC=O	C111308
PADEL_KR4522	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4522	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4522	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4522	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PADEL_KR4522	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4522	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4522	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4522	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4522	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4522	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4522	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4522	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4522	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR4522	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4522	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4522	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4522	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4522	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4522	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4522	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4522	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4522	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR4522	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4523	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR4523	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PADEL_KR4523	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PADEL_KR4523	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4523	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4523	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4523	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4523	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4523	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4523	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4523	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4523	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4523	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4523	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4524	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR4524	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR4524	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR4524	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4524	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4524	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR4524	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR4524	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR4524	OC(=O)CCCCC(=O)O	C124049
PADEL_KR4524	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR4524	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR4524	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR4524	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR4524	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR4524	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4524	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR4524	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4524	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4525	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4525	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4525	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4525	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4525	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4525	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4525	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4531	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4531	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4531	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4531	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PADEL_KR4531	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4531	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PADEL_KR4531	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4531	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4531	O=C1NC(=O)C(N1)(CC)C	C5394365
PADEL_KR4531	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4531	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4531	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4531	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4531	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PADEL_KR4531	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PADEL_KR4531	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4531	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4531	CC1(C)NC(=O)NC1=O	C77714
PADEL_KR4531	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4531	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4531	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4531	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PADEL_KR4531	O=C1NC(=O)C(N1CO)(C)C	C116256
PADEL_KR4531	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PADEL_KR4531	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4531	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4531	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4531	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4531	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4531	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4531	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4531	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PADEL_KR4531	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4531	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4531	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4533	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4533	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4533	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4533	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4533	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4533	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4533	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4533	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4533	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4533	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4533	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4537	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PADEL_KR4537	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PADEL_KR4537	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PADEL_KR4537	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4537	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4538	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4538	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4538	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PADEL_KR4539	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4539	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4539	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PADEL_KR4539	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4539	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PADEL_KR4539	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PADEL_KR4539	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4539	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PADEL_KR4539	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PADEL_KR4539	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4539	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR4539	O=CN1CCCCC1	C2591868
PADEL_KR4540	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4541	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4541	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4541	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4541	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4542	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4542	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4542	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4543	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4545	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4545	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4547	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4547	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4547	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4550	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4550	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4551	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4551	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4552	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PADEL_KR4552	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4552	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4552	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4552	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4552	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4552	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PADEL_KR4552	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4556	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4557	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4557	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4557	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4557	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4557	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4557	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4557	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PADEL_KR4558	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4559	O=C1C(NC(=O)N1)NC(=O)N	C97596
PADEL_KR4559	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PADEL_KR4559	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PADEL_KR4559	O=C1NC2NC(=O)NC2N1	C496468
PADEL_KR4559	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PADEL_KR4559	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PADEL_KR4559	O=C(NCNC(=O)C=C)C=C	C110269
PADEL_KR4560	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4571	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4572	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PADEL_KR4573	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PADEL_KR4573	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PADEL_KR4573	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4579	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PADEL_KR4579	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4579	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PADEL_KR4581	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4581	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4581	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4581	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4581	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4581	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4581	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4581	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4581	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4581	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4581	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4581	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4581	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4581	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4581	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4581	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4581	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4581	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4581	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4581	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4581	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4581	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4581	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4581	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4581	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4581	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4581	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4581	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4581	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4581	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4581	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4581	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4581	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4581	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4581	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4581	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4581	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4583	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR4583	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4583	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4583	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4583	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4583	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4583	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4583	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR4583	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4583	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4583	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4583	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4583	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4583	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4583	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4583	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4583	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4583	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4583	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4583	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR4583	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4583	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4583	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4583	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4583	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4583	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR4584	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4584	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4584	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4586	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4586	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR4586	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4586	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4586	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR4586	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR4589	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4589	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4589	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4589	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4589	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4589	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4589	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4589	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4589	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4589	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4589	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4589	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4591	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4591	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4591	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4591	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4591	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4591	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4591	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4591	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4591	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4591	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR4591	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4591	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4591	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4591	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR4591	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4591	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4591	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4591	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4591	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR4591	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4591	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4591	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4591	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4591	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR4591	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR4591	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4591	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4591	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4591	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR4591	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4591	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4591	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4591	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4591	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4591	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4591	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4591	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4591	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR4591	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR4591	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4591	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4591	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR4591	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR4591	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR4591	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4591	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4591	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4591	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4591	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4591	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4591	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR4591	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4591	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4591	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4591	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4591	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4591	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4591	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4591	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4591	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4591	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4591	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4591	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4591	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4591	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4591	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4591	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4591	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4591	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4591	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR4591	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR4591	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR4591	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4591	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4591	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4591	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4591	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4591	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4591	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4591	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4591	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4591	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4591	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4591	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4591	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4591	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4591	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4591	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4591	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4591	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4591	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4591	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4591	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4591	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4591	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4591	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4591	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4591	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4591	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4591	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4591	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4591	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4591	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4591	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR4591	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4591	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4591	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4591	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4591	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4591	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4591	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4591	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4591	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR4591	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4591	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR4591	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4594	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4598	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4599	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4600	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4602	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4602	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4602	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4602	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4606	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR4608	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4608	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4610	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4610	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR4610	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR4610	C=CC(=O)OCCO	C818611
PADEL_KR4610	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR4610	O=C(OCCCC)C=C	C141322
PADEL_KR4610	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR4610	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR4610	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4610	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4610	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4610	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR4610	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4610	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR4610	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR4610	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR4610	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR4610	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR4610	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4610	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR4610	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4610	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4610	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4610	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR4610	OC(=O)C=CC=CC	C110441
PADEL_KR4610	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR4610	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR4610	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR4610	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4610	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4610	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4610	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4610	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4610	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4610	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4610	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR4610	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4610	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4610	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR4610	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR4610	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR4610	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4610	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR4610	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR4610	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4610	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR4610	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR4610	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR4610	O=C(OCCCCO)C=C	C2478106
PADEL_KR4610	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR4610	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4610	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4610	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4610	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR4610	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4610	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4612	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR4612	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR4612	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR4612	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4612	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4620	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4620	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4622	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4622	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4622	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4622	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4622	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4622	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4622	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4623	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4623	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4623	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4623	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4623	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4623	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4623	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4623	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4623	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4623	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4623	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4624	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4624	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4625	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4625	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4625	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4625	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4625	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4625	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4625	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4625	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4625	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4625	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4628	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4628	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR4629	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4633	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR4633	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4633	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR4633	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR4633	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR4633	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR4633	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR4633	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4633	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4633	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR4633	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4633	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4633	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4633	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR4633	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR4633	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4633	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4633	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4633	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR4633	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR4633	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR4635	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4635	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4635	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4638	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4639	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4640	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4640	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR4640	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4640	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4640	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR4640	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4640	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4640	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4640	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4644	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4645	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR4645	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4645	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR4645	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4645	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4645	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4645	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4645	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR4645	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR4645	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR4645	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR4645	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR4645	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR4645	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4645	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4645	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR4645	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR4645	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4645	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4645	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4645	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4645	O=C(O)c1ccccc1O	C69727
PADEL_KR4645	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR4645	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR4645	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4645	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4645	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR4645	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4645	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4645	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR4645	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4645	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4645	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4645	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR4645	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4645	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4645	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4645	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4645	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR4645	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4645	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4645	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4645	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR4645	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4645	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR4645	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4645	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4645	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR4645	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4645	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR4645	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4645	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR4645	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4645	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR4645	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR4645	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR4645	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR4645	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4645	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4645	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4645	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4645	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4645	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4645	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR4645	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR4645	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR4645	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4645	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4645	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4645	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4645	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4645	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4645	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4645	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR4645	OC(=O)c1ccccc1	C65850
PADEL_KR4645	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4645	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4645	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4645	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4645	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4645	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4645	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4645	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4645	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4645	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR4645	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4645	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4645	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4645	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR4645	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR4645	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4645	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4645	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4645	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR4645	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4645	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR4645	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR4645	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4645	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4645	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR4645	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4645	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4645	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4645	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4645	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4645	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4645	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR4645	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR4645	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4645	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4645	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4645	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4645	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4645	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4645	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR4645	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR4645	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4645	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4645	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR4645	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR4645	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4645	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4645	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4645	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4645	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4645	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4645	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4645	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4645	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4645	O=C(OCC)c1ccccc1	C93890
PADEL_KR4645	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR4645	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4645	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4645	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR4645	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR4645	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR4645	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4645	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4645	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4645	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4645	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR4645	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR4645	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR4645	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR4645	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR4645	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4645	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR4645	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR4645	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR4646	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4646	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4646	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4646	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4646	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4646	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4646	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4646	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4646	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4646	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4646	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4646	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4646	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4646	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4646	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4646	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4646	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4646	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4646	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4646	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4646	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4646	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4646	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4646	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4646	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4646	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4646	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4647	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4647	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4647	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4647	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4647	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4647	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4647	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4647	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4647	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4647	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4647	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4647	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4647	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4647	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4647	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4647	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4647	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4647	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4647	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4647	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4647	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4647	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4647	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4647	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4647	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4647	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4647	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4647	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4647	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4650	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4650	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4650	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR4650	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4650	O=C(O)c1ccccc1O	C69727
PADEL_KR4650	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4650	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4650	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4650	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4650	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4650	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4650	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4650	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4650	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4650	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR4650	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4653	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4657	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR4657	O=C(OC)CC(=O)OC	C108598
PADEL_KR4659	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4659	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR4659	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4659	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR4659	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4659	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4659	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4659	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4659	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4659	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4659	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4659	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4659	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4659	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4659	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4659	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4659	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4659	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4659	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4661	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4661	C(=O)(O)CCC(=O)O	C110156
PADEL_KR4661	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4661	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4661	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4661	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4661	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4661	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4661	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4661	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4661	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4661	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4661	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4661	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4661	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR4661	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4661	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR4661	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4661	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4661	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4661	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4661	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4661	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4661	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4663	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4663	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4663	C(=O)(O)CCC(=O)O	C110156
PADEL_KR4663	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR4663	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4663	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4663	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4663	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4663	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4663	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4663	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4663	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4663	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4663	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4663	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4663	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4663	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4663	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4663	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4663	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR4663	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4663	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR4663	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4663	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4663	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4663	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4663	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4663	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4663	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4663	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4663	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4663	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR4664	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4664	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4665	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4665	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4665	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4665	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4665	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4665	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR4665	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4665	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4665	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4665	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4665	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4665	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4665	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4665	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4665	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4665	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4665	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4666	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4666	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4666	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4666	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4666	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4666	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4666	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4666	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4666	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR4666	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4666	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4666	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4666	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4666	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4666	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR4666	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4667	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4667	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4667	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4667	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4667	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4667	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4667	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4667	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4667	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4667	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR4667	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4667	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4667	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4667	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4667	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4667	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4667	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR4667	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4668	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR4668	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR4668	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR4668	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4668	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4668	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR4668	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR4668	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR4668	OC(=O)CCCCC(=O)O	C124049
PADEL_KR4668	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR4668	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR4668	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR4668	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR4668	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR4668	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4668	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR4668	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4669	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4671	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4671	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4671	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4675	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4676	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4676	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4676	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4676	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4678	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4678	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4678	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4678	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4678	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4678	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4678	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4678	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4678	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4678	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4678	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4679	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4679	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4680	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4681	O=C(O)CS	C68111
PADEL_KR4681	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4681	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4681	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4681	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4681	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4681	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4681	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4681	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4681	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4681	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4681	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4682	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4682	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4682	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4682	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4688	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4688	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4689	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4689	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4689	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4689	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4691	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4691	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4692	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4692	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4692	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4692	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4692	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4692	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4692	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4692	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4692	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4692	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4692	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4695	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PADEL_KR4695	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4695	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4695	CC(=O)OCc1ccccc1	C140114
PADEL_KR4695	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR4695	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4695	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4695	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR4695	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4695	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4695	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4695	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PADEL_KR4695	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4695	O=C(Nc1ccccc1)OC(C)C	C122429
PADEL_KR4695	NC(=O)OC	C598550
PADEL_KR4695	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PADEL_KR4695	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR4695	OC(=O)c1cccnc1	C59676
PADEL_KR4695	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR4695	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4695	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR4695	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR4695	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR4695	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4695	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4695	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR4695	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR4695	CCCCCCCCCCCC(=O)O	C143077
PADEL_KR4695	OC(=O)CCCCCCCCCCCCCCC	C57103
PADEL_KR4695	O=C(O)CCCCCCCC(=O)O	C123999
PADEL_KR4695	OC(=O)CCCC	C109524
PADEL_KR4695	O=C(O)CCCCCCCCCCCCC	C544638
PADEL_KR4695	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4695	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4695	CCOC(=O)CC(=O)OCC	C105533
PADEL_KR4695	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4695	CCCCCC(=O)OCC	C123660
PADEL_KR4695	n1c(C(=O)O)cccc1C(=O)O	C499832
PADEL_KR4695	O=C(OC(C)(C)C)C	C540885
PADEL_KR4695	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR4695	C=CC(=O)OCCO	C818611
PADEL_KR4695	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4695	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PADEL_KR4695	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR4695	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR4695	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR4695	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR4695	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR4695	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR4695	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4695	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PADEL_KR4695	C(=O)(O)C(C)O	C50215
PADEL_KR4695	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4695	C(=O)(O)CCC(=O)O	C110156
PADEL_KR4695	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4695	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4695	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4695	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR4695	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4695	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4695	[Na+].[O-]C(=O)CF	C62748
PADEL_KR4695	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR4695	O=C(OCCCC)C=C	C141322
PADEL_KR4695	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4695	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR4695	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4695	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR4695	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR4695	C(=O)(O)CO	C79141
PADEL_KR4695	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR4695	O(C(C)C)C(=O)C	C108214
PADEL_KR4695	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PADEL_KR4695	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PADEL_KR4695	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PADEL_KR4695	C(=O)(O)C(=O)O	C144627
PADEL_KR4695	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4695	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4695	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4695	O=C(O)CS	C68111
PADEL_KR4695	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4695	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4695	O=C(O)c1ccccc1O	C69727
PADEL_KR4695	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4695	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PADEL_KR4695	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PADEL_KR4695	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR4695	O=C(C)OCC(CC)CCCC	C103093
PADEL_KR4695	O=C1OCC(C)O1	C108327
PADEL_KR4695	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PADEL_KR4695	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PADEL_KR4695	O=C(OC)CCCCCCCCC	C110429
PADEL_KR4695	O=C(O)CCCCCCCCC(=O)O	C111206
PADEL_KR4695	O=C(C)OCCOC(=O)C	C111557
PADEL_KR4695	O=C(C)OCCOCCCC	C112072
PADEL_KR4695	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR4695	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR4695	O=COC(C)C	C625558
PADEL_KR4695	O=C(N)[O-].[NH4+]	C1111780
PADEL_KR4695	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PADEL_KR4695	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR4695	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR4695	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4695	O=C([O-])C(CC)CCCC.[K+]	C3164850
PADEL_KR4695	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR4695	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR4695	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4695	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR4695	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4695	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4695	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR4695	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4695	O=C(O)C(CC)(C)CCC(C)C	C26896208
PADEL_KR4695	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PADEL_KR4695	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4695	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR4695	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4695	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR4695	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4695	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PADEL_KR4695	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4695	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR4695	O=C(C)OCCC(C)C(CC)CC	C108419336
PADEL_KR4695	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4695	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PADEL_KR4695	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4695	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4695	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4695	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4695	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR4695	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR4695	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR4695	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4695	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4695	O=C1OC(CCCCC)CC1	C104610
PADEL_KR4695	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4695	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4695	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4695	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4695	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4695	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR4695	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4695	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4695	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4695	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR4695	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR4695	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR4695	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4695	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4695	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PADEL_KR4695	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR4695	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4695	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4695	O=C(CC)OCC	C105373
PADEL_KR4695	O=C1OCC(CC)O1	C4437858
PADEL_KR4695	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR4695	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4695	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4695	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4695	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR4695	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4695	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PADEL_KR4695	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4695	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR4695	O=C1CCC(O1)CC	C695067
PADEL_KR4695	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR4695	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4695	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4695	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR4695	O=C(CC(C)C)OCC(C)CC	C2445774
PADEL_KR4695	O=C(C)OCC/C=C\CC	C3681718
PADEL_KR4695	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PADEL_KR4695	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PADEL_KR4695	O=C(CCC)OCCCCC	C540181
PADEL_KR4695	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4695	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR4695	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4695	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR4695	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR4695	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4695	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR4695	O=C(CF)O	C144490
PADEL_KR4695	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR4695	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR4695	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4695	O=C(CCC)OCCCCCCC	C5870939
PADEL_KR4695	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR4695	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4695	OC(C)C(=O)OCCCC	C138227
PADEL_KR4695	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4695	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR4695	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR4695	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PADEL_KR4695	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4695	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR4695	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4695	O=C(C)OCCCCCCCC	C112141
PADEL_KR4695	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PADEL_KR4695	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4695	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR4695	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR4695	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PADEL_KR4695	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR4695	O=C(CCCCCCCCC=C)OCC	C692864
PADEL_KR4695	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PADEL_KR4695	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PADEL_KR4695	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4695	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PADEL_KR4695	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4695	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PADEL_KR4695	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PADEL_KR4695	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4695	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR4695	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR4695	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4695	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PADEL_KR4695	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR4695	O=C1OC(CCC)CC1	C105215
PADEL_KR4695	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PADEL_KR4695	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4695	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR4695	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4695	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4695	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4695	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4695	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PADEL_KR4695	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR4695	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR4695	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR4695	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR4695	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4695	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR4695	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4695	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4695	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4695	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4695	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4695	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PADEL_KR4695	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4695	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4695	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4695	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PADEL_KR4695	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4695	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PADEL_KR4695	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4695	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR4695	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4695	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4695	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4695	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4695	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PADEL_KR4695	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR4695	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR4695	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4695	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4695	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PADEL_KR4695	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4695	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4695	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4695	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PADEL_KR4695	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4695	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4695	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4695	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PADEL_KR4695	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4695	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4695	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4695	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4695	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4695	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PADEL_KR4695	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR4695	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4695	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR4695	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4695	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PADEL_KR4695	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4695	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PADEL_KR4695	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR4695	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4695	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4695	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PADEL_KR4695	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR4695	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4695	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4695	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4695	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PADEL_KR4695	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4695	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4695	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR4695	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PADEL_KR4695	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4695	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR4695	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR4695	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4695	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4695	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR4695	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PADEL_KR4695	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PADEL_KR4695	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4695	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4695	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4695	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4695	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4695	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4695	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4695	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4695	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PADEL_KR4695	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PADEL_KR4695	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4695	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4695	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PADEL_KR4695	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4695	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4695	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4695	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4695	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR4695	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4695	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4695	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR4695	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4695	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4695	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4695	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4695	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR4695	OC(=O)c1ccccc1	C65850
PADEL_KR4695	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4695	O=C1CCCO1	C96480
PADEL_KR4695	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4695	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4695	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4695	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4695	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4695	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4695	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4695	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4695	OC(=O)C(Cl)Cl	C79436
PADEL_KR4695	CC1CC(OC(O1)C)OC(=O)C	C828002
PADEL_KR4695	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4695	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4695	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PADEL_KR4695	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR4695	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PADEL_KR4695	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PADEL_KR4695	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4695	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4695	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4695	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4695	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4695	CC(=O)O[Hg]c1ccccc1	C62384
PADEL_KR4695	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4695	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4695	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR4695	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4695	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4695	OC(=O)C=CC=CC	C110441
PADEL_KR4695	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4695	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR4695	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PADEL_KR4695	NC(=O)OCC	C51796
PADEL_KR4695	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4695	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR4695	OC(=O)CCC	C107926
PADEL_KR4695	CCCCCCCCCC(=O)O	C334485
PADEL_KR4695	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR4695	O=C(O)CCCCCC	C111148
PADEL_KR4695	OC(=O)CCCCC(=O)O	C124049
PADEL_KR4695	CCCCCC(=O)O	C142621
PADEL_KR4695	CCCCCCCCC(=O)O	C112050
PADEL_KR4695	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PADEL_KR4695	CCCCCCCC(=O)O	C124072
PADEL_KR4695	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4695	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PADEL_KR4695	CC(=O)OCCOCC	C111159
PADEL_KR4695	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4695	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4695	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4695	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR4695	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR4695	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4695	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4695	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4695	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4695	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PADEL_KR4695	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4695	C(=O)(O)C(CCC)CCC	C99661
PADEL_KR4695	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4695	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4695	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4695	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4695	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR4695	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PADEL_KR4695	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4695	C(CCCC(=O)OC)C(=O)OC	C627930
PADEL_KR4695	COC(=O)CCCC(=O)OC	C1119400
PADEL_KR4695	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR4695	O=C(O)C(CCCC)CC	C149575
PADEL_KR4695	C(CC(C)C)OC(=O)C	C123922
PADEL_KR4695	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR4695	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR4695	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR4695	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4695	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR4695	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4695	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR4695	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR4695	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PADEL_KR4695	O=C(OC)CCCCCCC	C111115
PADEL_KR4695	O=C(OC)CCCCCCCCCCC	C111820
PADEL_KR4695	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR4695	O=C(C)OCCCCC	C628637
PADEL_KR4695	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR4695	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4695	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PADEL_KR4695	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4695	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4695	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PADEL_KR4695	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR4695	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PADEL_KR4695	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4695	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4695	O=C(OC)CC(=O)OC	C108598
PADEL_KR4695	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4695	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4695	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4695	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4695	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4695	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR4695	O=C(O)CCCCCCCCC=C	C112389
PADEL_KR4695	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR4695	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PADEL_KR4695	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4695	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4695	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4695	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4695	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR4695	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR4695	O=C(CCC)OCC	C105544
PADEL_KR4695	O=C(OCC)CCCCCC	C106309
PADEL_KR4695	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR4695	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4695	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4695	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PADEL_KR4695	O=C(CCC)OCCC(C)C	C106274
PADEL_KR4695	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4695	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4695	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4695	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PADEL_KR4695	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PADEL_KR4695	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4695	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4695	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4695	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PADEL_KR4695	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4695	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4695	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PADEL_KR4695	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4695	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4695	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PADEL_KR4695	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4695	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PADEL_KR4695	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4695	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4695	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4695	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PADEL_KR4695	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4695	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PADEL_KR4695	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4695	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4695	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4695	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4695	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4695	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4695	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4695	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4695	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PADEL_KR4695	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR4695	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR4695	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR4695	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4695	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4695	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR4695	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4695	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4695	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR4695	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4695	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR4695	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4695	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4695	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PADEL_KR4695	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR4695	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR4695	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4695	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4695	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4695	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4695	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR4695	C(=O)(C)O	C64197
PADEL_KR4695	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4695	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4695	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PADEL_KR4695	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4695	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4695	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4695	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4695	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4695	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4695	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4695	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4695	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4695	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4695	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4695	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4695	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4695	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4695	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4695	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4695	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR4695	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4695	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4695	O=COCC	C109944
PADEL_KR4695	O=C(OCC)c1ccccc1	C93890
PADEL_KR4695	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4695	CC(=O)OCC	C141786
PADEL_KR4695	CC(=O)OCCCC	C123864
PADEL_KR4695	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR4695	CC1CC(=O)O1	C3068880
PADEL_KR4695	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR4695	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR4695	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR4695	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4695	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4695	CC(=O)C(=O)O	C127173
PADEL_KR4695	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR4695	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4695	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4695	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PADEL_KR4695	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR4695	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4695	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4695	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR4695	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR4695	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR4695	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4695	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR4695	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4695	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4695	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PADEL_KR4695	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR4695	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR4695	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR4695	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR4695	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4695	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PADEL_KR4695	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4695	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PADEL_KR4695	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PADEL_KR4695	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR4695	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR4695	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR4695	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4695	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PADEL_KR4695	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4695	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4695	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4695	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR4695	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4695	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR4695	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4695	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4695	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR4695	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PADEL_KR4695	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4695	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4695	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4695	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4695	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR4695	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4695	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4695	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4695	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PADEL_KR4695	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR4695	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PADEL_KR4695	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR4695	O=C(CC(=O)C)OC(C)(C)C	C1694311
PADEL_KR4695	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR4695	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR4695	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR4695	O=C(OC)CCCC(=O)O	C1501275
PADEL_KR4695	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4695	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR4695	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR4695	O=C(OCCCCO)C=C	C2478106
PADEL_KR4695	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4695	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR4695	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4695	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4695	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4695	O=C(O)CCCCCCCCCC(=O)O	C1852046
PADEL_KR4695	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PADEL_KR4695	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR4695	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR4695	O=C([O-])c1cnccc1.[Na+]	C54864
PADEL_KR4695	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PADEL_KR4695	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4695	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PADEL_KR4695	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PADEL_KR4695	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR4695	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR4695	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PADEL_KR4695	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR4695	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4695	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PADEL_KR4695	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4695	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4695	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4695	O=COCc1ccc(OC)cc1	C122918
PADEL_KR4695	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4698	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR4698	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4698	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4698	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR4698	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR4698	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR4698	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4698	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR4698	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4705	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PADEL_KR4705	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PADEL_KR4705	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR4707	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4707	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4707	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4707	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4707	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4708	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4708	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4709	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR4709	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR4709	Brc1ccc(Oc2ccccc2)cc1	C101553
PADEL_KR4709	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PADEL_KR4709	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4709	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR4709	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4709	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4710	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR4710	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4710	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4710	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4713	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4713	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4717	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR4717	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4717	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4717	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4717	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4717	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR4717	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR4717	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR4717	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR4717	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4717	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR4717	O=Cc1ccc(OC)cc1	C123115
PADEL_KR4717	O=C(c1ccc(O)cc1)C	C99934
PADEL_KR4717	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PADEL_KR4717	O=C(CBr)c1ccc(O)cc1	C2491385
PADEL_KR4717	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4717	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4717	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4717	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4717	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR4717	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4717	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4717	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4717	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4717	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4717	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4717	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR4717	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR4717	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4717	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4717	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4717	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4717	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4717	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4717	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4717	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4717	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4717	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4717	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4717	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PADEL_KR4717	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4717	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4717	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4717	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4717	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4717	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4717	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4717	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR4717	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR4717	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR4717	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4717	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4718	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4718	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4718	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4718	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4718	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4718	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4718	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4718	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4718	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4718	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4718	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4718	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4718	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4718	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4718	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4719	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4719	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4719	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4719	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4719	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4719	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4719	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4719	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4719	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4719	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4719	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4719	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4719	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4719	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR4719	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4719	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4719	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4719	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR4719	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR4719	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4719	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4719	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4719	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4719	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4719	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4719	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4720	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4720	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4720	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4720	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4720	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4720	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4720	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4720	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4720	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4720	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4720	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4722	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PADEL_KR4723	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4723	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4723	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4723	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4723	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4723	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4724	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4724	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4725	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4725	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4725	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4725	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4725	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4725	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4725	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4725	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4725	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4725	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4728	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4728	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PADEL_KR4728	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4728	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4728	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4728	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PADEL_KR4728	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4728	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4728	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4728	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4728	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PADEL_KR4728	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4729	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4729	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR4729	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4729	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR4729	Oc1ccc(Cl)cc1	C106489
PADEL_KR4729	c1(c(ccc(c1)Cl)O)C	C1570645
PADEL_KR4729	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR4729	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4729	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4729	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4729	Oc1cc(C)c(Cl)c(C)c1	C88040
PADEL_KR4729	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4729	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4729	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4729	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4729	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4729	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR4729	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4729	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4729	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR4729	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4729	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4729	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR4729	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4729	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR4729	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR4729	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR4729	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4729	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4729	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4729	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR4729	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4729	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR4729	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR4729	Oc1cc(C)c(Cl)cc1	C59507
PADEL_KR4729	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR4729	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4729	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4729	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4729	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4729	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR4729	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR4729	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4729	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4729	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4729	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4729	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4729	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR4729	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4729	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4730	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4732	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4732	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4732	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4732	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4732	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4732	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4733	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4733	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR4733	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4733	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4733	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4733	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4733	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4733	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4733	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4733	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR4733	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4733	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR4733	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4733	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR4733	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4733	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR4733	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR4733	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR4733	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR4733	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR4733	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4733	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4733	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR4734	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4734	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4734	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4734	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PADEL_KR4734	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4734	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4734	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4734	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PADEL_KR4734	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4734	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4734	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4735	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4735	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4735	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4735	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4735	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4735	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4735	c1(ccc(cc1)O)NC(=O)C	C103902
PADEL_KR4735	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4735	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PADEL_KR4735	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4735	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4735	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PADEL_KR4735	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4736	COc1ccc(cc1)O	C150765
PADEL_KR4736	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PADEL_KR4736	COc1ccc(OC)cc1	C150787
PADEL_KR4736	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4736	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4736	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4736	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4736	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PADEL_KR4736	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4736	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4736	Oc1ccc(OCCCCCC)cc1	C18979550
PADEL_KR4736	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4736	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4736	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR4736	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4736	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4736	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4736	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4736	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR4736	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4736	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4736	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4736	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4736	CC(C)(C)c1cc(O)ccc1O	C1948330
PADEL_KR4736	Oc1ccc(cc1)O	C123319
PADEL_KR4736	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4736	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4736	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4736	Oc1ccc(cc1C(C)(C)C)OC	C121006
PADEL_KR4736	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PADEL_KR4736	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PADEL_KR4736	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4736	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4736	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4736	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4736	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4736	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4736	c1ccccc1Oc1ccc(O)cc1	C831823
PADEL_KR4736	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4736	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4736	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4736	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4736	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4736	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PADEL_KR4736	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4738	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR4738	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR4738	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PADEL_KR4738	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR4738	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR4738	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR4738	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR4738	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR4738	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PADEL_KR4740	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4740	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4740	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR4740	Oc1ccc2ccccc2c1	C135193
PADEL_KR4740	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4740	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4740	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PADEL_KR4740	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4740	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4740	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4740	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR4740	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4740	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR4740	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4740	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4740	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR4740	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4746	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4747	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4747	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4747	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4747	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4747	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4747	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4747	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PADEL_KR4747	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4747	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4747	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4747	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4747	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4747	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4747	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR4747	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4747	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PADEL_KR4747	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4747	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4747	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PADEL_KR4747	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4747	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4747	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4747	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4747	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4747	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4747	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4747	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4748	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4748	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4749	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4749	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4751	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PADEL_KR4751	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PADEL_KR4751	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PADEL_KR4751	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PADEL_KR4751	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4751	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4751	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4751	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PADEL_KR4752	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PADEL_KR4752	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4752	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PADEL_KR4752	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PADEL_KR4752	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PADEL_KR4752	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PADEL_KR4752	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4752	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4752	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4752	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4752	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PADEL_KR4752	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4752	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PADEL_KR4752	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4752	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4752	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4752	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4752	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4752	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4752	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4752	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4752	Oc1c(ccc(c1)O)CCCCCC	C136776
PADEL_KR4752	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4752	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR4752	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4752	Oc1cc(ccc1)O	C108463
PADEL_KR4752	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4752	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4752	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4752	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4752	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4752	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4752	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4752	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4752	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4752	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4752	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4752	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PADEL_KR4752	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4752	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4752	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4752	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4752	CCCCCc1cc(O)cc(O)c1	C500663
PADEL_KR4752	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4752	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PADEL_KR4752	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4752	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4752	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4752	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4752	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4753	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4753	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4753	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4753	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4753	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4753	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4753	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4753	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4753	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4753	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4754	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4754	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PADEL_KR4754	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR4754	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4754	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR4754	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PADEL_KR4754	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR4754	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4754	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PADEL_KR4754	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR4754	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR4754	OC1CCCC1	C96413
PADEL_KR4754	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PADEL_KR4754	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4754	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PADEL_KR4754	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PADEL_KR4754	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PADEL_KR4754	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4754	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR4754	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PADEL_KR4754	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR4754	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4754	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR4754	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR4754	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR4754	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR4754	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4754	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4754	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4754	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR4754	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR4754	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR4754	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4754	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR4754	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4754	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR4754	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4754	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4754	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR4754	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR4754	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PADEL_KR4754	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR4754	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4754	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR4755	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4755	Oc1cccc2ccccc12	C90153
PADEL_KR4755	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4755	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4755	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4755	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4755	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4755	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PADEL_KR4755	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4755	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4755	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PADEL_KR4755	Oc1cc2c(cccc2)c2ccccc12	C484173
PADEL_KR4755	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4756	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR4756	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4756	Oc1cccc2cccnc12	C148243
PADEL_KR4757	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PADEL_KR4757	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PADEL_KR4757	CC1(C)OC2(C)CCC1CC2	C470826
PADEL_KR4757	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4757	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PADEL_KR4757	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PADEL_KR4757	C1CCCCC1O	C108930
PADEL_KR4757	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR4757	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4757	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4757	OC1CCC(C(C)(C)C)CC1	C98522
PADEL_KR4757	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR4757	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4757	OC1CC(CCC1C(C)C)C	C1490046
PADEL_KR4757	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PADEL_KR4757	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PADEL_KR4757	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4757	OC1CCC(C(CC)(C)C)CC1	C5349519
PADEL_KR4757	OC1CCC(C2CCCCC2)CC1	C2433149
PADEL_KR4757	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4757	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PADEL_KR4757	OC1CC(C)(C)CC(C)C1	C116029
PADEL_KR4757	OC1C2(C)CCC(C1(C)C)C2	C1632731
PADEL_KR4757	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PADEL_KR4757	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PADEL_KR4757	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4757	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4757	CC(C1CCC(CC1)OC)(CC)C	C199584388
PADEL_KR4757	OC1CCC(CCCC)CC1	C70568604
PADEL_KR4757	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR4757	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4757	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR4757	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4757	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PADEL_KR4757	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PADEL_KR4757	O1C2C1CCC(C2)C1CO1	C106876
PADEL_KR4757	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4757	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4757	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4757	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR4757	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PADEL_KR4757	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4757	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4757	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PADEL_KR4757	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4757	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4757	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR4757	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PADEL_KR4757	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PADEL_KR4757	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PADEL_KR4757	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PADEL_KR4757	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR4758	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR4758	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR4758	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4758	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4758	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4758	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4758	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4758	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4758	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4758	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4758	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4758	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4758	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4758	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4759	Oc1c(Br)cc(Br)cc1Br	C118796
PADEL_KR4759	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4759	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4759	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PADEL_KR4759	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PADEL_KR4759	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4759	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR4759	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4759	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4759	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR4759	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4760	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PADEL_KR4760	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4760	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4760	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4761	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PADEL_KR4763	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4763	c1(O)ccccc1C(=O)N	C65452
PADEL_KR4763	O=Cc1ccccc1O	C90028
PADEL_KR4763	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4763	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4763	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4763	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR4763	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4763	O=C(O)c1ccccc1O	C69727
PADEL_KR4763	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4763	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4763	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4763	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4763	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PADEL_KR4763	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4763	O=C(c1ccccc1O)C	C118934
PADEL_KR4763	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4763	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4763	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4763	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR4763	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4763	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4763	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4763	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PADEL_KR4763	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4763	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4763	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4763	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4763	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4763	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4763	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4763	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR4763	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR4763	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4763	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4763	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PADEL_KR4763	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4763	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4763	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PADEL_KR4763	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4763	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4763	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4763	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4763	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4763	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4763	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4763	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PADEL_KR4763	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4763	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4763	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4763	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4763	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PADEL_KR4764	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PADEL_KR4764	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PADEL_KR4764	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PADEL_KR4764	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PADEL_KR4764	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PADEL_KR4764	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PADEL_KR4764	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4764	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PADEL_KR4764	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4764	O=C(c1ccccc1)c1ccccc1O	C117997
PADEL_KR4764	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PADEL_KR4764	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4764	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PADEL_KR4764	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PADEL_KR4764	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PADEL_KR4764	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4764	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR4764	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PADEL_KR4764	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4764	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4764	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PADEL_KR4764	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4765	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4765	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PADEL_KR4765	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4765	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PADEL_KR4765	Oc1cc(Cl)ccc1Cl	C583788
PADEL_KR4765	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4765	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4765	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4765	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4765	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PADEL_KR4765	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4765	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4765	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4765	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4765	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4765	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4765	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PADEL_KR4765	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4765	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4765	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PADEL_KR4765	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR4765	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR4765	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PADEL_KR4765	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4765	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4765	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4765	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4765	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4765	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4765	Clc1c(ccc(c1)Cl)O	C120832
PADEL_KR4765	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4765	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PADEL_KR4765	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PADEL_KR4765	Oc1ccccc1Cl	C95578
PADEL_KR4765	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4765	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PADEL_KR4765	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4765	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4765	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4765	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PADEL_KR4765	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR4765	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4765	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR4765	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4765	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PADEL_KR4765	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PADEL_KR4765	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR4765	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PADEL_KR4766	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4766	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4766	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PADEL_KR4767	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4767	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PADEL_KR4767	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4767	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4767	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PADEL_KR4767	c1c(I)c(O)c(I)cc1C#N	C1689834
PADEL_KR4767	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PADEL_KR4769	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4769	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4769	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4769	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PADEL_KR4769	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PADEL_KR4770	O=Cc1cc(OCC)c(O)cc1	C121324
PADEL_KR4770	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PADEL_KR4770	c1cccc(OC)c1O	C90051
PADEL_KR4770	O(C)c1cc(C=O)ccc1OC	C120149
PADEL_KR4770	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR4770	Oc1c(OCC)cccc1	C94713
PADEL_KR4770	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PADEL_KR4770	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4770	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR4770	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4770	CC(C)Oc1ccccc1OC(=O)NC	C114261
PADEL_KR4770	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PADEL_KR4770	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PADEL_KR4770	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PADEL_KR4770	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4770	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4770	Oc1c(cccc1)O	C120809
PADEL_KR4770	Oc1c(cc(cc1)CC=C)OC	C97530
PADEL_KR4770	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PADEL_KR4770	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4770	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PADEL_KR4770	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4770	C=CCc1ccc2c(c1)OCO2	C94597
PADEL_KR4770	c1(C=O)cc(OC)c(O)cc1	C121335
PADEL_KR4770	Oc1ccc(C=CC)cc1OC	C97541
PADEL_KR4770	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4770	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4770	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PADEL_KR4770	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR4770	O(C)c1cc(CC=C)ccc1OC	C93152
PADEL_KR4770	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4770	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4770	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4770	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4770	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4770	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4770	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PADEL_KR4770	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4770	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4770	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4770	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4770	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PADEL_KR4770	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4770	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PADEL_KR4770	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PADEL_KR4770	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PADEL_KR4770	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PADEL_KR4770	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4770	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PADEL_KR4770	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4771	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4771	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4772	OCc1cnc(C)c(O)c1CO.Cl	C58560
PADEL_KR4772	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4772	c1(C)c(O)c(CO)c(CO)cn1	C65236
PADEL_KR4772	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PADEL_KR4772	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4774	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PADEL_KR4774	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PADEL_KR4774	C(O)C#CCO	C110656
PADEL_KR4774	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PADEL_KR4774	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PADEL_KR4774	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PADEL_KR4774	OC(CC(C)C)(C)C#C	C107540
PADEL_KR4774	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR4774	O=C(NCCCC)OCC#CI	C55406536
PADEL_KR4774	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4774	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PADEL_KR4774	OC(C(CC)CCCC)C#C	C5877429
PADEL_KR4774	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PADEL_KR4774	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PADEL_KR4774	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PADEL_KR4774	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PADEL_KR4774	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PADEL_KR4778	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR4778	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4778	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4778	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR4803	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4803	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4803	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4803	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4803	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4803	C(=O)(O)C(C)O	C50215
PADEL_KR4803	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4803	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4803	C(=O)(O)CO	C79141
PADEL_KR4803	C(=O)(O)C(=O)O	C144627
PADEL_KR4803	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4803	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4803	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4803	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4803	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR4803	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4803	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4803	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4803	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4803	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4803	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4803	OC(C)C(=O)OCCCC	C138227
PADEL_KR4803	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR4803	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4803	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4803	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4803	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4803	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4803	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4803	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4803	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR4803	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4803	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4803	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4803	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR4803	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4803	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4803	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4803	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4803	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4803	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4803	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4803	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4803	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4803	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4803	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4803	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4803	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4803	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4803	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4803	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4803	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4803	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4803	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4803	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4803	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4803	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4803	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4803	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4803	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4803	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4803	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4803	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4803	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4803	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4803	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4803	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR4805	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4805	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4805	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR4805	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4806	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR4806	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR4806	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR4806	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR4806	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR4808	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4808	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4808	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4808	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4808	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4810	C=CCO	C107186
PADEL_KR4810	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4810	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4810	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PADEL_KR4810	O=C(O)/C=C\C(=O)O	C110167
PADEL_KR4810	OC(=O)/C=C/C(=O)O	C110178
PADEL_KR4810	C=CC(=O)OCCO	C818611
PADEL_KR4810	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PADEL_KR4810	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4810	C(=O)(/C=C/c1ccccc1)O	C140103
PADEL_KR4810	O=C(OCCCC)C=C	C141322
PADEL_KR4810	O=C(OCC(CCCC)CC)C=C	C103117
PADEL_KR4810	OC(C=C)(CCC=C(C)C)C	C78706
PADEL_KR4810	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PADEL_KR4810	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PADEL_KR4810	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PADEL_KR4810	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4810	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4810	OC(CCCCC)C=C	C3391864
PADEL_KR4810	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PADEL_KR4810	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4810	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4810	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4810	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PADEL_KR4810	OCC=Cc1ccccc1	C104541
PADEL_KR4810	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4810	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR4810	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PADEL_KR4810	[O-]C(=O)C(=C)C.[Na+]	C5536618
PADEL_KR4810	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4810	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PADEL_KR4810	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4810	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4810	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4810	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4810	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR4810	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR4810	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4810	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PADEL_KR4810	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PADEL_KR4810	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR4810	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR4810	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4810	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4810	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4810	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4810	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PADEL_KR4810	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PADEL_KR4810	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PADEL_KR4810	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4810	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4810	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4810	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PADEL_KR4810	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4810	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PADEL_KR4810	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4810	OC(=O)C=CC=CC	C110441
PADEL_KR4810	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PADEL_KR4810	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4810	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR4810	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PADEL_KR4810	OC/C=C(\C)/CCC=C(C)C	C106241
PADEL_KR4810	OC/C=C(/C)\CCC=C(C)C	C106252
PADEL_KR4810	O=C(OCCCCCC(C)C)C=C	C29590429
PADEL_KR4810	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PADEL_KR4810	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PADEL_KR4810	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4810	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4810	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4810	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PADEL_KR4810	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4810	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PADEL_KR4810	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PADEL_KR4810	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PADEL_KR4810	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4810	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4810	O=C(/C=C\C(=O)OCC)OCC	C141059
PADEL_KR4810	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4810	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PADEL_KR4810	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4810	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PADEL_KR4810	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PADEL_KR4810	OCC=C(C)C	C556821
PADEL_KR4810	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PADEL_KR4810	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4810	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PADEL_KR4810	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PADEL_KR4810	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4810	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PADEL_KR4810	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PADEL_KR4810	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4810	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR4810	O=C(OCCCCO)C=C	C2478106
PADEL_KR4810	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PADEL_KR4810	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PADEL_KR4810	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4810	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4810	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PADEL_KR4810	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4810	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4810	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PADEL_KR4810	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PADEL_KR4810	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR4810	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4811	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4811	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR4811	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4811	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4811	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PADEL_KR4811	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4811	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4811	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PADEL_KR4811	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4811	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4811	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PADEL_KR4811	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4811	C(=O)(O)C(C)O	C50215
PADEL_KR4811	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4811	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4811	C(=O)(O)CO	C79141
PADEL_KR4811	C(=O)(O)C(=O)O	C144627
PADEL_KR4811	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4811	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4811	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4811	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4811	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR4811	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4811	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4811	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4811	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4811	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4811	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4811	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PADEL_KR4811	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4811	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR4811	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4811	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4811	OC(C)C(=O)OCCCC	C138227
PADEL_KR4811	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR4811	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PADEL_KR4811	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4811	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PADEL_KR4811	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4811	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4811	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4811	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4811	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PADEL_KR4811	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4811	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4811	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4811	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PADEL_KR4811	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4811	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4811	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR4811	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PADEL_KR4811	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4811	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PADEL_KR4811	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4811	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4811	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR4811	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4811	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4811	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4811	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4811	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4811	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4811	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4811	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4811	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4811	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4811	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4811	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4811	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4811	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4811	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4811	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4811	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4811	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4811	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4811	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4811	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4811	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4811	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4811	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4811	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4811	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4811	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4811	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4811	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PADEL_KR4811	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4811	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4811	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4811	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4811	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4811	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4811	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4811	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4811	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4811	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4811	CC(=O)C(=O)O	C127173
PADEL_KR4811	O=C(O)C(=O)C(C)(C)C	C815178
PADEL_KR4811	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PADEL_KR4811	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR4811	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PADEL_KR4811	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4811	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4811	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4811	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4811	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR4811	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4811	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4811	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PADEL_KR4812	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4812	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4812	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4813	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR4813	CC(=O)OCc1ccccc1	C140114
PADEL_KR4813	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PADEL_KR4813	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PADEL_KR4813	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4813	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4813	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PADEL_KR4813	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PADEL_KR4813	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PADEL_KR4813	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4813	c1cc(N)ccc1C(=O)OCC	C94097
PADEL_KR4813	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PADEL_KR4813	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4813	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PADEL_KR4813	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PADEL_KR4813	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PADEL_KR4813	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PADEL_KR4813	C(=O)(c1ccc(cc1)O)OCC	C120478
PADEL_KR4813	O=C(OCc1ccccc1)c1ccccc1O	C118581
PADEL_KR4813	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4813	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PADEL_KR4813	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PADEL_KR4813	O=C(OCC)c1c(N)cccc1	C87252
PADEL_KR4813	O=C(OCCCCCC)c1ccccc1	C6789884
PADEL_KR4813	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4813	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PADEL_KR4813	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4813	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4813	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PADEL_KR4813	O=C(O)c1ccccc1O	C69727
PADEL_KR4813	O=C(O)c1ccc(O)cc1	C99967
PADEL_KR4813	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PADEL_KR4813	OCc1cccc(Oc2ccccc2)c1	C13826352
PADEL_KR4813	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4813	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4813	O=C(OCc1ccccc1)c1ccccc1	C120514
PADEL_KR4813	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PADEL_KR4813	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4813	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR4813	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PADEL_KR4813	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PADEL_KR4813	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4813	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PADEL_KR4813	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR4813	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PADEL_KR4813	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4813	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PADEL_KR4813	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PADEL_KR4813	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PADEL_KR4813	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PADEL_KR4813	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PADEL_KR4813	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4813	O=C(O)c1ccccc1OCCCCCC	C6259763
PADEL_KR4813	O=C(CBr)OCc1ccccc1	C5437456
PADEL_KR4813	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4813	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR4813	O=C(OCC)c1c(C)cccc1	C87241
PADEL_KR4813	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4813	O=C(C)OC(C)c1ccccc1	C93925
PADEL_KR4813	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PADEL_KR4813	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PADEL_KR4813	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4813	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4813	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PADEL_KR4813	OC(CO)c1ccccc1	C93561
PADEL_KR4813	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PADEL_KR4813	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PADEL_KR4813	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4813	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4813	O=C(c1ccccc1)OCCC(C)C	C94462
PADEL_KR4813	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4813	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR4813	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PADEL_KR4813	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PADEL_KR4813	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PADEL_KR4813	O=C(O)c1c(C)cc(C)cc1C	C480637
PADEL_KR4813	O=C(OC)c1c(C)cccc1	C89714
PADEL_KR4813	O=C(Oc1ccccc1)c1ccccc1	C93992
PADEL_KR4813	O=C(OCC)c1ccc(C)cc1	C94086
PADEL_KR4813	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4813	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PADEL_KR4813	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR4813	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4813	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR4813	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PADEL_KR4813	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4813	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4813	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PADEL_KR4813	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PADEL_KR4813	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PADEL_KR4813	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PADEL_KR4813	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4813	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR4813	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4813	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR4813	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PADEL_KR4813	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR4813	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PADEL_KR4813	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4813	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PADEL_KR4813	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4813	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PADEL_KR4813	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4813	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR4813	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4813	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR4813	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4813	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4813	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4813	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PADEL_KR4813	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4813	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4813	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PADEL_KR4813	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4813	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4813	OC(=O)c1c(cccc1)OC(=O)C	C50782
PADEL_KR4813	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PADEL_KR4813	OC(=O)c1ccccc1	C65850
PADEL_KR4813	OCc1ccccc1	C100516
PADEL_KR4813	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4813	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PADEL_KR4813	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4813	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4813	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PADEL_KR4813	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PADEL_KR4813	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PADEL_KR4813	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4813	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4813	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4813	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PADEL_KR4813	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4813	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4813	C1C(c2ccccc2)O1	C96093
PADEL_KR4813	OC(=O)c1cc(C(=O)O)ccc1	C121915
PADEL_KR4813	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4813	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4813	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4813	C(=O)(c1ccc(cc1)O)OCCC	C94133
PADEL_KR4813	C(=O)(c1ccc(cc1)O)OC	C99763
PADEL_KR4813	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4813	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4813	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PADEL_KR4813	O=C(O)c1ccc(N)cc1	C150130
PADEL_KR4813	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PADEL_KR4813	O(O)C(c1ccccc1)(C)C	C80159
PADEL_KR4813	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PADEL_KR4813	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4813	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PADEL_KR4813	O=C(OC)c1c(N)cccc1	C134203
PADEL_KR4813	O=C(OC)c1c(O)cccc1	C119368
PADEL_KR4813	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4813	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4813	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR4813	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PADEL_KR4813	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4813	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4813	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4813	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4813	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4813	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR4813	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PADEL_KR4813	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PADEL_KR4813	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PADEL_KR4813	O=C(OCCCC)c1ccccc1	C136607
PADEL_KR4813	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PADEL_KR4813	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4813	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PADEL_KR4813	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4813	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PADEL_KR4813	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PADEL_KR4813	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PADEL_KR4813	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PADEL_KR4813	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4813	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4813	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4813	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PADEL_KR4813	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4813	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4813	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4813	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4813	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4813	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PADEL_KR4813	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PADEL_KR4813	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PADEL_KR4813	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PADEL_KR4813	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4813	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4813	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PADEL_KR4813	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4813	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PADEL_KR4813	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PADEL_KR4813	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4813	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PADEL_KR4813	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4813	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4813	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4813	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4813	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4813	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4813	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4813	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4813	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4813	O=C(OCC)c1ccccc1	C93890
PADEL_KR4813	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PADEL_KR4813	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4813	CC(c1ccc(CO)cc1)C	C536607
PADEL_KR4813	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4813	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PADEL_KR4813	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PADEL_KR4813	C(=O)(O)c1ccc(Cl)cc1	C74113
PADEL_KR4813	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR4813	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4813	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4813	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4813	O=C(O)c1cc2c(cc1O)cccc2	C92706
PADEL_KR4813	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PADEL_KR4813	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR4813	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PADEL_KR4813	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR4813	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PADEL_KR4813	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4813	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PADEL_KR4813	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PADEL_KR4813	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PADEL_KR4813	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4813	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PADEL_KR4813	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PADEL_KR4813	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PADEL_KR4813	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PADEL_KR4813	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4813	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PADEL_KR4813	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PADEL_KR4813	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4813	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PADEL_KR4813	NNC(=O)OCc1ccccc1	C5331431
PADEL_KR4813	O=COCc1ccc(OC)cc1	C122918
PADEL_KR4815	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PADEL_KR4815	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PADEL_KR4815	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PADEL_KR4815	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PADEL_KR4815	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PADEL_KR4815	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PADEL_KR4815	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PADEL_KR4815	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4815	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PADEL_KR4815	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PADEL_KR4815	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PADEL_KR4815	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PADEL_KR4815	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PADEL_KR4815	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PADEL_KR4815	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PADEL_KR4815	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PADEL_KR4815	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4815	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PADEL_KR4815	O=C(OC)c1ccccc1C(=O)O	C4376185
PADEL_KR4815	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PADEL_KR4815	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PADEL_KR4815	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PADEL_KR4815	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4815	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PADEL_KR4815	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PADEL_KR4815	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PADEL_KR4815	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PADEL_KR4815	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4815	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PADEL_KR4815	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PADEL_KR4815	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PADEL_KR4815	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PADEL_KR4815	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PADEL_KR4815	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PADEL_KR4815	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PADEL_KR4815	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PADEL_KR4815	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4817	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR4817	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR4817	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR4817	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR4817	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR4817	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4817	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4817	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR4817	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4817	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4818	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR4818	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR4818	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR4818	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4820	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PADEL_KR4820	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4820	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PADEL_KR4820	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PADEL_KR4820	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4820	OCCc1ccccc1	C60128
PADEL_KR4820	Oc1cccc2c1OC(C)(C)C2	C1563388
PADEL_KR4820	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4820	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PADEL_KR4820	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4820	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PADEL_KR4820	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PADEL_KR4820	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PADEL_KR4820	OC(CO)c1ccccc1	C93561
PADEL_KR4820	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PADEL_KR4820	O=C(OCCc1ccccc1)c1ccccc1	C94473
PADEL_KR4820	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PADEL_KR4820	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4820	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PADEL_KR4820	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4820	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PADEL_KR4820	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4820	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4820	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PADEL_KR4820	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4820	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4820	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4820	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PADEL_KR4820	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4820	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PADEL_KR4820	C1C(c2ccccc2)O1	C96093
PADEL_KR4820	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4820	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4820	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PADEL_KR4820	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PADEL_KR4820	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PADEL_KR4820	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4820	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4820	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PADEL_KR4820	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4820	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4820	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PADEL_KR4820	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4820	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PADEL_KR4820	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4820	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4820	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PADEL_KR4820	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PADEL_KR4820	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PADEL_KR4820	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PADEL_KR4820	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4820	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4820	COC(OC)C(C)c1ccccc1	C90879
PADEL_KR4821	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4821	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4821	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PADEL_KR4821	CCCCCCC1OC(=O)CC1	C706149
PADEL_KR4821	C(=O)(O)CCC(=O)O	C110156
PADEL_KR4821	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PADEL_KR4821	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PADEL_KR4821	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4821	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PADEL_KR4821	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4821	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4821	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PADEL_KR4821	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4821	O=C1OC(CCCCC)CC1	C104610
PADEL_KR4821	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4821	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4821	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4821	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4821	O=C1CCC(O1)CC	C695067
PADEL_KR4821	O=C1OC(CCCCCC)(C)CC1	C7011838
PADEL_KR4821	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR4821	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4821	O=C1OC(CCC)CC1	C105215
PADEL_KR4821	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PADEL_KR4821	O=C(CCC(=O)O)NN(C)C	C1596845
PADEL_KR4821	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4821	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4821	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4821	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4821	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4821	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PADEL_KR4821	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4821	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4821	O=C1CCCO1	C96480
PADEL_KR4821	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PADEL_KR4821	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4821	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4821	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PADEL_KR4821	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4821	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4821	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4821	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4821	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4821	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4821	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PADEL_KR4821	C(=O)(OC)CCC(=O)OC	C106650
PADEL_KR4821	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4821	O=C1CCC(O1)CCCCCCC	C104676
PADEL_KR4821	O=C(OCC)CCC(=O)OCC	C123251
PADEL_KR4821	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4821	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4821	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4821	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4821	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4821	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4821	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4821	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PADEL_KR4821	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PADEL_KR4821	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4821	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4821	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4821	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PADEL_KR4821	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4821	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4821	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4821	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PADEL_KR4821	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4821	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4822	OC(CO)CCl	C96242
PADEL_KR4822	ClCCOP(OCCCl)OCCCl	C140089
PADEL_KR4822	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR4822	O=C(CCl)[O-].[Na+]	C3926623
PADEL_KR4822	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PADEL_KR4822	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PADEL_KR4822	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR4822	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR4822	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PADEL_KR4822	ClCCOCCCl	C111444
PADEL_KR4822	OC(=O)C(Cl)Cl	C79436
PADEL_KR4822	ClC(C(=O)O)(Cl)Cl	C76039
PADEL_KR4822	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR4822	CC(Cl)(Cl)C(=O)O	C75990
PADEL_KR4822	ClCCO	C107073
PADEL_KR4822	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PADEL_KR4822	OC(CCl)CCl	C96231
PADEL_KR4822	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR4822	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PADEL_KR4822	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4823	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PADEL_KR4823	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4823	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4823	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4823	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4823	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PADEL_KR4824	[Na+].[O-]C(=O)CF	C62748
PADEL_KR4824	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PADEL_KR4824	O=C(CF)O	C144490
PADEL_KR4824	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4824	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PADEL_KR4824	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4824	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4824	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PADEL_KR4824	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4824	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PADEL_KR4824	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PADEL_KR4824	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PADEL_KR4824	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PADEL_KR4824	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PADEL_KR4824	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PADEL_KR4824	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4824	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PADEL_KR4824	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PADEL_KR4824	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PADEL_KR4824	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PADEL_KR4824	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4824	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PADEL_KR4824	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4824	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4826	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PADEL_KR4826	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4826	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PADEL_KR4826	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PADEL_KR4826	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PADEL_KR4826	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PADEL_KR4826	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PADEL_KR4826	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PADEL_KR4826	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PADEL_KR4826	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4826	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PADEL_KR4826	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PADEL_KR4826	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PADEL_KR4826	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PADEL_KR4826	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PADEL_KR4826	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PADEL_KR4826	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PADEL_KR4826	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PADEL_KR4826	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4826	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PADEL_KR4826	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4826	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4826	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PADEL_KR4826	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PADEL_KR4826	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4826	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PADEL_KR4826	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PADEL_KR4826	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PADEL_KR4826	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PADEL_KR4826	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PADEL_KR4826	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PADEL_KR4827	CC(CNCC(C)O)O	C110974
PADEL_KR4827	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4827	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PADEL_KR4827	OCCN(CC)CCO	C139877
PADEL_KR4827	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PADEL_KR4827	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PADEL_KR4827	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PADEL_KR4827	OCCN(CCO)CCO	C102716
PADEL_KR4827	OCCNCCO	C111422
PADEL_KR4827	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PADEL_KR4827	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4827	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4827	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PADEL_KR4827	CC(CN(CC(C)O)CC(C)O)O	C122203
PADEL_KR4827	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4827	OCCN(CCCCCCCCCCCC)CCO	C1541679
PADEL_KR4827	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PADEL_KR4827	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4827	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PADEL_KR4828	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4829	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4829	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PADEL_KR4829	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PADEL_KR4829	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PADEL_KR4829	OC(CO)CCl	C96242
PADEL_KR4829	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PADEL_KR4829	OCCOCCOCCOCCCC	C143226
PADEL_KR4829	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR4829	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PADEL_KR4829	C=CC(=O)OCCO	C818611
PADEL_KR4829	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PADEL_KR4829	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PADEL_KR4829	C(=O)(O)C(C)O	C50215
PADEL_KR4829	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PADEL_KR4829	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PADEL_KR4829	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PADEL_KR4829	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PADEL_KR4829	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PADEL_KR4829	CC(O)COC	C107982
PADEL_KR4829	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PADEL_KR4829	C(OCCCC)C1CO1	C2426086
PADEL_KR4829	C(=O)(O)CO	C79141
PADEL_KR4829	C(=O)(O)C(=O)O	C144627
PADEL_KR4829	C(=O)(OCC)C1OC1c1ccccc1	C121391
PADEL_KR4829	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4829	c1(OCCOc2ccccc2)ccccc1	C104665
PADEL_KR4829	O=C1OCC(C)O1	C108327
PADEL_KR4829	O=C(C)OCCOC(=O)C	C111557
PADEL_KR4829	O=C(C)OCCOCCCC	C112072
PADEL_KR4829	OCCOCCOCCOC	C112356
PADEL_KR4829	OCCOCCOCCOCCO	C112607
PADEL_KR4829	OC(C)COc1ccccc1	C770354
PADEL_KR4829	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PADEL_KR4829	OCCOCCOCCOCCOCCCC	C1559348
PADEL_KR4829	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PADEL_KR4829	OCCOCCC	C2807309
PADEL_KR4829	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR4829	OC(OCC(OC(O)CC)C)CC	C24800440
PADEL_KR4829	CC(CO)O	C25322694
PADEL_KR4829	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR4829	C1(CO1)COCCCCCCCCCCCC	C68609972
PADEL_KR4829	OCC1OCCC1	C97994
PADEL_KR4829	OC(C)COCCC	C1569013
PADEL_KR4829	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR4829	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR4829	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR4829	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4829	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR4829	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PADEL_KR4829	O=C(COc1ccc(Cl)cc1)O	C122883
PADEL_KR4829	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PADEL_KR4829	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PADEL_KR4829	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4829	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PADEL_KR4829	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PADEL_KR4829	O=C1OCC(CC)O1	C4437858
PADEL_KR4829	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4829	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PADEL_KR4829	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PADEL_KR4829	CC(O)COCC	C1569024
PADEL_KR4829	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR4829	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4829	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PADEL_KR4829	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PADEL_KR4829	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4829	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PADEL_KR4829	OCCOCC(CC)CCCC	C1559359
PADEL_KR4829	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR4829	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR4829	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PADEL_KR4829	OC(C)C(=O)OCCCC	C138227
PADEL_KR4829	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PADEL_KR4829	O[C@@H](C)C(=O)OCCCC	C34451199
PADEL_KR4829	OC(CO)c1ccccc1	C93561
PADEL_KR4829	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR4829	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PADEL_KR4829	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PADEL_KR4829	OCCOCC(C)OCCO	C9003116
PADEL_KR4829	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PADEL_KR4829	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PADEL_KR4829	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PADEL_KR4829	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PADEL_KR4829	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PADEL_KR4829	c1ccccc1OCCO	C122996
PADEL_KR4829	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PADEL_KR4829	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PADEL_KR4829	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PADEL_KR4829	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4829	OCCOC	C109864
PADEL_KR4829	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PADEL_KR4829	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR4829	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PADEL_KR4829	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PADEL_KR4829	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PADEL_KR4829	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PADEL_KR4829	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PADEL_KR4829	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PADEL_KR4829	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PADEL_KR4829	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PADEL_KR4829	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PADEL_KR4829	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PADEL_KR4829	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PADEL_KR4829	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PADEL_KR4829	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PADEL_KR4829	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4829	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PADEL_KR4829	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PADEL_KR4829	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PADEL_KR4829	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PADEL_KR4829	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PADEL_KR4829	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4829	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PADEL_KR4829	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PADEL_KR4829	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PADEL_KR4829	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PADEL_KR4829	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PADEL_KR4829	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4829	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4829	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PADEL_KR4829	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PADEL_KR4829	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PADEL_KR4829	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PADEL_KR4829	OCCOCCO	C111466
PADEL_KR4829	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4829	C(CO)O	C107211
PADEL_KR4829	OCC(O)CO	C56815
PADEL_KR4829	OCC1CO1	C556525
PADEL_KR4829	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PADEL_KR4829	CC(CO)O	C57556
PADEL_KR4829	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4829	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PADEL_KR4829	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PADEL_KR4829	OCCOCCOCCO	C112276
PADEL_KR4829	CCCCOCCOCCO	C112345
PADEL_KR4829	CC(=O)OCCOCC	C111159
PADEL_KR4829	CCOCCOCCO	C111900
PADEL_KR4829	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PADEL_KR4829	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PADEL_KR4829	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PADEL_KR4829	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4829	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PADEL_KR4829	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PADEL_KR4829	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PADEL_KR4829	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4829	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PADEL_KR4829	CCOCCO	C110805
PADEL_KR4829	CCCCOCCO	C111762
PADEL_KR4829	OCCOCCOCCOCC	C112505
PADEL_KR4829	O(CCOC)CCOC	C111966
PADEL_KR4829	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PADEL_KR4829	O(CCOC)CCO	C111773
PADEL_KR4829	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4829	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR4829	C(OCCOC)COCCOC	C112492
PADEL_KR4829	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR4829	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR4829	OCCOCCCCCC	C112254
PADEL_KR4829	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR4829	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR4829	O=C(O)C(O)CC(=O)O	C6915157
PADEL_KR4829	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4829	OCC(C)OCC(OCC(OC)C)C	C25498491
PADEL_KR4829	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PADEL_KR4829	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PADEL_KR4829	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PADEL_KR4829	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PADEL_KR4829	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PADEL_KR4829	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4829	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PADEL_KR4829	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PADEL_KR4829	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PADEL_KR4829	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PADEL_KR4829	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PADEL_KR4829	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PADEL_KR4829	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4829	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PADEL_KR4829	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PADEL_KR4829	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PADEL_KR4829	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PADEL_KR4829	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PADEL_KR4829	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4829	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR4829	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4829	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4829	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4829	NCCOCCOCCN	C929599
PADEL_KR4829	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4829	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PADEL_KR4829	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PADEL_KR4829	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4829	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PADEL_KR4829	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PADEL_KR4829	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR4829	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PADEL_KR4829	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PADEL_KR4829	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PADEL_KR4829	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR4829	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR4829	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4829	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PADEL_KR4829	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PADEL_KR4829	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4829	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PADEL_KR4829	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PADEL_KR4829	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PADEL_KR4829	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PADEL_KR4829	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR4829	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4829	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4829	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PADEL_KR4829	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PADEL_KR4829	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PADEL_KR4829	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PADEL_KR4829	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PADEL_KR4830	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PADEL_KR4830	C=CC(=O)OCCO	C818611
PADEL_KR4830	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PADEL_KR4830	O=C1OCC(C)O1	C108327
PADEL_KR4830	O=C(C)OCCOC(=O)C	C111557
PADEL_KR4830	O=C(C)OCCOCCCC	C112072
PADEL_KR4830	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PADEL_KR4830	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PADEL_KR4830	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PADEL_KR4830	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PADEL_KR4830	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PADEL_KR4830	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PADEL_KR4830	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PADEL_KR4830	O=C1OCC(CC)O1	C4437858
PADEL_KR4830	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PADEL_KR4830	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PADEL_KR4830	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PADEL_KR4830	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PADEL_KR4830	O=C(CCCCCCC)OCC(O)CO	C26402266
PADEL_KR4830	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PADEL_KR4830	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PADEL_KR4830	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4830	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PADEL_KR4830	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PADEL_KR4830	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PADEL_KR4830	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PADEL_KR4830	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PADEL_KR4830	CC(=O)OCCOCC	C111159
PADEL_KR4830	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PADEL_KR4830	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PADEL_KR4830	O=C(OCCOCCOCCOC(=O)C)C	C111217
PADEL_KR4830	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PADEL_KR4830	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PADEL_KR4830	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PADEL_KR4830	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PADEL_KR4830	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PADEL_KR4830	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PADEL_KR4830	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PADEL_KR4830	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PADEL_KR4830	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PADEL_KR4830	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PADEL_KR4830	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PADEL_KR4830	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4830	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PADEL_KR4830	ClC(=O)OCCOCCOC(=O)Cl	C106752
PADEL_KR4830	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PADEL_KR4830	O=C(OCCOC(=O)C=C)C=C	C2274115
PADEL_KR4830	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PADEL_KR4830	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PADEL_KR4831	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4831	O=C(O)CS	C68111
PADEL_KR4831	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4831	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4831	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4831	OCCSCCCCCCCC	C3547339
PADEL_KR4831	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4831	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4831	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4831	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4831	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4831	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4831	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4831	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4831	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4831	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4831	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR4831	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4831	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR4832	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4832	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4832	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4832	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4832	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4832	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4833	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PADEL_KR4833	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PADEL_KR4833	Oc1c([N+](=O)[O-])cccc1	C88755
PADEL_KR4833	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4833	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PADEL_KR4833	[N+](=O)([O-])c1ccccc1N	C88744
PADEL_KR4833	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PADEL_KR4833	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PADEL_KR4833	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PADEL_KR4833	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PADEL_KR4833	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PADEL_KR4833	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PADEL_KR4833	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PADEL_KR4833	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PADEL_KR4833	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4833	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4833	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PADEL_KR4833	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PADEL_KR4833	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PADEL_KR4833	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PADEL_KR4833	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4833	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PADEL_KR4833	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PADEL_KR4833	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PADEL_KR4833	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PADEL_KR4833	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4833	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PADEL_KR4833	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PADEL_KR4833	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4833	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PADEL_KR4833	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PADEL_KR4833	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PADEL_KR4833	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PADEL_KR4833	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PADEL_KR4833	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PADEL_KR4833	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PADEL_KR4833	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PADEL_KR4833	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PADEL_KR4833	O=[N+](c1ccc(cc1)N)[O-]	C100016
PADEL_KR4833	O=[N+](c1ccccc1)[O-]	C98953
PADEL_KR4833	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PADEL_KR4833	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PADEL_KR4833	Cc1cc([N+](=O)[O-])ccc1	C99081
PADEL_KR4833	Oc1ccc([N+](=O)[O-])cc1	C100027
PADEL_KR4833	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PADEL_KR4833	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4833	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PADEL_KR4833	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PADEL_KR4833	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4833	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PADEL_KR4833	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PADEL_KR4833	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PADEL_KR4833	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PADEL_KR4833	[N+](=O)([O-])c1ccccc1C	C88722
PADEL_KR4833	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PADEL_KR4833	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PADEL_KR4833	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PADEL_KR4833	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PADEL_KR4833	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PADEL_KR4833	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PADEL_KR4833	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PADEL_KR4833	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PADEL_KR4833	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PADEL_KR4833	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PADEL_KR4833	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PADEL_KR4833	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PADEL_KR4833	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PADEL_KR4833	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PADEL_KR4833	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PADEL_KR4833	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PADEL_KR4833	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PADEL_KR4833	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PADEL_KR4833	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4833	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PADEL_KR4833	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PADEL_KR4833	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PADEL_KR4833	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PADEL_KR4833	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4833	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PADEL_KR4833	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4833	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4833	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PADEL_KR4833	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4833	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PADEL_KR4833	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PADEL_KR4833	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PADEL_KR4833	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PADEL_KR4833	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PADEL_KR4833	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PADEL_KR4834	ON=C1CCCCC1	C100641
PADEL_KR4834	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4834	ON=CCCC	C110690
PADEL_KR4834	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PADEL_KR4834	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4834	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR4834	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4834	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PADEL_KR4834	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4834	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4834	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR4834	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PADEL_KR4834	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PADEL_KR4834	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4834	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PADEL_KR4834	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PADEL_KR4834	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PADEL_KR4834	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PADEL_KR4834	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4834	CCC(=NO)C	C96297
PADEL_KR4834	ON=CC(C)(C)SC	C1646759
PADEL_KR4834	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PADEL_KR4834	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PADEL_KR4835	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PADEL_KR4835	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PADEL_KR4835	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PADEL_KR4835	C(=O)(N)NO	C127071
PADEL_KR4835	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4835	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4835	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PADEL_KR4835	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PADEL_KR4836	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PADEL_KR4836	O=P(OC)(OC)OC	C512561
PADEL_KR4836	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PADEL_KR4836	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PADEL_KR4836	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PADEL_KR4836	OP(=O)(O)O	C7664382
PADEL_KR4836	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PADEL_KR4836	O=P(OCC)(OCC)OCC	C78400
PADEL_KR4836	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PADEL_KR4836	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PADEL_KR4836	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PADEL_KR4836	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PADEL_KR4836	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PADEL_KR4836	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PADEL_KR4836	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PADEL_KR4836	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PADEL_KR4836	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PADEL_KR4836	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PADEL_KR4836	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PADEL_KR4836	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PADEL_KR4836	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PADEL_KR4836	O=P(OCCCl)(OCCCl)OCCCl	C115968
PADEL_KR4836	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PADEL_KR4836	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PADEL_KR4836	CCCCOP(=O)(OCCCC)OCCCC	C126738
PADEL_KR4836	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PADEL_KR4836	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PADEL_KR4836	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PADEL_KR4836	O=P(OCCCC)(O)OCCCC	C107664
PADEL_KR4839	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4839	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4839	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4839	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4839	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4839	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4839	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4839	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4839	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR4839	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4839	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR4839	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4839	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4839	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4839	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR4839	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR4839	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4839	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4839	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4839	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR4839	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4839	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4839	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4839	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4839	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4839	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4839	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4839	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR4839	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR4839	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4839	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR4839	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR4839	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR4839	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4839	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4839	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4839	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4839	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4839	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4839	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR4839	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4839	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4839	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4839	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4839	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR4839	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR4839	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR4839	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4839	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4839	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4839	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4839	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4839	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4839	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4839	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR4842	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4842	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4842	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4842	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4842	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4842	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4842	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4842	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4842	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR4842	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR4842	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4842	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4842	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4842	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4842	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4842	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR4842	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4842	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4842	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR4842	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR4842	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4842	O=S(=O)(N)O	C5329146
PADEL_KR4842	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR4842	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR4842	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR4842	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR4842	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4842	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4842	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4842	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR4842	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR4842	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR4842	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4842	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4842	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4842	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR4842	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4842	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4842	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4842	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4842	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4842	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4842	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4842	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR4842	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR4842	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR4842	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR4842	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4842	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4842	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR4842	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR4842	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR4842	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4842	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4842	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4842	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4842	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4842	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR4842	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4842	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR4842	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR4842	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR4842	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4842	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4842	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4842	CS(=O)(=O)OC	C66273
PADEL_KR4842	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4842	O=S1(=O)CCCO1	C1120714
PADEL_KR4842	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4842	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4842	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4842	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4842	O=S(=O)(OCC)OCC	C64675
PADEL_KR4842	O=S(=O)(OC)OC	C77781
PADEL_KR4842	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4842	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR4842	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR4842	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR4842	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR4842	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4842	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4842	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4842	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4842	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4842	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR4842	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR4842	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4842	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4842	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4842	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4842	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4842	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4842	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4842	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4842	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4842	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4842	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4842	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4842	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4842	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4842	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR4842	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4843	C=CCN=C=S	C57067
PADEL_KR4843	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4843	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PADEL_KR4843	S=C(NCC)NCC	C105555
PADEL_KR4843	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4843	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4843	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR4843	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4843	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4843	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4843	NC(=S)N	C62566
PADEL_KR4843	CS(=O)C	C67685
PADEL_KR4843	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PADEL_KR4843	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PADEL_KR4843	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4843	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4843	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4843	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PADEL_KR4843	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PADEL_KR4843	[NH4+].[O-]S(=O)(=O)N	C7773060
PADEL_KR4843	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PADEL_KR4843	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR4843	C(CCCCCC)CCCCCS	C112550
PADEL_KR4843	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR4843	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PADEL_KR4843	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PADEL_KR4843	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR4843	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4843	O=C(O)CS	C68111
PADEL_KR4843	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PADEL_KR4843	N1(SSN2CCOCC2)CCOCC1	C103344
PADEL_KR4843	Sc1ccccc1	C108985
PADEL_KR4843	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PADEL_KR4843	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4843	NNC(=S)NN	C2231574
PADEL_KR4843	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4843	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4843	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PADEL_KR4843	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PADEL_KR4843	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4843	SC(C)(C)CCCCCC	C25360105
PADEL_KR4843	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR4843	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4843	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4843	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4843	[S-]C(=S)NC.[Na+]	C137428
PADEL_KR4843	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PADEL_KR4843	N#C[S-].[NH4+]	C1762954
PADEL_KR4843	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PADEL_KR4843	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PADEL_KR4843	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PADEL_KR4843	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR4843	OCCSCCCCCCCC	C3547339
PADEL_KR4843	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR4843	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR4843	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PADEL_KR4843	O=S(=O)(N)O	C5329146
PADEL_KR4843	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4843	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PADEL_KR4843	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4843	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PADEL_KR4843	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4843	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PADEL_KR4843	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PADEL_KR4843	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PADEL_KR4843	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR4843	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PADEL_KR4843	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PADEL_KR4843	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4843	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4843	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4843	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4843	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PADEL_KR4843	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR4843	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR4843	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4843	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4843	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4843	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR4843	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4843	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4843	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4843	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4843	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4843	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4843	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4843	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR4843	S=C(NC)NC	C534134
PADEL_KR4843	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4843	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR4843	O=S(=O)(OC)[O-].[Na+]	C512425
PADEL_KR4843	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR4843	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PADEL_KR4843	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4843	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4843	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4843	NNC(=S)NC	C6610293
PADEL_KR4843	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR4843	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR4843	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR4843	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4843	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4843	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4843	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4843	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4843	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PADEL_KR4843	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PADEL_KR4843	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4843	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PADEL_KR4843	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR4843	Sc1ccc(C)cc1	C106456
PADEL_KR4843	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR4843	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PADEL_KR4843	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PADEL_KR4843	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PADEL_KR4843	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PADEL_KR4843	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PADEL_KR4843	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4843	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PADEL_KR4843	S=C1NCCN1	C96457
PADEL_KR4843	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR4843	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4843	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4843	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PADEL_KR4843	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PADEL_KR4843	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PADEL_KR4843	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4843	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PADEL_KR4843	S=C(N(C)C)SSC(=S)N(C)C	C137268
PADEL_KR4843	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PADEL_KR4843	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR4843	CSC(=NOC(=O)NC)C	C16752775
PADEL_KR4843	O=C(C)NP(=O)(OC)SC	C30560191
PADEL_KR4843	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PADEL_KR4843	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4843	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PADEL_KR4843	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR4843	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4843	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PADEL_KR4843	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR4843	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4843	CCCCSP(=O)(SCCCC)SCCCC	C78488
PADEL_KR4843	NP(=O)(OC)SC	C10265926
PADEL_KR4843	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PADEL_KR4843	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4843	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4843	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PADEL_KR4843	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PADEL_KR4843	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PADEL_KR4843	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PADEL_KR4843	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4843	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PADEL_KR4843	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4843	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PADEL_KR4843	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR4843	CN1CN(C)CSC1=S	C533744
PADEL_KR4843	C(SC#N)SC#N	C6317186
PADEL_KR4843	S=C=NC	C556616
PADEL_KR4843	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PADEL_KR4843	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4843	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PADEL_KR4843	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PADEL_KR4843	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4843	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4843	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4843	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PADEL_KR4843	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PADEL_KR4843	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PADEL_KR4843	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PADEL_KR4843	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR4843	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4843	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR4843	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PADEL_KR4843	O=P(SCCC)(OCC)SCCC	C13194484
PADEL_KR4843	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PADEL_KR4843	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PADEL_KR4843	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PADEL_KR4843	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR4843	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR4843	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PADEL_KR4843	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PADEL_KR4843	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PADEL_KR4843	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PADEL_KR4843	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PADEL_KR4843	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PADEL_KR4843	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4843	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PADEL_KR4843	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PADEL_KR4843	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4843	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4843	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PADEL_KR4843	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4843	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4843	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PADEL_KR4843	CC(C=NOC(=O)NC)(SC)C	C116063
PADEL_KR4843	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PADEL_KR4843	CNC(=S)[S-].[Na+].O.O.O	C6734801
PADEL_KR4843	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PADEL_KR4843	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4843	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4843	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4843	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PADEL_KR4843	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4843	Sc1nc2c(cccc2)s1	C149304
PADEL_KR4843	[nH]1c(=S)n(cc1)C	C60560
PADEL_KR4843	CS(=O)(=O)OC	C66273
PADEL_KR4843	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PADEL_KR4843	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PADEL_KR4843	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR4843	O=S1(=O)CCCO1	C1120714
PADEL_KR4843	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PADEL_KR4843	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4843	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PADEL_KR4843	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4843	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4843	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4843	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PADEL_KR4843	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4843	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PADEL_KR4843	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4843	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4843	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PADEL_KR4843	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4843	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PADEL_KR4843	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PADEL_KR4843	O=S(=O)(OCC)OCC	C64675
PADEL_KR4843	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR4843	O=S(=O)(OC)OC	C77781
PADEL_KR4843	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PADEL_KR4843	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PADEL_KR4843	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PADEL_KR4843	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR4843	ON=CC(C)(C)SC	C1646759
PADEL_KR4843	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4843	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR4843	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR4843	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PADEL_KR4843	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR4843	[S-]C(=S)N(C)C.[Na+]	C128041
PADEL_KR4843	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR4843	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4843	S=P(OCC)(OCC)SCSCC	C298022
PADEL_KR4843	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PADEL_KR4843	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PADEL_KR4843	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PADEL_KR4843	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PADEL_KR4843	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PADEL_KR4843	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PADEL_KR4843	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PADEL_KR4843	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PADEL_KR4843	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PADEL_KR4843	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4843	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4843	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4843	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PADEL_KR4843	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4843	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4843	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4843	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4843	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PADEL_KR4843	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4843	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4843	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PADEL_KR4843	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4843	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4843	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4843	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PADEL_KR4843	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PADEL_KR4843	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4843	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4843	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4843	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4843	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4843	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4843	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4843	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4843	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4843	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4843	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4843	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PADEL_KR4843	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PADEL_KR4843	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4843	C1(CCCCC1)SSC1CCCCC1	C2550405
PADEL_KR4843	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4843	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PADEL_KR4843	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PADEL_KR4843	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4843	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PADEL_KR4843	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4843	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4843	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4843	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4843	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4843	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4843	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4843	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4843	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4843	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4843	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PADEL_KR4843	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PADEL_KR4843	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4843	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4843	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4843	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PADEL_KR4843	S=C(NCCCC)NCCCC	C109466
PADEL_KR4843	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4843	O=CCCSC	C3268493
PADEL_KR4843	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4843	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PADEL_KR4843	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR4843	S=C(N(C)C)SC(=S)N(C)C	C97745
PADEL_KR4843	S=P(N1CC1)(N1CC1)N1CC1	C52244
PADEL_KR4843	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR4843	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR4843	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PADEL_KR4843	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PADEL_KR4843	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4843	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PADEL_KR4843	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PADEL_KR4843	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR4843	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4843	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4843	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4843	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4843	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4843	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PADEL_KR4843	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4843	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PADEL_KR4843	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PADEL_KR4843	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4843	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PADEL_KR4843	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4843	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4843	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PADEL_KR4843	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PADEL_KR4843	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PADEL_KR4843	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR4843	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PADEL_KR4843	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PADEL_KR4843	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR4843	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4843	N#CSCCCCCCCCCCCC	C765151
PADEL_KR4843	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PADEL_KR4843	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4843	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PADEL_KR4843	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PADEL_KR4843	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR4843	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PADEL_KR4843	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PADEL_KR4843	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR4843	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4843	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR4843	SC1CCCC1	C1679078
PADEL_KR4843	S=C=NCCCSC	C505793
PADEL_KR4843	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PADEL_KR4843	c1(SSc2cccs2)cccs1	C6911519
PADEL_KR4843	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4843	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR4843	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4850	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR4852	O=C(N(CCCC)CC)SCCC	C1114712
PADEL_KR4852	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PADEL_KR4852	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PADEL_KR4852	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PADEL_KR4852	CCCN(CCC)C(=O)SCC	C759944
PADEL_KR4852	O=C(SCC)N1CCCCCC1	C2212671
PADEL_KR4852	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4852	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4852	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PADEL_KR4852	O=C(N(CC)C1CCCCC1)SCC	C1134232
PADEL_KR4852	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PADEL_KR4852	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR4852	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PADEL_KR4852	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4852	O=C(SCCC)N(CCC)CCC	C1929777
PADEL_KR4852	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4852	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4852	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4853	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PADEL_KR4853	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PADEL_KR4853	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PADEL_KR4853	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PADEL_KR4853	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PADEL_KR4853	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PADEL_KR4853	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PADEL_KR4853	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PADEL_KR4853	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4853	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PADEL_KR4853	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PADEL_KR4853	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PADEL_KR4853	Sc1ccccc1	C108985
PADEL_KR4853	O=S(=O)(c1ccccc1O)O	C1333397
PADEL_KR4853	O=S(=O)(c1ccccc1)NCCCC	C3622842
PADEL_KR4853	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PADEL_KR4853	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PADEL_KR4853	O=S(=O)(c1ccc(C)cc1)N	C70553
PADEL_KR4853	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PADEL_KR4853	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PADEL_KR4853	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PADEL_KR4853	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PADEL_KR4853	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PADEL_KR4853	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PADEL_KR4853	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PADEL_KR4853	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PADEL_KR4853	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PADEL_KR4853	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PADEL_KR4853	O=S(=O)(c1cc(C)ccc1C)O	C609541
PADEL_KR4853	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PADEL_KR4853	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PADEL_KR4853	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PADEL_KR4853	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PADEL_KR4853	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PADEL_KR4853	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PADEL_KR4853	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PADEL_KR4853	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PADEL_KR4853	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PADEL_KR4853	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PADEL_KR4853	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PADEL_KR4853	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PADEL_KR4853	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PADEL_KR4853	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PADEL_KR4853	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PADEL_KR4853	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PADEL_KR4853	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PADEL_KR4853	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PADEL_KR4853	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PADEL_KR4853	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PADEL_KR4853	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PADEL_KR4853	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PADEL_KR4853	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PADEL_KR4853	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PADEL_KR4853	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PADEL_KR4853	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PADEL_KR4853	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PADEL_KR4853	Sc1ccc(C)cc1	C106456
PADEL_KR4853	Sc1ccc(C(C)(C)C)cc1	C2396681
PADEL_KR4853	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PADEL_KR4853	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PADEL_KR4853	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PADEL_KR4853	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PADEL_KR4853	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PADEL_KR4853	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PADEL_KR4853	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4853	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PADEL_KR4853	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PADEL_KR4853	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PADEL_KR4853	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PADEL_KR4853	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PADEL_KR4853	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PADEL_KR4853	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PADEL_KR4853	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PADEL_KR4853	N1c2c(cccc2)Sc2ccccc12	C92842
PADEL_KR4853	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PADEL_KR4853	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PADEL_KR4853	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PADEL_KR4853	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PADEL_KR4853	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PADEL_KR4853	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PADEL_KR4853	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PADEL_KR4853	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PADEL_KR4853	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PADEL_KR4853	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PADEL_KR4853	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PADEL_KR4853	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PADEL_KR4853	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PADEL_KR4853	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4853	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PADEL_KR4853	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PADEL_KR4853	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PADEL_KR4853	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PADEL_KR4853	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PADEL_KR4853	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PADEL_KR4853	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PADEL_KR4853	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PADEL_KR4853	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PADEL_KR4853	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PADEL_KR4853	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PADEL_KR4853	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PADEL_KR4853	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PADEL_KR4853	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4853	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PADEL_KR4853	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PADEL_KR4853	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PADEL_KR4853	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PADEL_KR4853	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PADEL_KR4853	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PADEL_KR4853	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PADEL_KR4853	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PADEL_KR4853	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PADEL_KR4853	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PADEL_KR4853	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PADEL_KR4853	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PADEL_KR4853	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PADEL_KR4853	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PADEL_KR4853	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PADEL_KR4853	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PADEL_KR4853	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PADEL_KR4853	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PADEL_KR4853	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PADEL_KR4853	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PADEL_KR4853	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PADEL_KR4853	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PADEL_KR4853	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PADEL_KR4853	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PADEL_KR4853	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PADEL_KR4853	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PADEL_KR4853	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PADEL_KR4853	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PADEL_KR4853	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PADEL_KR4853	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PADEL_KR4853	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PADEL_KR4853	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PADEL_KR4853	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PADEL_KR4853	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PADEL_KR4853	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PADEL_KR4853	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PADEL_KR4853	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PADEL_KR4853	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PADEL_KR4853	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PADEL_KR4853	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4854	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PADEL_KR4854	N#CSCSc1nc2ccccc2s1	C21564170
PADEL_KR4854	Sc1nc2c(cccc2)s1	C149304
PADEL_KR4856	O=C(O)CS	C68111
PADEL_KR4856	O=C(CS)OCC(CC)CCCC	C7659861
PADEL_KR4856	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4856	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4856	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4856	S=P(SCC(=O)NC)(OC)OC	C60515
PADEL_KR4856	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4856	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4856	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PADEL_KR4856	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PADEL_KR4856	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PADEL_KR4856	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PADEL_KR4856	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4856	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PADEL_KR4856	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PADEL_KR4856	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PADEL_KR4856	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PADEL_KR4856	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PADEL_KR4856	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PADEL_KR4856	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PADEL_KR4856	O=C(O)CSCCCCCCCCCCC	C116296312
PADEL_KR4857	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PADEL_KR4857	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PADEL_KR4857	O=C(SC)c1cccc2c1snn2	C135158542
PADEL_KR4857	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PADEL_KR4857	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PADEL_KR4857	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PADEL_KR4857	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PADEL_KR4857	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PADEL_KR4858	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PADEL_KR4858	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PADEL_KR4858	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PADEL_KR4858	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PADEL_KR4858	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PADEL_KR4858	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PADEL_KR4858	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PADEL_KR4858	O=CCCSC	C3268493
PADEL_KR4858	O=C(O)CCSCCC(=O)O	C111171
PADEL_KR4859	CCOP(=S)(OCC)SCCSCC	C298044
PADEL_KR4859	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PADEL_KR4859	OC1(C)SCC(O)(C)SC1	C55704784
PADEL_KR4860	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_0	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_0	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_0	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_0	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_0	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_0	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_0	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_0	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_0	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_0	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_0	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_0	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_0	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_0	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_0	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_0	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_0	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_0	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_0	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_0	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_0	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_0	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_0	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_0	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_0	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_0	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_0	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_0	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_0	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_0	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_0	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_0	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_0	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_0	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_0	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_0	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_0	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_0	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_0	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_0	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_0	N#C[S-].[NH4+]	C1762954
PUBCHEM_0	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_0	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_0	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_0	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_0	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_0	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_0	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_0	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_0	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_0	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_0	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_0	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_0	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_0	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_0	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_0	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_0	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_0	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_0	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_0	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_0	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_0	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_0	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_0	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_0	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_0	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_0	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_0	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_0	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_0	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_0	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_0	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_0	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_0	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_0	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_0	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_0	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_0	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_0	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_0	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_0	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_0	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_0	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_0	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_0	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_0	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_0	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_0	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_0	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_0	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_0	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_0	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_0	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_0	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_0	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_0	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_0	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_0	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_0	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_0	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_0	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_0	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_0	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_0	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_0	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_0	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_0	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_0	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_0	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_0	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_0	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_0	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_0	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_0	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_0	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_0	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_0	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_0	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_0	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_0	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_0	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_0	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_0	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_0	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_0	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_0	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_0	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_0	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_0	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_0	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_0	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_0	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_0	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_0	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_0	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_0	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_0	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_0	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_0	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_0	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_0	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_0	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_0	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_0	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_0	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_0	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_0	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_0	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_0	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_0	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_0	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_0	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_0	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_0	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_0	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_0	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_0	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_0	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_0	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_0	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_0	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_0	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_0	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_0	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_0	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_0	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_0	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_0	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_0	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_0	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_0	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_0	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_0	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_0	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_0	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_0	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_0	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_0	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_0	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_0	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_0	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_0	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_0	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_0	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_0	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_0	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_0	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_0	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_0	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_0	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_0	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_0	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_0	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_0	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_0	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_0	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_0	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_0	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_0	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_0	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_0	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_0	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_0	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_0	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_0	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_0	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_0	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_0	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
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PUBCHEM_0	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_0	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_0	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_0	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_0	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_0	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
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PUBCHEM_0	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_0	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_0	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_0	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_0	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_0	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_0	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_0	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_0	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_1	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_1	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_1	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_1	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_1	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_1	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_1	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_1	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_1	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_1	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_1	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_1	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_1	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_1	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_1	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_1	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_1	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_1	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_1	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_1	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_1	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_1	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_1	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_1	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_1	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_1	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_1	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_1	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_1	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_1	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_1	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_1	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_1	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_1	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_1	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_1	N#C[S-].[NH4+]	C1762954
PUBCHEM_1	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_1	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_1	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_1	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_1	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_1	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_1	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_1	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_1	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_1	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_1	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_1	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_1	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_1	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_1	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_1	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_1	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_1	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_1	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_1	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_1	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_1	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_1	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_1	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_1	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_1	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_1	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_1	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_1	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_1	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_1	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_1	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_1	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_1	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_1	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_1	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_1	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_1	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_1	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_1	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_1	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_1	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_1	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_1	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_1	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_1	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_1	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_1	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_1	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_1	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_1	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_1	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_1	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_1	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_1	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_1	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_1	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_1	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_1	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_1	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_1	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_1	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_1	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_1	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_1	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_1	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_1	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_1	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_1	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_1	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_1	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_1	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_1	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_1	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_1	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_1	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_1	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_1	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_1	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_1	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_1	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_1	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_1	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_1	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_1	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_1	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_1	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_1	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_1	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_1	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_1	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_1	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_1	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_1	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_1	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_1	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_1	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_1	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_1	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_1	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_1	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_1	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_1	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_1	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_1	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_1	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_1	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_1	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_1	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_1	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_1	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_1	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_1	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_1	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_1	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_1	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_1	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_1	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_1	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_1	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_1	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_1	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_1	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_1	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_1	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_1	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_1	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_1	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_1	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_1	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_1	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_1	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_1	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_1	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_1	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_1	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_1	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_1	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_1	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_1	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_1	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_1	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_1	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_1	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_1	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_1	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_1	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_1	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_1	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_1	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_1	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_1	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_1	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_1	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_1	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_1	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_1	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_1	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_1	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_1	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_1	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_1	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_1	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_1	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_1	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_1	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_1	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_1	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_1	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_1	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_1	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_1	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_1	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_1	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_1	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_1	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_1	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_1	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_1	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_2	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_2	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_2	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_2	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_2	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_2	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_2	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_2	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_2	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_2	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_2	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_2	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_2	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_2	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_2	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_2	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_2	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_2	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_2	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_2	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_2	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_2	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_2	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_2	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_2	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_2	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_2	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_2	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_2	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_2	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_2	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_2	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_2	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_2	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_2	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_2	N#C[S-].[NH4+]	C1762954
PUBCHEM_2	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_2	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_2	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_2	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_2	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_2	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_2	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_2	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_2	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_2	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_2	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_2	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_2	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_2	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_2	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_2	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_2	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_2	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_2	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_2	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_2	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_2	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_2	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_2	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_2	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_2	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_2	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_2	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_2	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_2	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_2	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_2	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_2	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_2	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_2	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_2	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_2	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_2	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_2	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_2	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_2	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_2	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_2	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_2	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_2	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_2	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_2	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_2	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_2	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_2	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_2	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_2	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_2	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_2	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_2	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_2	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_2	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_2	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_2	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_2	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_2	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_2	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_2	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_2	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_2	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_2	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_2	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_2	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_2	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_2	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_2	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_2	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_2	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_2	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_2	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_2	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_2	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_2	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_2	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_2	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_2	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_2	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_2	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_2	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_2	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_2	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_2	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_2	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_2	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_2	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_2	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_2	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_2	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_2	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_2	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_2	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_2	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_2	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_2	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_2	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_2	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_2	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_2	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_2	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_2	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_2	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_2	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_2	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_2	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_2	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_2	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_2	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_2	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_2	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_2	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_2	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_2	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_2	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_2	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_2	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_2	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_2	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_2	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_2	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_2	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_2	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_2	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_2	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_2	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_2	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_2	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_2	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_2	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_2	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_2	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_2	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_2	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_2	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_2	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_2	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_2	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_2	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_2	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_2	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_2	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_2	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_2	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_2	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_2	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_2	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_2	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_2	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_2	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_2	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_2	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_2	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_2	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_2	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_2	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_2	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_2	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_2	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_2	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_2	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_2	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_2	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_2	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_2	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_2	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_2	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_2	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_2	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_2	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_2	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_2	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_2	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_2	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_2	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_2	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_2	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_2	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_2	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_3	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_3	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_3	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_3	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_3	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_3	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_3	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_3	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_3	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_3	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_3	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_3	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_3	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_3	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_3	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_3	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_3	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_3	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_3	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_3	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_3	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_3	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_3	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_3	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_3	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_3	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_3	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_3	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_3	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_3	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_3	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_3	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_3	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_3	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_3	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_3	N#C[S-].[NH4+]	C1762954
PUBCHEM_3	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_3	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_3	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_3	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_3	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_3	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_3	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_3	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_3	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_3	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_3	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_3	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_3	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_3	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_3	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_3	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_3	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_3	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_3	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_3	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_3	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_3	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_3	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_3	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_3	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_3	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_3	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_3	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_3	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_3	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_3	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_3	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_3	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_3	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_3	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_3	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_3	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_3	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_3	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_3	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_3	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_3	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_3	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_3	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_3	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_3	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_3	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_3	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_3	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_3	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_3	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_3	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_3	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_3	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_3	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_3	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_3	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_3	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_3	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_3	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_3	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_3	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_3	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_3	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_3	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_3	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_3	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_3	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_3	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_3	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_3	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_3	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_3	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_3	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_3	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_3	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_3	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_3	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_3	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_3	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_3	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_3	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_3	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_3	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_3	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_3	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_3	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_3	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_3	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_3	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_3	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_3	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_3	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_3	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_3	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_3	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_3	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_3	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_3	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_3	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_3	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_3	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_3	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_3	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_3	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_3	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_3	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_3	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_3	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_3	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_3	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_3	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_3	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_3	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_3	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_3	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_3	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_3	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_3	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_3	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_3	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_3	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_3	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_3	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_3	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_3	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_3	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_3	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_3	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_3	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_3	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_3	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_3	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_3	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_3	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_3	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_3	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_3	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_3	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_3	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_3	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_3	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_3	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_3	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_3	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_3	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_3	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_3	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_3	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_3	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_3	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_3	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_3	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_3	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_3	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_3	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_3	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_3	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_3	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_3	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_3	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_3	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_3	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_3	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_3	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_3	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_3	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_3	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_3	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_3	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_3	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_3	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_3	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_3	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_3	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_3	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_3	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_3	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_3	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_3	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_4	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_5	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_6	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_6	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_6	OB(O)O	C10043353
PUBCHEM_7	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_7	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_7	OB(O)O	C10043353
PUBCHEM_8	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_8	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_8	OB(O)O	C10043353
PUBCHEM_9	CC(=O)N	C60355
PUBCHEM_9	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_9	C=CC#N	C107131
PUBCHEM_9	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_9	C=CCO	C107186
PUBCHEM_9	C=CCN=C=S	C57067
PUBCHEM_9	c1(nc[nH]n1)N	C61825
PUBCHEM_9	Nc1ccccc1.Cl	C142041
PUBCHEM_9	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_9	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_9	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_9	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_9	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_9	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_9	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_9	CC(=O)OCc1ccccc1	C140114
PUBCHEM_9	CC(CNCC(C)O)O	C110974
PUBCHEM_9	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_9	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_9	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_9	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_9	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_9	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_9	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_9	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_9	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_9	O=CCCl	C107200
PUBCHEM_9	ClCOC	C107302
PUBCHEM_9	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_9	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_9	NC(=N)NC#N	C461585
PUBCHEM_9	O=C1CCCCC1	C108941
PUBCHEM_9	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_9	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_9	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_9	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_9	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_9	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_9	BrCCBr	C106934
PUBCHEM_9	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_9	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_9	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_9	S=C(NCC)NCC	C105555
PUBCHEM_9	CN(C)C(=O)C	C127195
PUBCHEM_9	CN(CCO)C	C108010
PUBCHEM_9	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_9	CN(C)N	C57147
PUBCHEM_9	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_9	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_9	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_9	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_9	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_9	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_9	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_9	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_9	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_9	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_9	OC(CO)CCl	C96242
PUBCHEM_9	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_9	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_9	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_9	c1cccc2[nH]ccc12	C120729
PUBCHEM_9	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_9	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_9	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_9	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_9	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_9	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_9	COc1ccc(cc1)O	C150765
PUBCHEM_9	NC(=O)OC	C598550
PUBCHEM_9	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_9	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_9	C=Cc1ccc(cc1)C	C622979
PUBCHEM_9	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_9	NC(=O)c1cccnc1	C98920
PUBCHEM_9	OC(=O)c1cccnc1	C59676
PUBCHEM_9	O=[N+](CC)[O-]	C79243
PUBCHEM_9	CN(C(=O)N)N=O	C684935
PUBCHEM_9	CN(N=O)C	C62759
PUBCHEM_9	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_9	O=NN1CCCC1	C930552
PUBCHEM_9	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_9	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_9	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_9	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_9	Nc1ccc(cc1)N	C106503
PUBCHEM_9	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_9	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_9	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_9	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_9	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_9	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_9	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_9	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_9	NC(=S)N	C62566
PUBCHEM_9	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_9	Nc1ccccc1C.Cl	C636215
PUBCHEM_9	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_9	ClCC(Cl)CCl	C96184
PUBCHEM_9	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_9	O=P(OC)(OC)OC	C512561
PUBCHEM_9	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_9	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_9	O=CCc1ccccc1	C122781
PUBCHEM_9	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_9	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_9	OCCOCCOCCOCCCC	C143226
PUBCHEM_9	CCCCCCCCCC=O	C112312
PUBCHEM_9	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_9	O=CCCCCCC	C111717
PUBCHEM_9	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_9	CCCCCCCCC=O	C124196
PUBCHEM_9	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_9	OC(=O)CCCC	C109524
PUBCHEM_9	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_9	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_9	CS(=O)C	C67685
PUBCHEM_9	OCCC	C71238
PUBCHEM_9	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_9	OC(C)CN	C78966
PUBCHEM_9	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_9	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_9	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_9	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_9	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_9	O=Cc1ccccc1O	C90028
PUBCHEM_9	Oc1cccc2ccccc12	C90153
PUBCHEM_9	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_9	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_9	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_9	ON=C1CCCCC1	C100641
PUBCHEM_9	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_9	OCCN1CCNCC1	C103764
PUBCHEM_9	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_9	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_9	Oc1ccc(Cl)cc1	C106489
PUBCHEM_9	CC(O)CC(C)(C)O	C107415
PUBCHEM_9	CCCC(=O)C	C107879
PUBCHEM_9	C1CCCCC1O	C108930
PUBCHEM_9	N#CCC#N	C109773
PUBCHEM_9	CCCCCC(=O)C	C110430
PUBCHEM_9	C(O)C#CCO	C110656
PUBCHEM_9	CCNCCO	C110736
PUBCHEM_9	CCCCCCO	C111273
PUBCHEM_9	CCCCCCCO	C111706
PUBCHEM_9	CCCCCCCCCC(=O)C	C112129
PUBCHEM_9	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_9	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_9	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_9	Oc1ccc(CC)cc1	C123079
PUBCHEM_9	CCCCCC(=O)OCC	C123660
PUBCHEM_9	CCCCCCCCCCCCN	C124221
PUBCHEM_9	NCCN1CCNCC1	C140318
PUBCHEM_9	CCCCCCCCCO	C143088
PUBCHEM_9	COc1ccc(OC)cc1	C150787
PUBCHEM_9	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_9	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_9	O=C(OC(C)(C)C)C	C540885
PUBCHEM_9	Oc1ccc(CCC)cc1	C645567
PUBCHEM_9	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_9	C=CC(Cl)CCl	C760236
PUBCHEM_9	C=CC(=O)OCCO	C818611
PUBCHEM_9	CC/C=C\CCO	C928961
PUBCHEM_9	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_9	CCCCCCCCCCN	C2016571
PUBCHEM_9	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_9	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_9	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_9	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_9	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_9	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_9	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_9	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_9	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_9	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_9	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_9	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_9	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_9	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_9	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_9	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_9	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_9	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_9	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_9	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_9	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_9	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_9	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_9	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_9	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_9	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_9	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_9	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_9	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_9	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_9	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_9	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_9	c1(c(CC)cccc1)O	C90006
PUBCHEM_9	c1c(O)cccc1CC	C620177
PUBCHEM_9	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_9	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_9	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_9	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_9	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_9	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_9	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_9	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_9	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_9	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_9	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_9	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_9	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_9	c1cccc(OC)c1O	C90051
PUBCHEM_9	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_9	C(=O)(O)C(C)O	C50215
PUBCHEM_9	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_9	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_9	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_9	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_9	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_9	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_9	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_9	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_9	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_9	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_9	NC(CO)(CO)CO	C77861
PUBCHEM_9	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_9	C[Si](=O)C	C9016006
PUBCHEM_9	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_9	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_9	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_9	Cl/C=C/Cl	C156605
PUBCHEM_9	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_9	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_9	CNC	C124403
PUBCHEM_9	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_9	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_9	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_9	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_9	CC(=C)C#N	C126987
PUBCHEM_9	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_9	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_9	Cc1cc(O)ccc1	C108394
PUBCHEM_9	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_9	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_9	CC(O)COC	C107982
PUBCHEM_9	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_9	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_9	O=C(N)N=NC(=O)N	C123773
PUBCHEM_9	c1ccc2ncsc2c1	C95169
PUBCHEM_9	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_9	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_9	ON=CCCC	C110690
PUBCHEM_9	OCCCCO	C110634
PUBCHEM_9	O=C(OCCCC)C=C	C141322
PUBCHEM_9	C(C)(C)(C)N	C75649
PUBCHEM_9	C(OCCCC)C1CO1	C2426086
PUBCHEM_9	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_9	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_9	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_9	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_9	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_9	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_9	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_9	C(CCN)CCCN	C124094
PUBCHEM_9	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_9	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_9	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_9	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_9	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_9	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_9	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_9	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_9	N(CCN)CCN	C111400
PUBCHEM_9	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_9	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_9	N(CCCN)(C)C	C109557
PUBCHEM_9	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_9	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_9	OCNC(=O)NCO	C140954
PUBCHEM_9	Cc1c(C)cccc1O	C526750
PUBCHEM_9	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_9	C=Cc1ccccc1C=C	C1321740
PUBCHEM_9	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_9	C(CCCCCC)CCCCCS	C112550
PUBCHEM_9	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_9	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_9	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_9	C(CC)(C=O)CCCC	C123057
PUBCHEM_9	OCC(C(O)CCC)CC	C94962
PUBCHEM_9	CCC(=CCCC)C=O	C645625
PUBCHEM_9	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_9	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_9	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_9	c1c(CO)occ1	C98000
PUBCHEM_9	O=CCCCC=O	C111308
PUBCHEM_9	C(=O)(O)CO	C79141
PUBCHEM_9	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_9	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_9	C(C)(C)(O)C#N	C75865
PUBCHEM_9	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_9	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_9	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_9	O(C(C)C)C(=O)C	C108214
PUBCHEM_9	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_9	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_9	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_9	N#CC(CCC#N)C	C4553622
PUBCHEM_9	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_9	C1COCCN1	C110918
PUBCHEM_9	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_9	C(CCCCCCC)C	C111842
PUBCHEM_9	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_9	C(=O)(O)C(=O)O	C144627
PUBCHEM_9	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_9	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_9	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_9	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_9	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_9	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_9	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_9	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_9	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_9	c12ccccc1CCCC2	C119642
PUBCHEM_9	O=C(O)CS	C68111
PUBCHEM_9	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_9	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_9	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_9	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_9	N(C)(C)C	C75503
PUBCHEM_9	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_9	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_9	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_9	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_9	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_9	Cc1cccc(C)c1	C108383
PUBCHEM_9	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_9	OCCc1ccccc1	C60128
PUBCHEM_9	O=C(O)c1ccccc1O	C69727
PUBCHEM_9	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_9	N#CC(C)C	C78820
PUBCHEM_9	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_9	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_9	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_9	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_9	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_9	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_9	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_9	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_9	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_9	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_9	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_9	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_9	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_9	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_9	O=C1OCC(C)O1	C108327
PUBCHEM_9	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_9	Sc1ccccc1	C108985
PUBCHEM_9	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_9	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_9	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_9	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_9	N1CCCCCC1	C111499
PUBCHEM_9	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_9	O=C(C)OCCOCCCC	C112072
PUBCHEM_9	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_9	OCCOCCOCCOC	C112356
PUBCHEM_9	OCCOCCOCCOCCO	C112607
PUBCHEM_9	OCC(CO)(CO)CO	C115775
PUBCHEM_9	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_9	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_9	OC(CCCCCC)C	C123966
PUBCHEM_9	OCC(N)(C)C	C124685
PUBCHEM_9	OCC(C)(C)CO	C126307
PUBCHEM_9	Oc1ccc2ccccc2c1	C135193
PUBCHEM_9	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_9	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_9	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_9	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_9	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_9	Brc1ccc(F)cc1	C460004
PUBCHEM_9	C1=CC=CC1	C542927
PUBCHEM_9	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_9	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_9	O=C1NCCC1	C616455
PUBCHEM_9	O=COC(C)C	C625558
PUBCHEM_9	ClP(c1ccccc1)Cl	C644973
PUBCHEM_9	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_9	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_9	OC(C)COc1ccccc1	C770354
PUBCHEM_9	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_9	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_9	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_9	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_9	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_9	Nc1cccc(C)c1C	C1300738
PUBCHEM_9	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_9	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_9	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_9	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_9	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_9	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_9	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_9	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_9	NNC(=S)NN	C2231574
PUBCHEM_9	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_9	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_9	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_9	OCCOCCC	C2807309
PUBCHEM_9	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_9	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_9	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_9	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_9	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_9	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_9	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_9	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_9	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_9	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_9	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_9	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_9	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_9	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_9	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_9	Nc1c(C)cccc1CC	C24549062
PUBCHEM_9	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_9	Clc1cccc(C)c1	C25168052
PUBCHEM_9	CC(CO)O	C25322694
PUBCHEM_9	SC(C)(C)CCCCCC	C25360105
PUBCHEM_9	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_9	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_9	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_9	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_9	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_9	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_9	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_9	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_9	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_9	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_9	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_9	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_9	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_9	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_9	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_9	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_9	OCC1OCCC1	C97994
PUBCHEM_9	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_9	CN1CCOCC1	C109024
PUBCHEM_9	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_9	O=C1CCCC1	C120923
PUBCHEM_9	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_9	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_9	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_9	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_9	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_9	O=C(C=C(C)C)C	C141797
PUBCHEM_9	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_9	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_9	OC(C)COCCC	C1569013
PUBCHEM_9	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_9	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_9	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_9	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_9	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_9	OCC(CCC)CCCCC	C10042598
PUBCHEM_9	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_9	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_9	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_9	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_9	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_9	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_9	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_9	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_9	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_9	n1c[nH]cc1	C288324
PUBCHEM_9	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_9	N#C[S-].[NH4+]	C1762954
PUBCHEM_9	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_9	OC(OCCCC)CC	C29387868
PUBCHEM_9	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_9	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_9	ClC(Cl)(C)C	C594207
PUBCHEM_9	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_9	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_9	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_9	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_9	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_9	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_9	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_9	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_9	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_9	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_9	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_9	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_9	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_9	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_9	OCn1nc(C)cc1C	C85264331
PUBCHEM_9	OCCSCCCCCCCC	C3547339
PUBCHEM_9	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_9	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_9	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_9	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_9	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_9	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_9	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_9	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_9	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_9	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_9	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_9	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_9	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_9	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_9	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_9	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_9	OC1CCCC1	C96413
PUBCHEM_9	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_9	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_9	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_9	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_9	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_9	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_9	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_9	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_9	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_9	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_9	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_9	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_9	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_9	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_9	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_9	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_9	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_9	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_9	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_9	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_9	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_9	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_9	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_9	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_9	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_9	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_9	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_9	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_9	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_9	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_9	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_9	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_9	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_9	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_9	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_9	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_9	OC(CCCCC)C=C	C3391864
PUBCHEM_9	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_9	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_9	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_9	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_9	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_9	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_9	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_9	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_9	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_9	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_9	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_9	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_9	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_9	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_9	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_9	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_9	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_9	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_9	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_9	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_9	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_9	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_9	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_9	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_9	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_9	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_9	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_9	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_9	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_9	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_9	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_9	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_9	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_9	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_9	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_9	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_9	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_9	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_9	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_9	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_9	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_9	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_9	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_9	O=C(CC)OCC	C105373
PUBCHEM_9	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_9	O=C(c1ccccc1O)C	C118934
PUBCHEM_9	O=C1OCC(CC)O1	C4437858
PUBCHEM_9	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_9	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_9	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_9	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_9	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_9	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_9	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_9	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_9	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_9	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_9	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_9	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_9	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_9	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_9	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_9	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_9	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_9	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_9	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_9	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_9	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_9	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_9	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_9	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_9	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_9	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_9	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_9	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_9	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_9	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_9	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_9	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_9	CC(O)COCC	C1569024
PUBCHEM_9	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_9	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_9	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_9	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_9	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_9	Oc1ccccc1CN(C)C	C120650
PUBCHEM_9	O=C1CCC(O1)CC	C695067
PUBCHEM_9	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_9	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_9	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_9	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_9	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_9	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_9	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_9	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_9	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_9	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_9	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_9	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_9	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_9	O=C/C=C/CCC	C6728263
PUBCHEM_9	O1C=CCCC1	C110872
PUBCHEM_9	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_9	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_9	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_9	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_9	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_9	OCC=Cc1ccccc1	C104541
PUBCHEM_9	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_9	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_9	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_9	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_9	NCCCN1CCOCC1	C123002
PUBCHEM_9	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_9	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_9	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_9	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_9	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_9	O=C(CCC)OCCCCC	C540181
PUBCHEM_9	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_9	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_9	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_9	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_9	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_9	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_9	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_9	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_9	N#Cc1c(O)cccc1	C611201
PUBCHEM_9	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_9	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_9	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_9	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_9	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_9	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_9	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_9	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_9	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_9	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_9	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_9	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_9	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_9	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_9	OP(OCC)OCC	C762049
PUBCHEM_9	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_9	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_9	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_9	OCCOCC(CC)CCCC	C1559359
PUBCHEM_9	O=C(CC)CCCCC	C106683
PUBCHEM_9	OCCN(CC)CCO	C139877
PUBCHEM_9	CCOC(OCC)OCC	C122510
PUBCHEM_9	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_9	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_9	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_9	O=C(CF)O	C144490
PUBCHEM_9	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_9	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_9	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_9	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_9	c12ccccc1CC=C2	C95136
PUBCHEM_9	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_9	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_9	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_9	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_9	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_9	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_9	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_9	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_9	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_9	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_9	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_9	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_9	S=C(NC)NC	C534134
PUBCHEM_9	OC(C)C(=O)OCCCC	C138227
PUBCHEM_9	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_9	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_9	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_9	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_9	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_9	Oc1c(OCC)cccc1	C94713
PUBCHEM_9	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_9	COc1ccc(CCC)cc1	C104450
PUBCHEM_9	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_9	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_9	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_9	CO[Si](C)(C)OC	C1112396
PUBCHEM_9	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_9	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_9	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_9	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_9	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_9	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_9	OC(CO)c1ccccc1	C93561
PUBCHEM_9	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_9	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_9	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_9	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_9	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_9	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_9	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_9	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_9	O=C(N)Nc1ccccc1	C64108
PUBCHEM_9	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_9	O=C(C)OCCCCCCCC	C112141
PUBCHEM_9	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_9	NNC(=S)NC	C6610293
PUBCHEM_9	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_9	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_9	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_9	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_9	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_9	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_9	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_9	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_9	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_9	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_9	NCCN.I.I	C5700492
PUBCHEM_9	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_9	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_9	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_9	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_9	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_9	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_9	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_9	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_9	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_9	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_9	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_9	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_9	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_9	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_9	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_9	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_9	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_9	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_9	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_9	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_9	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_9	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_9	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_9	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_9	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_9	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_9	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_9	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_9	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_9	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_9	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_9	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_9	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_9	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_9	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_9	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_9	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_9	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_9	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_9	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_9	OCCOCC(C)OCCO	C9003116
PUBCHEM_9	O=C1OC(CCC)CC1	C105215
PUBCHEM_9	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_9	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_9	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_9	C=O	C50000
PUBCHEM_9	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_9	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_9	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_9	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_9	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_9	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_9	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_9	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_9	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_9	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_9	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_9	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_9	Sc1ccc(C)cc1	C106456
PUBCHEM_9	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_9	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_9	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_9	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_9	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_9	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_9	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_9	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_9	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_9	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_9	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_9	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_9	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_9	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_9	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_9	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_9	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_9	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_9	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_9	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_9	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_9	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_9	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_9	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_9	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_9	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_9	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_9	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_9	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_9	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_9	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_9	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_9	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_9	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_9	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_9	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_9	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_9	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_9	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_9	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_9	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_9	C[As](=O)(C)O	C75605
PUBCHEM_9	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_9	S=C1NCCN1	C96457
PUBCHEM_9	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_9	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_9	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_9	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_9	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_9	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_9	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_9	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_9	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_9	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_9	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_9	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_9	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_9	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_9	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_9	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_9	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_9	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_9	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_9	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_9	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_9	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_9	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_9	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_9	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_9	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_9	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_9	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_9	c1ccccc1OCCO	C122996
PUBCHEM_9	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_9	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_9	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_9	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_9	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_9	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_9	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_9	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_9	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_9	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_9	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_9	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_9	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_9	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_9	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_9	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_9	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_9	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_9	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_9	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_9	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_9	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_9	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_9	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_9	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_9	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_9	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_9	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_9	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_9	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_9	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_9	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_9	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_9	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_9	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_9	ClCCP(=O)(O)O	C16672870
PUBCHEM_9	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_9	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_9	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_9	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_9	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_9	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_9	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_9	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_9	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_9	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_9	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_9	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_9	NP(=O)(OC)SC	C10265926
PUBCHEM_9	OCCOC	C109864
PUBCHEM_9	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_9	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_9	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_9	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_9	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_9	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_9	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_9	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_9	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_9	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_9	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_9	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_9	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_9	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_9	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_9	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_9	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_9	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_9	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_9	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_9	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_9	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_9	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_9	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_9	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_9	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_9	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_9	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_9	CN1CN(C)CSC1=S	C533744
PUBCHEM_9	C(SC#N)SC#N	C6317186
PUBCHEM_9	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_9	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_9	S=C=NC	C556616
PUBCHEM_9	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_9	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_9	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_9	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_9	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_9	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_9	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_9	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_9	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_9	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_9	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_9	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_9	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_9	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_9	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_9	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_9	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_9	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_9	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_9	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_9	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_9	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_9	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_9	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_9	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_9	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_9	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_9	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_9	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_9	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_9	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_9	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_9	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_9	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_9	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_9	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_9	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_9	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_9	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_9	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_9	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_9	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_9	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_9	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_9	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_9	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_9	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_9	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_9	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_9	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_9	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_9	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_9	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_9	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_9	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_9	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_9	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_9	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_9	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_9	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_9	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_9	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_9	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_9	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_9	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_9	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_9	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_9	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_9	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_9	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_9	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_9	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_9	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_9	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_9	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_9	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_9	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_9	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_9	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_9	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_9	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_9	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_9	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_9	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_9	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_9	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_9	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_9	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_9	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_9	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_9	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_9	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_9	N#CN	C420042
PUBCHEM_9	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_9	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_9	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_9	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_9	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_9	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_9	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_9	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_9	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_9	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_9	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_9	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_9	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_9	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_9	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_9	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_9	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_9	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_9	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_9	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_9	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_9	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_9	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_9	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_9	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_9	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_9	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_9	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_9	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_9	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_9	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_9	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_9	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_9	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_9	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_9	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_9	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_9	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_9	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_9	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_9	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_9	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_9	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_9	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_9	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_9	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_9	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_9	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_9	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_9	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_9	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_9	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_9	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_9	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_9	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_9	NC(=O)C=C	C79061
PUBCHEM_9	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_9	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_9	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_9	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_9	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_9	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_9	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_9	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_9	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_9	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_9	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_9	c1coc2c1cccc2	C271896
PUBCHEM_9	OC(=O)c1ccccc1	C65850
PUBCHEM_9	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_9	OCc1ccccc1	C100516
PUBCHEM_9	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_9	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_9	ClCCOCCCl	C111444
PUBCHEM_9	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_9	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_9	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_9	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_9	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_9	O=C1CCCO1	C96480
PUBCHEM_9	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_9	O=C1CCCCCN1	C105602
PUBCHEM_9	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_9	Oc1c(cccc1)O	C120809
PUBCHEM_9	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_9	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_9	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_9	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_9	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_9	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_9	O=C(c1ccccc1)CCl	C532274
PUBCHEM_9	Nc1ccc(cc1)Cl	C106478
PUBCHEM_9	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_9	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_9	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_9	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_9	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_9	Nc1cc(ccc1OC)C	C120718
PUBCHEM_9	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_9	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_9	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_9	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_9	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_9	OC(=O)C(Cl)Cl	C79436
PUBCHEM_9	Clc1c(cccc1)Cl	C95501
PUBCHEM_9	Clc1ccc(cc1)Cl	C106467
PUBCHEM_9	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_9	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_9	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_9	OCCOCCO	C111466
PUBCHEM_9	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_9	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_9	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_9	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_9	CN(c1ccccc1)C	C121697
PUBCHEM_9	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_9	O=C(N(C)C)Cl	C79447
PUBCHEM_9	CN(C=O)C	C68122
PUBCHEM_9	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_9	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_9	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_9	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_9	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_9	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_9	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_9	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_9	C(CO)O	C107211
PUBCHEM_9	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_9	CCC(CCCC)CO	C104767
PUBCHEM_9	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_9	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_9	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_9	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_9	O=Cc1ccco1	C98011
PUBCHEM_9	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_9	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_9	OCC(O)CO	C56815
PUBCHEM_9	OCC1CO1	C556525
PUBCHEM_9	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_9	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_9	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_9	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_9	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_9	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_9	Oc1ccc(cc1)O	C123319
PUBCHEM_9	Oc1cccc2cccnc12	C148243
PUBCHEM_9	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_9	O=C(c1ccncc1)NN	C54853
PUBCHEM_9	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_9	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_9	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_9	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_9	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_9	CS(=O)(=O)OC	C66273
PUBCHEM_9	O=C1N(CCC1)C	C872504
PUBCHEM_9	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_9	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_9	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_9	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_9	Cc1cc2cccnc2cc1	C91623
PUBCHEM_9	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_9	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_9	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_9	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_9	c1c2c(ccc1)cccc2	C91203
PUBCHEM_9	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_9	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_9	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_9	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_9	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_9	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_9	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_9	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_9	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_9	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_9	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_9	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_9	O=NN(CCCC)CCCC	C924163
PUBCHEM_9	CCN(CC)N=O	C55185
PUBCHEM_9	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_9	O=NN(CCC)CCC	C621647
PUBCHEM_9	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_9	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_9	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_9	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_9	Oc1ccccc1	C108952
PUBCHEM_9	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_9	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_9	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_9	Nc1cc(ccc1)N	C108452
PUBCHEM_9	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_9	C1CNCCN1	C110850
PUBCHEM_9	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_9	O=S1(=O)CCCO1	C1120714
PUBCHEM_9	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_9	CC(CO)O	C57556
PUBCHEM_9	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_9	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_9	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_9	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_9	Oc1cc(ccc1)O	C108463
PUBCHEM_9	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_9	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_9	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_9	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_9	OC(=O)C=CC=CC	C110441
PUBCHEM_9	C1C(c2ccccc2)O1	C96093
PUBCHEM_9	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_9	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_9	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_9	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_9	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_9	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_9	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_9	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_9	OCCN(CCO)CCO	C102716
PUBCHEM_9	OCCOCCOCCO	C112276
PUBCHEM_9	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_9	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_9	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_9	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_9	C(=O)(N)N	C57136
PUBCHEM_9	NC(=O)OCC	C51796
PUBCHEM_9	O=C1N(C=C)CCC1	C88120
PUBCHEM_9	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_9	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_9	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_9	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_9	OC(=O)CCC	C107926
PUBCHEM_9	CCCCOCCOCCO	C112345
PUBCHEM_9	Oc1ccccc1Cl	C95578
PUBCHEM_9	CCCCCCCCCC(=O)O	C334485
PUBCHEM_9	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_9	O=C(O)CCCCCC	C111148
PUBCHEM_9	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_9	CCCCCC(=O)O	C142621
PUBCHEM_9	CCCCCCCCC(=O)O	C112050
PUBCHEM_9	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_9	CCCCCCCC=O	C124130
PUBCHEM_9	CCCCCCCC(=O)O	C124072
PUBCHEM_9	CCCCC=O	C110623
PUBCHEM_9	CCCCCCCCCCC	C1120214
PUBCHEM_9	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_9	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_9	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_9	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_9	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_9	n1cccc2c1cccc2	C91225
PUBCHEM_9	CCN(CC)c1ccccc1	C91667
PUBCHEM_9	Oc1c(C)cccc1	C95487
PUBCHEM_9	CCC(=NO)C	C96297
PUBCHEM_9	c1ccccc1C(=O)C	C98862
PUBCHEM_9	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_9	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_9	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_9	CCN(CCO)CC	C100378
PUBCHEM_9	CCNc1cc(C)ccc1	C102272
PUBCHEM_9	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_9	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_9	Oc1ccc(C)cc1	C106445
PUBCHEM_9	Nc1ccc(C)cc1	C106490
PUBCHEM_9	ClCCO	C107073
PUBCHEM_9	CC(=O)OCCOCC	C111159
PUBCHEM_9	OCCNCCO	C111422
PUBCHEM_9	N#CCCCCC#N	C111693
PUBCHEM_9	CCCCCCCCO	C111875
PUBCHEM_9	CCOCCOCCO	C111900
PUBCHEM_9	CCCCCCCCCCO	C112301
PUBCHEM_9	CCCCCCCCCCCCCO	C112709
PUBCHEM_9	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_9	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_9	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_9	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_9	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_9	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_9	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_9	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_9	OCCN	C141435
PUBCHEM_9	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_9	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_9	Clc1cc(Cl)ccc1	C541731
PUBCHEM_9	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_9	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_9	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_9	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_9	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_9	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_9	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_9	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_9	c1(CCCC)ccccc1	C104518
PUBCHEM_9	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_9	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_9	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_9	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_9	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_9	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_9	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_9	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_9	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_9	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_9	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_9	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_9	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_9	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_9	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_9	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_9	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_9	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_9	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_9	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_9	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_9	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_9	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_9	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_9	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_9	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_9	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_9	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_9	Nc1c(OC)cccc1	C90040
PUBCHEM_9	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_9	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_9	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_9	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_9	Cc1ccccc1Cl	C95498
PUBCHEM_9	NC1CCCCC1	C108918
PUBCHEM_9	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_9	O=S(=O)(OCC)OCC	C64675
PUBCHEM_9	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_9	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_9	O=S(=O)(OC)OC	C77781
PUBCHEM_9	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_9	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_9	Oc1c(cccc1C)C	C576261
PUBCHEM_9	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_9	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_9	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_9	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_9	CCOCCO	C110805
PUBCHEM_9	CCCCOCCO	C111762
PUBCHEM_9	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_9	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_9	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_9	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_9	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_9	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_9	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_9	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_9	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_9	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_9	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_9	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_9	OCCOCCOCCOCC	C112505
PUBCHEM_9	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_9	ON=CC(C)(C)SC	C1646759
PUBCHEM_9	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_9	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_9	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_9	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_9	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_9	O(CCOC)CCOC	C111966
PUBCHEM_9	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_9	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_9	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_9	Cc1ccc(Cl)cc1	C106434
PUBCHEM_9	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_9	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_9	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_9	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_9	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_9	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_9	C(CCCCCCCC)C	C124185
PUBCHEM_9	Nc1cc(C)ccc1N	C496720
PUBCHEM_9	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_9	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_9	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_9	OC(CCl)CCl	C96231
PUBCHEM_9	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_9	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_9	O(CCOC)CCO	C111773
PUBCHEM_9	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_9	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_9	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_9	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_9	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_9	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_9	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_9	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_9	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_9	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_9	N(c1ccccc1)CC	C103695
PUBCHEM_9	O=C(O)C(CCCC)CC	C149575
PUBCHEM_9	C(=O)(N)NO	C127071
PUBCHEM_9	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_9	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_9	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_9	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_9	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_9	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_9	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_9	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_9	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_9	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_9	Nc1c(N)cccc1	C95545
PUBCHEM_9	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_9	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_9	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_9	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_9	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_9	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_9	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_9	Nc1c(cccc1)C	C95534
PUBCHEM_9	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_9	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_9	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_9	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_9	C(OCCOC)COCCOC	C112492
PUBCHEM_9	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_9	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_9	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_9	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_9	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_9	Nc1c(cccc1C)C	C87627
PUBCHEM_9	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_9	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_9	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_9	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_9	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_9	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_9	N#Cc1cnccc1	C100549
PUBCHEM_9	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_9	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_9	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_9	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_9	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_9	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_9	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_9	OCCC(O)C	C107880
PUBCHEM_9	OC(CC(C)C)C	C108112
PUBCHEM_9	Nc1cccc(C)c1	C108441
PUBCHEM_9	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_9	O=C(OC)CCCCCCC	C111115
PUBCHEM_9	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_9	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_9	OCCOCCCCCC	C112254
PUBCHEM_9	OCCCCCCCCCCC	C112425
PUBCHEM_9	OCCCCCCCCCCCC	C112538
PUBCHEM_9	OCCCCCCCCCCCCCC	C112721
PUBCHEM_9	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_9	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_9	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_9	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_9	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_9	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_9	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_9	[nH]1ncnc1	C288880
PUBCHEM_9	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_9	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_9	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_9	Nc1c(CC)cccc1CC	C579668
PUBCHEM_9	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_9	O=C(C)OCCCCC	C628637
PUBCHEM_9	CCCCCCCCCCCCCCC	C629629
PUBCHEM_9	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_9	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_9	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_9	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_9	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_9	Nc1cccc(C)c1N	C2687254
PUBCHEM_9	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_9	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_9	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_9	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_9	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_9	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_9	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_9	OC(OC(O)CC)CC	C25265718
PUBCHEM_9	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_9	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_9	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_9	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_9	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_9	OC(OCCCOC)CC	C34590948
PUBCHEM_9	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_9	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_9	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_9	O=C(OC)CC(=O)OC	C108598
PUBCHEM_9	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_9	CCC12N(COC1)COC2	C7747355
PUBCHEM_9	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_9	O=C(N)C(=C)C	C79390
PUBCHEM_9	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_9	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_9	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_9	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_9	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_9	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_9	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_9	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_9	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_9	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_9	O=Cc1ccccc1C=O	C643798
PUBCHEM_9	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_9	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_9	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_9	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_9	Nn1cnnc1	C584134
PUBCHEM_9	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_9	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_9	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_9	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_9	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_9	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_9	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_9	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_9	CCCCCCCCN(C)C	C7378996
PUBCHEM_9	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_9	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_9	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_9	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_9	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_9	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_9	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_9	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_9	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_9	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_9	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_9	O=C(CCC)OCC	C105544
PUBCHEM_9	O=C(OCC)CCCCCC	C106309
PUBCHEM_9	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_9	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_9	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_9	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_9	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_9	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_9	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_9	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_9	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_9	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_9	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_9	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_9	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_9	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_9	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_9	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_9	CCCc1ccccc1	C103651
PUBCHEM_9	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_9	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_9	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_9	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_9	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_9	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_9	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_9	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_9	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_9	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_9	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_9	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_9	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_9	CC(C)(C)c1ccccc1	C98066
PUBCHEM_9	O=C(C)NC	C79163
PUBCHEM_9	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_9	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_9	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_9	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_9	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_9	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_9	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_9	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_9	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_9	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_9	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_9	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_9	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_9	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_9	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_9	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_9	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_9	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_9	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_9	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_9	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_9	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_9	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_9	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_9	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_9	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_9	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_9	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_9	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_9	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_9	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_9	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_9	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_9	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_9	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_9	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_9	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_9	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_9	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_9	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_9	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_9	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_9	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_9	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_9	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_9	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_9	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_9	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_9	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_9	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_9	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_9	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_9	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_9	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_9	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_9	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_9	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_9	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_9	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_9	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_9	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_9	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_9	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_9	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_9	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_9	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_9	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_9	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_9	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_9	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_9	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_9	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_9	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_9	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_9	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_9	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_9	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_9	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_9	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_9	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_9	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_9	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_9	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_9	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_9	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_9	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_9	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_9	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_9	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_9	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_9	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_9	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_9	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_9	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_9	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_9	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_9	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_9	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_9	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_9	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_9	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_9	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_9	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_9	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_9	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_9	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_9	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_9	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_9	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_9	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_9	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_9	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_9	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_9	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_9	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_9	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_9	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_9	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_9	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_9	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_9	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_9	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_9	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_9	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_9	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_9	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_9	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_9	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_9	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_9	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_9	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_9	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_9	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_9	C(=O)N	C75127
PUBCHEM_9	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_9	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_9	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_9	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_9	N#CC(Br)Br	C3252435
PUBCHEM_9	OCCCBr	C627189
PUBCHEM_9	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_9	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_9	C(=O)(C)O	C64197
PUBCHEM_9	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_9	C(CO)C(C)C	C123513
PUBCHEM_9	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_9	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_9	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_9	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_9	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_9	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_9	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_9	NCCOCCOCCN	C929599
PUBCHEM_9	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_9	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_9	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_9	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_9	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_9	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_9	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_9	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_9	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_9	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_9	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_9	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_9	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_9	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_9	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_9	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_9	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_9	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_9	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_9	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_9	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_9	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_9	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_9	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_9	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_9	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_9	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_9	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_9	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_9	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_9	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_9	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_9	OCCC(OC)C	C2517433
PUBCHEM_9	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_9	S=C(NCCCC)NCCCC	C109466
PUBCHEM_9	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_9	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_9	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_9	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_9	O=COCC	C109944
PUBCHEM_9	O=C(OCC)c1ccccc1	C93890
PUBCHEM_9	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_9	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_9	NCc1cccc(CN)c1	C1477550
PUBCHEM_9	O=CCCSC	C3268493
PUBCHEM_9	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_9	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_9	N(CCN(C)C)(C)C	C110189
PUBCHEM_9	CCN(CC)CC	C121448
PUBCHEM_9	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_9	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_9	CC(=O)OCC	C141786
PUBCHEM_9	CC(=O)OCCCC	C123864
PUBCHEM_9	CC(=O)CCC(C)C	C110123
PUBCHEM_9	n1cc(C)ccc1	C108996
PUBCHEM_9	CC(=O)CC(C)C	C108101
PUBCHEM_9	NCCN	C107153
PUBCHEM_9	CC(C)C=O	C78842
PUBCHEM_9	CCCCCC=O	C66251
PUBCHEM_9	CCCC=O	C123728
PUBCHEM_9	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_9	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_9	CCC1CO1	C106887
PUBCHEM_9	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_9	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_9	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_9	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_9	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_9	CC1CC(=O)O1	C3068880
PUBCHEM_9	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_9	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_9	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_9	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_9	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_9	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_9	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_9	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_9	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_9	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_9	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_9	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_9	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_9	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_9	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_9	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_9	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_9	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_9	NNc1ccccc1.Cl	C59881
PUBCHEM_9	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_9	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_9	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_9	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_9	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_9	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_9	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_9	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_9	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_9	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_9	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_9	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_9	N#Cc1ccccc1	C100470
PUBCHEM_9	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_9	O=C(CCl)CCl	C534076
PUBCHEM_9	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_9	CC(=O)C(=O)O	C127173
PUBCHEM_9	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_9	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_9	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_9	Nc1ccc(Br)cc1	C106401
PUBCHEM_9	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_9	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_9	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_9	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_9	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_9	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_9	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_9	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_9	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_9	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_9	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_9	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_9	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_9	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_9	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_9	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_9	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_9	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_9	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_9	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_9	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_9	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_9	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_9	Nc1ccc(OC)cc1	C104949
PUBCHEM_9	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_9	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_9	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_9	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_9	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_9	O=CC=CC=CCCCCC	C25152845
PUBCHEM_9	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_9	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_9	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_9	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_9	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_9	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_9	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_9	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_9	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_9	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_9	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_9	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_9	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_9	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_9	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_9	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_9	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_9	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_9	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_9	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_9	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_9	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_9	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_9	OCC=C(C)C	C556821
PUBCHEM_9	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_9	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_9	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_9	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_9	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_9	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_9	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_9	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_9	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_9	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_9	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_9	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_9	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_9	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_9	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_9	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_9	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_9	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_9	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_9	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_9	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_9	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_9	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_9	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_9	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_9	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_9	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_9	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_9	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_9	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_9	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_9	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_9	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_9	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_9	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_9	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_9	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_9	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_9	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_9	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_9	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_9	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_9	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_9	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_9	O=CCCCCCCCCC=C	C112458
PUBCHEM_9	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_9	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_9	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_9	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_9	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_9	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_9	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_9	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_9	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_9	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_9	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_9	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_9	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_9	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_9	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_9	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_9	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_9	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_9	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_9	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_9	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_9	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_9	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_9	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_9	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_9	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_9	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_9	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_9	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_9	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_9	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_9	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_9	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_9	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_9	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_9	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_9	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_9	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_9	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_9	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_9	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_9	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_9	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_9	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_9	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_9	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_9	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_9	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_9	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_9	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_9	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_9	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_9	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_9	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_9	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_9	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_9	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_9	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_9	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_9	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_9	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_9	Cl[Hg]c1ccccc1	C100561
PUBCHEM_9	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_9	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_9	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_9	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_9	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_9	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_9	O=[As]c1ccccc1	C637036
PUBCHEM_9	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_9	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_9	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_9	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_9	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_9	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_9	IC(=C(I)I)I	C513928
PUBCHEM_9	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_9	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_9	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_9	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_9	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_9	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_9	O=CN1CCCCC1	C2591868
PUBCHEM_9	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_9	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_9	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_9	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_9	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_9	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_9	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_9	BrCCCCCCCCCCCC	C143157
PUBCHEM_9	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_9	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_9	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_9	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_9	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_9	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_9	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_9	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_9	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_9	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_9	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_9	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_9	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_9	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_9	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_9	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_9	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_9	O=C(OCCCCO)C=C	C2478106
PUBCHEM_9	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_9	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_9	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_9	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_9	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_9	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_9	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_9	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_9	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_9	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_9	NCCCOCCCCCCCC	C15930662
PUBCHEM_9	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_9	Nc1cccc(C)n1	C1824813
PUBCHEM_9	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_9	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_9	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_9	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_9	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_9	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_9	CC1COc2ccccc2N1	C32329207
PUBCHEM_9	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_9	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_9	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_9	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_9	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_9	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_9	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_9	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_9	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_9	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_9	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_9	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_9	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_9	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_9	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_9	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_9	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_9	SC1CCCC1	C1679078
PUBCHEM_9	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_9	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_9	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_9	S=C=NCCCSC	C505793
PUBCHEM_9	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_9	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_9	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_9	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_9	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_9	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_9	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_9	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_9	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_9	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_9	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_9	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_9	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_9	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_9	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_9	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_9	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_9	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_9	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_9	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_9	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_9	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_9	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_9	CCCCCc1ccco1	C3777693
PUBCHEM_9	CCC(=O)C(=O)CC	C4437518
PUBCHEM_9	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_9	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_10	CC(=O)N	C60355
PUBCHEM_10	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_10	C=CC#N	C107131
PUBCHEM_10	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_10	C=CCO	C107186
PUBCHEM_10	C=CCN=C=S	C57067
PUBCHEM_10	c1(nc[nH]n1)N	C61825
PUBCHEM_10	Nc1ccccc1.Cl	C142041
PUBCHEM_10	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_10	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_10	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_10	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_10	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_10	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_10	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_10	CC(=O)OCc1ccccc1	C140114
PUBCHEM_10	CC(CNCC(C)O)O	C110974
PUBCHEM_10	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_10	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_10	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_10	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_10	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_10	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_10	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_10	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_10	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_10	O=CCCl	C107200
PUBCHEM_10	ClCOC	C107302
PUBCHEM_10	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_10	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_10	NC(=N)NC#N	C461585
PUBCHEM_10	O=C1CCCCC1	C108941
PUBCHEM_10	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_10	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_10	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_10	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_10	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_10	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_10	BrCCBr	C106934
PUBCHEM_10	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_10	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_10	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_10	S=C(NCC)NCC	C105555
PUBCHEM_10	CN(C)C(=O)C	C127195
PUBCHEM_10	CN(CCO)C	C108010
PUBCHEM_10	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_10	CN(C)N	C57147
PUBCHEM_10	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_10	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_10	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_10	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_10	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_10	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_10	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_10	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_10	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_10	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_10	OC(CO)CCl	C96242
PUBCHEM_10	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_10	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_10	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_10	c1cccc2[nH]ccc12	C120729
PUBCHEM_10	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_10	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_10	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_10	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_10	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_10	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_10	COc1ccc(cc1)O	C150765
PUBCHEM_10	NC(=O)OC	C598550
PUBCHEM_10	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_10	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_10	C=Cc1ccc(cc1)C	C622979
PUBCHEM_10	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_10	NC(=O)c1cccnc1	C98920
PUBCHEM_10	OC(=O)c1cccnc1	C59676
PUBCHEM_10	O=[N+](CC)[O-]	C79243
PUBCHEM_10	CN(C(=O)N)N=O	C684935
PUBCHEM_10	CN(N=O)C	C62759
PUBCHEM_10	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_10	O=NN1CCCC1	C930552
PUBCHEM_10	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_10	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_10	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_10	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_10	Nc1ccc(cc1)N	C106503
PUBCHEM_10	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_10	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_10	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_10	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_10	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_10	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_10	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_10	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_10	NC(=S)N	C62566
PUBCHEM_10	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_10	Nc1ccccc1C.Cl	C636215
PUBCHEM_10	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_10	ClCC(Cl)CCl	C96184
PUBCHEM_10	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_10	O=P(OC)(OC)OC	C512561
PUBCHEM_10	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_10	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_10	O=CCc1ccccc1	C122781
PUBCHEM_10	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_10	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_10	OCCOCCOCCOCCCC	C143226
PUBCHEM_10	CCCCCCCCCC=O	C112312
PUBCHEM_10	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_10	O=CCCCCCC	C111717
PUBCHEM_10	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_10	CCCCCCCCC=O	C124196
PUBCHEM_10	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_10	OC(=O)CCCC	C109524
PUBCHEM_10	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_10	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_10	CS(=O)C	C67685
PUBCHEM_10	OCCC	C71238
PUBCHEM_10	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_10	OC(C)CN	C78966
PUBCHEM_10	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_10	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_10	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_10	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_10	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_10	O=Cc1ccccc1O	C90028
PUBCHEM_10	Oc1cccc2ccccc12	C90153
PUBCHEM_10	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_10	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_10	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_10	ON=C1CCCCC1	C100641
PUBCHEM_10	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_10	OCCN1CCNCC1	C103764
PUBCHEM_10	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_10	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_10	Oc1ccc(Cl)cc1	C106489
PUBCHEM_10	CC(O)CC(C)(C)O	C107415
PUBCHEM_10	CCCC(=O)C	C107879
PUBCHEM_10	C1CCCCC1O	C108930
PUBCHEM_10	N#CCC#N	C109773
PUBCHEM_10	CCCCCC(=O)C	C110430
PUBCHEM_10	C(O)C#CCO	C110656
PUBCHEM_10	CCNCCO	C110736
PUBCHEM_10	CCCCCCO	C111273
PUBCHEM_10	CCCCCCCO	C111706
PUBCHEM_10	CCCCCCCCCC(=O)C	C112129
PUBCHEM_10	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_10	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_10	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_10	Oc1ccc(CC)cc1	C123079
PUBCHEM_10	CCCCCC(=O)OCC	C123660
PUBCHEM_10	CCCCCCCCCCCCN	C124221
PUBCHEM_10	NCCN1CCNCC1	C140318
PUBCHEM_10	CCCCCCCCCO	C143088
PUBCHEM_10	COc1ccc(OC)cc1	C150787
PUBCHEM_10	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_10	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_10	O=C(OC(C)(C)C)C	C540885
PUBCHEM_10	Oc1ccc(CCC)cc1	C645567
PUBCHEM_10	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_10	C=CC(Cl)CCl	C760236
PUBCHEM_10	C=CC(=O)OCCO	C818611
PUBCHEM_10	CC/C=C\CCO	C928961
PUBCHEM_10	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_10	CCCCCCCCCCN	C2016571
PUBCHEM_10	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_10	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_10	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_10	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_10	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_10	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_10	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_10	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_10	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_10	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_10	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_10	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_10	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_10	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_10	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_10	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_10	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_10	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_10	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_10	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_10	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_10	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_10	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_10	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_10	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_10	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_10	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_10	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_10	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_10	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_10	c1(c(CC)cccc1)O	C90006
PUBCHEM_10	c1c(O)cccc1CC	C620177
PUBCHEM_10	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_10	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_10	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_10	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_10	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_10	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_10	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_10	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_10	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_10	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_10	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_10	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_10	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_10	c1cccc(OC)c1O	C90051
PUBCHEM_10	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_10	C(=O)(O)C(C)O	C50215
PUBCHEM_10	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_10	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_10	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_10	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_10	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_10	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_10	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_10	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_10	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_10	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_10	NC(CO)(CO)CO	C77861
PUBCHEM_10	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_10	C[Si](=O)C	C9016006
PUBCHEM_10	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_10	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_10	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_10	Cl/C=C/Cl	C156605
PUBCHEM_10	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_10	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_10	CNC	C124403
PUBCHEM_10	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_10	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_10	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_10	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_10	CC(=C)C#N	C126987
PUBCHEM_10	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_10	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_10	Cc1cc(O)ccc1	C108394
PUBCHEM_10	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_10	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_10	CC(O)COC	C107982
PUBCHEM_10	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_10	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_10	O=C(N)N=NC(=O)N	C123773
PUBCHEM_10	c1ccc2ncsc2c1	C95169
PUBCHEM_10	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_10	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_10	ON=CCCC	C110690
PUBCHEM_10	OCCCCO	C110634
PUBCHEM_10	O=C(OCCCC)C=C	C141322
PUBCHEM_10	C(C)(C)(C)N	C75649
PUBCHEM_10	C(OCCCC)C1CO1	C2426086
PUBCHEM_10	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_10	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_10	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_10	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_10	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_10	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_10	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_10	C(CCN)CCCN	C124094
PUBCHEM_10	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_10	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_10	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_10	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_10	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_10	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_10	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_10	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_10	N(CCN)CCN	C111400
PUBCHEM_10	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_10	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_10	N(CCCN)(C)C	C109557
PUBCHEM_10	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_10	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_10	OCNC(=O)NCO	C140954
PUBCHEM_10	Cc1c(C)cccc1O	C526750
PUBCHEM_10	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_10	C=Cc1ccccc1C=C	C1321740
PUBCHEM_10	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_10	C(CCCCCC)CCCCCS	C112550
PUBCHEM_10	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_10	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_10	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_10	C(CC)(C=O)CCCC	C123057
PUBCHEM_10	OCC(C(O)CCC)CC	C94962
PUBCHEM_10	CCC(=CCCC)C=O	C645625
PUBCHEM_10	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_10	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_10	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_10	c1c(CO)occ1	C98000
PUBCHEM_10	O=CCCCC=O	C111308
PUBCHEM_10	C(=O)(O)CO	C79141
PUBCHEM_10	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_10	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_10	C(C)(C)(O)C#N	C75865
PUBCHEM_10	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_10	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_10	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_10	O(C(C)C)C(=O)C	C108214
PUBCHEM_10	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_10	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_10	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_10	N#CC(CCC#N)C	C4553622
PUBCHEM_10	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_10	C1COCCN1	C110918
PUBCHEM_10	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_10	C(CCCCCCC)C	C111842
PUBCHEM_10	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_10	C(=O)(O)C(=O)O	C144627
PUBCHEM_10	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_10	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_10	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_10	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_10	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_10	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_10	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_10	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_10	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_10	c12ccccc1CCCC2	C119642
PUBCHEM_10	O=C(O)CS	C68111
PUBCHEM_10	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_10	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_10	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_10	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_10	N(C)(C)C	C75503
PUBCHEM_10	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_10	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_10	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_10	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_10	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_10	Cc1cccc(C)c1	C108383
PUBCHEM_10	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_10	OCCc1ccccc1	C60128
PUBCHEM_10	O=C(O)c1ccccc1O	C69727
PUBCHEM_10	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_10	N#CC(C)C	C78820
PUBCHEM_10	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_10	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_10	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_10	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_10	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_10	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_10	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_10	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_10	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_10	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_10	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_10	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_10	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_10	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_10	O=C1OCC(C)O1	C108327
PUBCHEM_10	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_10	Sc1ccccc1	C108985
PUBCHEM_10	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_10	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_10	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_10	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_10	N1CCCCCC1	C111499
PUBCHEM_10	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_10	O=C(C)OCCOCCCC	C112072
PUBCHEM_10	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_10	OCCOCCOCCOC	C112356
PUBCHEM_10	OCCOCCOCCOCCO	C112607
PUBCHEM_10	OCC(CO)(CO)CO	C115775
PUBCHEM_10	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_10	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_10	OC(CCCCCC)C	C123966
PUBCHEM_10	OCC(N)(C)C	C124685
PUBCHEM_10	OCC(C)(C)CO	C126307
PUBCHEM_10	Oc1ccc2ccccc2c1	C135193
PUBCHEM_10	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_10	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_10	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_10	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_10	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_10	Brc1ccc(F)cc1	C460004
PUBCHEM_10	C1=CC=CC1	C542927
PUBCHEM_10	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_10	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_10	O=C1NCCC1	C616455
PUBCHEM_10	O=COC(C)C	C625558
PUBCHEM_10	ClP(c1ccccc1)Cl	C644973
PUBCHEM_10	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_10	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_10	OC(C)COc1ccccc1	C770354
PUBCHEM_10	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_10	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_10	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_10	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_10	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_10	Nc1cccc(C)c1C	C1300738
PUBCHEM_10	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_10	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_10	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_10	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_10	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_10	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_10	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_10	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_10	NNC(=S)NN	C2231574
PUBCHEM_10	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_10	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_10	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_10	OCCOCCC	C2807309
PUBCHEM_10	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_10	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_10	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_10	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_10	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_10	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_10	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_10	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_10	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_10	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_10	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_10	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_10	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_10	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_10	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_10	Nc1c(C)cccc1CC	C24549062
PUBCHEM_10	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_10	Clc1cccc(C)c1	C25168052
PUBCHEM_10	CC(CO)O	C25322694
PUBCHEM_10	SC(C)(C)CCCCCC	C25360105
PUBCHEM_10	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_10	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_10	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_10	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_10	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_10	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_10	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_10	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_10	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_10	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_10	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_10	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_10	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_10	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_10	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_10	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_10	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_10	OCC1OCCC1	C97994
PUBCHEM_10	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_10	CN1CCOCC1	C109024
PUBCHEM_10	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_10	O=C1CCCC1	C120923
PUBCHEM_10	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_10	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_10	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_10	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_10	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_10	O=C(C=C(C)C)C	C141797
PUBCHEM_10	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_10	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_10	OC(C)COCCC	C1569013
PUBCHEM_10	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_10	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_10	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_10	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_10	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_10	OCC(CCC)CCCCC	C10042598
PUBCHEM_10	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_10	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_10	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_10	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_10	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_10	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_10	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_10	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_10	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_10	n1c[nH]cc1	C288324
PUBCHEM_10	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_10	N#C[S-].[NH4+]	C1762954
PUBCHEM_10	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_10	OC(OCCCC)CC	C29387868
PUBCHEM_10	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_10	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_10	ClC(Cl)(C)C	C594207
PUBCHEM_10	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_10	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_10	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_10	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_10	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_10	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_10	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_10	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_10	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_10	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_10	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_10	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_10	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_10	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_10	OCn1nc(C)cc1C	C85264331
PUBCHEM_10	OCCSCCCCCCCC	C3547339
PUBCHEM_10	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_10	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_10	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_10	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_10	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_10	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_10	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_10	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_10	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_10	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_10	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_10	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_10	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_10	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_10	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_10	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_10	OC1CCCC1	C96413
PUBCHEM_10	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_10	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_10	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_10	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_10	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_10	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_10	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_10	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_10	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_10	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_10	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_10	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_10	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_10	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_10	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_10	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_10	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_10	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_10	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_10	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_10	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_10	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_10	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_10	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_10	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_10	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_10	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_10	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_10	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_10	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_10	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_10	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_10	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_10	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_10	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_10	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_10	OC(CCCCC)C=C	C3391864
PUBCHEM_10	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_10	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_10	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_10	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_10	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_10	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_10	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_10	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_10	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_10	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_10	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_10	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_10	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_10	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_10	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_10	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_10	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_10	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_10	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_10	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_10	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_10	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_10	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_10	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_10	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_10	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_10	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_10	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_10	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_10	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_10	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_10	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_10	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_10	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_10	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_10	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_10	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_10	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_10	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_10	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_10	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_10	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_10	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_10	O=C(CC)OCC	C105373
PUBCHEM_10	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_10	O=C(c1ccccc1O)C	C118934
PUBCHEM_10	O=C1OCC(CC)O1	C4437858
PUBCHEM_10	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_10	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_10	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_10	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_10	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_10	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_10	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_10	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_10	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_10	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_10	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_10	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_10	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_10	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_10	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_10	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_10	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_10	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_10	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_10	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_10	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_10	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_10	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_10	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_10	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_10	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_10	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_10	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_10	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_10	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_10	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_10	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_10	CC(O)COCC	C1569024
PUBCHEM_10	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_10	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_10	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_10	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_10	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_10	Oc1ccccc1CN(C)C	C120650
PUBCHEM_10	O=C1CCC(O1)CC	C695067
PUBCHEM_10	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_10	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_10	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_10	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_10	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_10	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_10	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_10	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_10	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_10	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_10	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_10	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_10	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_10	O=C/C=C/CCC	C6728263
PUBCHEM_10	O1C=CCCC1	C110872
PUBCHEM_10	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_10	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_10	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_10	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_10	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_10	OCC=Cc1ccccc1	C104541
PUBCHEM_10	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_10	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_10	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_10	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_10	NCCCN1CCOCC1	C123002
PUBCHEM_10	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_10	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_10	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_10	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_10	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_10	O=C(CCC)OCCCCC	C540181
PUBCHEM_10	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_10	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_10	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_10	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_10	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_10	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_10	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_10	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_10	N#Cc1c(O)cccc1	C611201
PUBCHEM_10	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_10	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_10	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_10	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_10	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_10	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_10	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_10	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_10	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_10	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_10	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_10	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_10	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_10	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_10	OP(OCC)OCC	C762049
PUBCHEM_10	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_10	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_10	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_10	OCCOCC(CC)CCCC	C1559359
PUBCHEM_10	O=C(CC)CCCCC	C106683
PUBCHEM_10	OCCN(CC)CCO	C139877
PUBCHEM_10	CCOC(OCC)OCC	C122510
PUBCHEM_10	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_10	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_10	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_10	O=C(CF)O	C144490
PUBCHEM_10	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_10	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_10	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_10	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_10	c12ccccc1CC=C2	C95136
PUBCHEM_10	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_10	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_10	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_10	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_10	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_10	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_10	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_10	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_10	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_10	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_10	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_10	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_10	S=C(NC)NC	C534134
PUBCHEM_10	OC(C)C(=O)OCCCC	C138227
PUBCHEM_10	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_10	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_10	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_10	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_10	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_10	Oc1c(OCC)cccc1	C94713
PUBCHEM_10	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_10	COc1ccc(CCC)cc1	C104450
PUBCHEM_10	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_10	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_10	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_10	CO[Si](C)(C)OC	C1112396
PUBCHEM_10	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_10	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_10	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_10	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_10	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_10	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_10	OC(CO)c1ccccc1	C93561
PUBCHEM_10	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_10	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_10	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_10	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_10	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_10	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_10	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_10	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_10	O=C(N)Nc1ccccc1	C64108
PUBCHEM_10	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_10	O=C(C)OCCCCCCCC	C112141
PUBCHEM_10	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_10	NNC(=S)NC	C6610293
PUBCHEM_10	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_10	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_10	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_10	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_10	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_10	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_10	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_10	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_10	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_10	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_10	NCCN.I.I	C5700492
PUBCHEM_10	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_10	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_10	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_10	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_10	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_10	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_10	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_10	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_10	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_10	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_10	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_10	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_10	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_10	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_10	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_10	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_10	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_10	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_10	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_10	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_10	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_10	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_10	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_10	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_10	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_10	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_10	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_10	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_10	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_10	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_10	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_10	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_10	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_10	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_10	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_10	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_10	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_10	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_10	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_10	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_10	OCCOCC(C)OCCO	C9003116
PUBCHEM_10	O=C1OC(CCC)CC1	C105215
PUBCHEM_10	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_10	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_10	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_10	C=O	C50000
PUBCHEM_10	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_10	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_10	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_10	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_10	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_10	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_10	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_10	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_10	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_10	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_10	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_10	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_10	Sc1ccc(C)cc1	C106456
PUBCHEM_10	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_10	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_10	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_10	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_10	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_10	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_10	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_10	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_10	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_10	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_10	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_10	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_10	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_10	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_10	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_10	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_10	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_10	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_10	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_10	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_10	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_10	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_10	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_10	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_10	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_10	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_10	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_10	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_10	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_10	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_10	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_10	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_10	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_10	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_10	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_10	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_10	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_10	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_10	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_10	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_10	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_10	C[As](=O)(C)O	C75605
PUBCHEM_10	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_10	S=C1NCCN1	C96457
PUBCHEM_10	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_10	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_10	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_10	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_10	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_10	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_10	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_10	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_10	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_10	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_10	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_10	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_10	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_10	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_10	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_10	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_10	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_10	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_10	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_10	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_10	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_10	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_10	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_10	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_10	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_10	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_10	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_10	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_10	c1ccccc1OCCO	C122996
PUBCHEM_10	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_10	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_10	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_10	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_10	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_10	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_10	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_10	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_10	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_10	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_10	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_10	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_10	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_10	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_10	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_10	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_10	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_10	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_10	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_10	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_10	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_10	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_10	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_10	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_10	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_10	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_10	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_10	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_10	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_10	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_10	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_10	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_10	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_10	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_10	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_10	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_10	ClCCP(=O)(O)O	C16672870
PUBCHEM_10	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_10	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_10	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_10	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_10	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_10	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_10	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_10	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_10	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_10	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_10	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_10	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_10	NP(=O)(OC)SC	C10265926
PUBCHEM_10	OCCOC	C109864
PUBCHEM_10	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_10	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_10	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_10	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_10	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_10	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_10	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_10	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_10	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_10	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_10	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_10	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_10	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_10	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_10	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_10	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_10	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_10	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_10	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_10	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_10	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_10	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_10	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_10	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_10	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_10	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_10	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_10	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_10	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_10	CN1CN(C)CSC1=S	C533744
PUBCHEM_10	C(SC#N)SC#N	C6317186
PUBCHEM_10	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_10	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_10	S=C=NC	C556616
PUBCHEM_10	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_10	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_10	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_10	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_10	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_10	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_10	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_10	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_10	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_10	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_10	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_10	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_10	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_10	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_10	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_10	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_10	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_10	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_10	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_10	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_10	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_10	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_10	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_10	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_10	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_10	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_10	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_10	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_10	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_10	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_10	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_10	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_10	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_10	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_10	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_10	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_10	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_10	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_10	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_10	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_10	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_10	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_10	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_10	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_10	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_10	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_10	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_10	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_10	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_10	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_10	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_10	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_10	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_10	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_10	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_10	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_10	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_10	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_10	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_10	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_10	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_10	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_10	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_10	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_10	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_10	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_10	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_10	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_10	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_10	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_10	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_10	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_10	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_10	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_10	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_10	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_10	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_10	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_10	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_10	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_10	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_10	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_10	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_10	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_10	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_10	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_10	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_10	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_10	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_10	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_10	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_10	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_10	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_10	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_10	N#CN	C420042
PUBCHEM_10	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_10	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_10	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_10	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_10	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_10	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_10	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_10	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_10	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_10	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_10	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_10	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_10	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_10	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_10	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_10	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_10	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_10	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_10	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_10	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_10	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_10	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_10	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_10	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_10	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_10	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_10	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_10	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_10	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_10	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_10	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_10	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_10	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_10	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_10	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_10	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_10	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_10	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_10	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_10	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_10	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_10	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_10	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_10	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_10	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_10	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_10	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_10	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_10	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_10	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_10	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_10	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_10	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_10	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_10	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_10	NC(=O)C=C	C79061
PUBCHEM_10	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_10	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_10	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_10	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_10	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_10	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_10	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_10	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_10	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_10	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_10	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_10	c1coc2c1cccc2	C271896
PUBCHEM_10	OC(=O)c1ccccc1	C65850
PUBCHEM_10	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_10	OCc1ccccc1	C100516
PUBCHEM_10	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_10	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_10	ClCCOCCCl	C111444
PUBCHEM_10	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_10	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_10	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_10	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_10	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_10	O=C1CCCO1	C96480
PUBCHEM_10	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_10	O=C1CCCCCN1	C105602
PUBCHEM_10	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_10	Oc1c(cccc1)O	C120809
PUBCHEM_10	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_10	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_10	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_10	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_10	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_10	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_10	O=C(c1ccccc1)CCl	C532274
PUBCHEM_10	Nc1ccc(cc1)Cl	C106478
PUBCHEM_10	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_10	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_10	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_10	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_10	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_10	Nc1cc(ccc1OC)C	C120718
PUBCHEM_10	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_10	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_10	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_10	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_10	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_10	OC(=O)C(Cl)Cl	C79436
PUBCHEM_10	Clc1c(cccc1)Cl	C95501
PUBCHEM_10	Clc1ccc(cc1)Cl	C106467
PUBCHEM_10	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_10	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_10	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_10	OCCOCCO	C111466
PUBCHEM_10	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_10	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_10	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_10	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_10	CN(c1ccccc1)C	C121697
PUBCHEM_10	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_10	O=C(N(C)C)Cl	C79447
PUBCHEM_10	CN(C=O)C	C68122
PUBCHEM_10	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_10	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_10	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_10	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_10	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_10	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_10	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_10	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_10	C(CO)O	C107211
PUBCHEM_10	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_10	CCC(CCCC)CO	C104767
PUBCHEM_10	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_10	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_10	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_10	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_10	O=Cc1ccco1	C98011
PUBCHEM_10	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_10	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_10	OCC(O)CO	C56815
PUBCHEM_10	OCC1CO1	C556525
PUBCHEM_10	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_10	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_10	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_10	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_10	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_10	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_10	Oc1ccc(cc1)O	C123319
PUBCHEM_10	Oc1cccc2cccnc12	C148243
PUBCHEM_10	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_10	O=C(c1ccncc1)NN	C54853
PUBCHEM_10	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_10	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_10	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_10	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_10	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_10	CS(=O)(=O)OC	C66273
PUBCHEM_10	O=C1N(CCC1)C	C872504
PUBCHEM_10	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_10	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_10	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_10	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_10	Cc1cc2cccnc2cc1	C91623
PUBCHEM_10	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_10	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_10	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_10	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_10	c1c2c(ccc1)cccc2	C91203
PUBCHEM_10	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_10	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_10	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_10	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_10	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_10	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_10	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_10	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_10	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_10	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_10	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_10	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_10	O=NN(CCCC)CCCC	C924163
PUBCHEM_10	CCN(CC)N=O	C55185
PUBCHEM_10	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_10	O=NN(CCC)CCC	C621647
PUBCHEM_10	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_10	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_10	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_10	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_10	Oc1ccccc1	C108952
PUBCHEM_10	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_10	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_10	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_10	Nc1cc(ccc1)N	C108452
PUBCHEM_10	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_10	C1CNCCN1	C110850
PUBCHEM_10	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_10	O=S1(=O)CCCO1	C1120714
PUBCHEM_10	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_10	CC(CO)O	C57556
PUBCHEM_10	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_10	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_10	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_10	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_10	Oc1cc(ccc1)O	C108463
PUBCHEM_10	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_10	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_10	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_10	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_10	OC(=O)C=CC=CC	C110441
PUBCHEM_10	C1C(c2ccccc2)O1	C96093
PUBCHEM_10	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_10	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_10	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_10	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_10	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_10	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_10	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_10	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_10	OCCN(CCO)CCO	C102716
PUBCHEM_10	OCCOCCOCCO	C112276
PUBCHEM_10	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_10	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_10	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_10	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_10	C(=O)(N)N	C57136
PUBCHEM_10	NC(=O)OCC	C51796
PUBCHEM_10	O=C1N(C=C)CCC1	C88120
PUBCHEM_10	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_10	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_10	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_10	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_10	OC(=O)CCC	C107926
PUBCHEM_10	CCCCOCCOCCO	C112345
PUBCHEM_10	Oc1ccccc1Cl	C95578
PUBCHEM_10	CCCCCCCCCC(=O)O	C334485
PUBCHEM_10	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_10	O=C(O)CCCCCC	C111148
PUBCHEM_10	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_10	CCCCCC(=O)O	C142621
PUBCHEM_10	CCCCCCCCC(=O)O	C112050
PUBCHEM_10	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_10	CCCCCCCC=O	C124130
PUBCHEM_10	CCCCCCCC(=O)O	C124072
PUBCHEM_10	CCCCC=O	C110623
PUBCHEM_10	CCCCCCCCCCC	C1120214
PUBCHEM_10	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_10	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_10	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_10	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_10	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_10	n1cccc2c1cccc2	C91225
PUBCHEM_10	CCN(CC)c1ccccc1	C91667
PUBCHEM_10	Oc1c(C)cccc1	C95487
PUBCHEM_10	CCC(=NO)C	C96297
PUBCHEM_10	c1ccccc1C(=O)C	C98862
PUBCHEM_10	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_10	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_10	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_10	CCN(CCO)CC	C100378
PUBCHEM_10	CCNc1cc(C)ccc1	C102272
PUBCHEM_10	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_10	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_10	Oc1ccc(C)cc1	C106445
PUBCHEM_10	Nc1ccc(C)cc1	C106490
PUBCHEM_10	ClCCO	C107073
PUBCHEM_10	CC(=O)OCCOCC	C111159
PUBCHEM_10	OCCNCCO	C111422
PUBCHEM_10	N#CCCCCC#N	C111693
PUBCHEM_10	CCCCCCCCO	C111875
PUBCHEM_10	CCOCCOCCO	C111900
PUBCHEM_10	CCCCCCCCCCO	C112301
PUBCHEM_10	CCCCCCCCCCCCCO	C112709
PUBCHEM_10	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_10	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_10	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_10	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_10	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_10	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_10	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_10	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_10	OCCN	C141435
PUBCHEM_10	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_10	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_10	Clc1cc(Cl)ccc1	C541731
PUBCHEM_10	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_10	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_10	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_10	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_10	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_10	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_10	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_10	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_10	c1(CCCC)ccccc1	C104518
PUBCHEM_10	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_10	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_10	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_10	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_10	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_10	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_10	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_10	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_10	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_10	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_10	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_10	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_10	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_10	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_10	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_10	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_10	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_10	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_10	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_10	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_10	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_10	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_10	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_10	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_10	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_10	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_10	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_10	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_10	Nc1c(OC)cccc1	C90040
PUBCHEM_10	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_10	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_10	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_10	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_10	Cc1ccccc1Cl	C95498
PUBCHEM_10	NC1CCCCC1	C108918
PUBCHEM_10	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_10	O=S(=O)(OCC)OCC	C64675
PUBCHEM_10	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_10	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_10	O=S(=O)(OC)OC	C77781
PUBCHEM_10	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_10	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_10	Oc1c(cccc1C)C	C576261
PUBCHEM_10	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_10	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_10	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_10	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_10	CCOCCO	C110805
PUBCHEM_10	CCCCOCCO	C111762
PUBCHEM_10	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_10	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_10	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_10	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_10	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_10	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_10	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_10	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_10	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_10	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_10	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_10	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_10	OCCOCCOCCOCC	C112505
PUBCHEM_10	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_10	ON=CC(C)(C)SC	C1646759
PUBCHEM_10	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_10	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_10	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_10	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_10	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_10	O(CCOC)CCOC	C111966
PUBCHEM_10	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_10	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_10	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_10	Cc1ccc(Cl)cc1	C106434
PUBCHEM_10	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_10	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_10	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_10	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_10	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_10	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_10	C(CCCCCCCC)C	C124185
PUBCHEM_10	Nc1cc(C)ccc1N	C496720
PUBCHEM_10	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_10	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_10	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_10	OC(CCl)CCl	C96231
PUBCHEM_10	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_10	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_10	O(CCOC)CCO	C111773
PUBCHEM_10	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_10	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_10	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_10	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_10	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_10	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_10	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_10	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_10	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_10	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_10	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_10	N(c1ccccc1)CC	C103695
PUBCHEM_10	O=C(O)C(CCCC)CC	C149575
PUBCHEM_10	C(=O)(N)NO	C127071
PUBCHEM_10	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_10	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_10	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_10	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_10	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_10	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_10	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_10	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_10	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_10	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_10	Nc1c(N)cccc1	C95545
PUBCHEM_10	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_10	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_10	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_10	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_10	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_10	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_10	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_10	Nc1c(cccc1)C	C95534
PUBCHEM_10	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_10	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_10	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_10	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_10	C(OCCOC)COCCOC	C112492
PUBCHEM_10	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_10	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_10	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_10	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_10	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_10	Nc1c(cccc1C)C	C87627
PUBCHEM_10	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_10	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_10	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_10	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_10	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_10	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_10	N#Cc1cnccc1	C100549
PUBCHEM_10	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_10	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_10	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_10	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_10	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_10	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_10	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_10	OCCC(O)C	C107880
PUBCHEM_10	OC(CC(C)C)C	C108112
PUBCHEM_10	Nc1cccc(C)c1	C108441
PUBCHEM_10	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_10	O=C(OC)CCCCCCC	C111115
PUBCHEM_10	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_10	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_10	OCCOCCCCCC	C112254
PUBCHEM_10	OCCCCCCCCCCC	C112425
PUBCHEM_10	OCCCCCCCCCCCC	C112538
PUBCHEM_10	OCCCCCCCCCCCCCC	C112721
PUBCHEM_10	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_10	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_10	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_10	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_10	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_10	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_10	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_10	[nH]1ncnc1	C288880
PUBCHEM_10	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_10	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_10	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_10	Nc1c(CC)cccc1CC	C579668
PUBCHEM_10	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_10	O=C(C)OCCCCC	C628637
PUBCHEM_10	CCCCCCCCCCCCCCC	C629629
PUBCHEM_10	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_10	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_10	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_10	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_10	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_10	Nc1cccc(C)c1N	C2687254
PUBCHEM_10	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_10	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_10	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_10	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_10	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_10	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_10	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_10	OC(OC(O)CC)CC	C25265718
PUBCHEM_10	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_10	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_10	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_10	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_10	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_10	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_10	OC(OCCCOC)CC	C34590948
PUBCHEM_10	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_10	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_10	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_10	O=C(OC)CC(=O)OC	C108598
PUBCHEM_10	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_10	CCC12N(COC1)COC2	C7747355
PUBCHEM_10	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_10	O=C(N)C(=C)C	C79390
PUBCHEM_10	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_10	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_10	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_10	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_10	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_10	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_10	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_10	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_10	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_10	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_10	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_10	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_10	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_10	O=Cc1ccccc1C=O	C643798
PUBCHEM_10	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_10	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_10	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_10	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_10	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_10	Nn1cnnc1	C584134
PUBCHEM_10	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_10	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_10	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_10	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_10	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_10	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_10	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_10	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_10	CCCCCCCCN(C)C	C7378996
PUBCHEM_10	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_10	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_10	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_10	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_10	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_10	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_10	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_10	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_10	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_10	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_10	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_10	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_10	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_10	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_10	O=C(CCC)OCC	C105544
PUBCHEM_10	O=C(OCC)CCCCCC	C106309
PUBCHEM_10	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_10	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_10	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_10	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_10	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_10	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_10	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_10	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_10	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_10	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_10	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_10	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_10	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_10	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_10	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_10	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_10	CCCc1ccccc1	C103651
PUBCHEM_10	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_10	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_10	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_10	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_10	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_10	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_10	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_10	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_10	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_10	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_10	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_10	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_10	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_10	CC(C)(C)c1ccccc1	C98066
PUBCHEM_10	O=C(C)NC	C79163
PUBCHEM_10	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_10	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_10	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_10	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_10	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_10	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_10	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_10	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_10	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_10	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_10	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_10	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_10	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_10	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_10	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_10	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_10	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_10	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_10	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_10	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_10	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_10	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_10	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_10	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_10	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_10	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_10	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_10	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_10	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_10	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_10	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_10	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_10	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_10	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_10	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_10	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_10	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_10	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_10	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_10	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_10	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_10	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_10	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_10	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_10	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_10	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_10	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_10	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_10	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_10	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_10	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_10	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_10	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_10	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_10	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_10	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_10	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_10	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_10	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_10	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_10	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_10	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_10	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_10	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_10	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_10	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_10	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_10	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_10	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_10	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_10	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_10	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_10	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_10	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_10	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_10	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_10	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_10	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_10	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_10	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_10	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_10	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_10	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_10	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_10	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_10	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_10	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_10	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_10	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_10	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_10	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_10	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_10	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_10	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_10	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_10	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_10	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_10	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_10	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_10	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_10	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_10	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_10	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_10	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_10	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_10	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_10	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_10	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_10	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_10	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_10	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_10	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_10	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_10	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_10	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_10	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_10	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_10	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_10	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_10	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_10	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_10	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_10	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_10	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_10	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_10	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_10	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_10	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_10	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_10	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_10	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_10	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_10	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_10	C(=O)N	C75127
PUBCHEM_10	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_10	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_10	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_10	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_10	N#CC(Br)Br	C3252435
PUBCHEM_10	OCCCBr	C627189
PUBCHEM_10	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_10	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_10	C(=O)(C)O	C64197
PUBCHEM_10	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_10	C(CO)C(C)C	C123513
PUBCHEM_10	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_10	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_10	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_10	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_10	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_10	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_10	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_10	NCCOCCOCCN	C929599
PUBCHEM_10	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_10	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_10	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_10	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_10	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_10	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_10	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_10	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_10	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_10	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_10	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_10	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_10	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_10	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_10	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_10	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_10	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_10	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_10	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_10	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_10	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_10	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_10	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_10	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_10	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_10	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_10	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_10	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_10	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_10	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_10	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_10	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_10	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_10	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_10	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_10	OCCC(OC)C	C2517433
PUBCHEM_10	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_10	S=C(NCCCC)NCCCC	C109466
PUBCHEM_10	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_10	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_10	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_10	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_10	O=COCC	C109944
PUBCHEM_10	O=C(OCC)c1ccccc1	C93890
PUBCHEM_10	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_10	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_10	NCc1cccc(CN)c1	C1477550
PUBCHEM_10	O=CCCSC	C3268493
PUBCHEM_10	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_10	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_10	N(CCN(C)C)(C)C	C110189
PUBCHEM_10	CCN(CC)CC	C121448
PUBCHEM_10	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_10	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_10	CC(=O)OCC	C141786
PUBCHEM_10	CC(=O)OCCCC	C123864
PUBCHEM_10	CC(=O)CCC(C)C	C110123
PUBCHEM_10	n1cc(C)ccc1	C108996
PUBCHEM_10	CC(=O)CC(C)C	C108101
PUBCHEM_10	NCCN	C107153
PUBCHEM_10	CC(C)C=O	C78842
PUBCHEM_10	CCCCCC=O	C66251
PUBCHEM_10	CCCC=O	C123728
PUBCHEM_10	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_10	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_10	CCC1CO1	C106887
PUBCHEM_10	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_10	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_10	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_10	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_10	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_10	CC1CC(=O)O1	C3068880
PUBCHEM_10	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_10	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_10	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_10	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_10	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_10	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_10	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_10	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_10	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_10	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_10	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_10	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_10	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_10	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_10	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_10	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_10	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_10	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_10	NNc1ccccc1.Cl	C59881
PUBCHEM_10	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_10	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_10	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_10	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_10	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_10	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_10	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_10	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_10	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_10	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_10	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_10	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_10	N#Cc1ccccc1	C100470
PUBCHEM_10	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_10	O=C(CCl)CCl	C534076
PUBCHEM_10	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_10	CC(=O)C(=O)O	C127173
PUBCHEM_10	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_10	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_10	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_10	Nc1ccc(Br)cc1	C106401
PUBCHEM_10	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_10	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_10	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_10	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_10	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_10	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_10	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_10	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_10	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_10	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_10	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_10	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_10	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_10	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_10	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_10	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_10	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_10	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_10	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_10	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_10	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_10	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_10	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_10	Nc1ccc(OC)cc1	C104949
PUBCHEM_10	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_10	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_10	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_10	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_10	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_10	O=CC=CC=CCCCCC	C25152845
PUBCHEM_10	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_10	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_10	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_10	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_10	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_10	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_10	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_10	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_10	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_10	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_10	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_10	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_10	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_10	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_10	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_10	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_10	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_10	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_10	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_10	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_10	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_10	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_10	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_10	OCC=C(C)C	C556821
PUBCHEM_10	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_10	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_10	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_10	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_10	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_10	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_10	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_10	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_10	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_10	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_10	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_10	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_10	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_10	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_10	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_10	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_10	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_10	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_10	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_10	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_10	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_10	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_10	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_10	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_10	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_10	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_10	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_10	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_10	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_10	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_10	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_10	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_10	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_10	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_10	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_10	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_10	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_10	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_10	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_10	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_10	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_10	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_10	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_10	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_10	O=CCCCCCCCCC=C	C112458
PUBCHEM_10	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_10	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_10	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_10	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_10	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_10	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_10	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_10	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_10	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_10	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_10	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_10	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_10	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_10	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_10	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_10	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_10	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_10	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_10	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_10	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_10	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_10	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_10	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_10	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_10	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_10	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_10	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_10	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_10	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_10	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_10	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_10	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_10	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_10	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_10	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_10	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_10	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_10	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_10	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_10	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_10	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_10	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_10	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_10	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_10	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_10	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_10	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_10	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_10	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_10	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_10	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_10	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_10	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_10	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_10	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_10	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_10	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_10	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_10	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_10	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_10	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_10	Cl[Hg]c1ccccc1	C100561
PUBCHEM_10	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_10	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_10	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_10	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_10	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_10	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_10	O=[As]c1ccccc1	C637036
PUBCHEM_10	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_10	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_10	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_10	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_10	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_10	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_10	IC(=C(I)I)I	C513928
PUBCHEM_10	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_10	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_10	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_10	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_10	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_10	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_10	O=CN1CCCCC1	C2591868
PUBCHEM_10	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_10	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_10	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_10	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_10	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_10	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_10	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_10	BrCCCCCCCCCCCC	C143157
PUBCHEM_10	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_10	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_10	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_10	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_10	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_10	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_10	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_10	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_10	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_10	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_10	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_10	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_10	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_10	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_10	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_10	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_10	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_10	O=C(OCCCCO)C=C	C2478106
PUBCHEM_10	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_10	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_10	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_10	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_10	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_10	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_10	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_10	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_10	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_10	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_10	NCCCOCCCCCCCC	C15930662
PUBCHEM_10	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_10	Nc1cccc(C)n1	C1824813
PUBCHEM_10	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_10	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_10	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_10	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_10	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_10	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_10	CC1COc2ccccc2N1	C32329207
PUBCHEM_10	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_10	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_10	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_10	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_10	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_10	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_10	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_10	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_10	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_10	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_10	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_10	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_10	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_10	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_10	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_10	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_10	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_10	SC1CCCC1	C1679078
PUBCHEM_10	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_10	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_10	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_10	S=C=NCCCSC	C505793
PUBCHEM_10	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_10	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_10	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_10	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_10	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_10	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_10	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_10	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_10	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_10	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_10	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_10	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_10	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_10	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_10	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_10	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_10	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_10	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_10	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_10	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_10	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_10	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_10	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_10	CCCCCc1ccco1	C3777693
PUBCHEM_10	CCC(=O)C(=O)CC	C4437518
PUBCHEM_10	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_10	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_11	CC(=O)N	C60355
PUBCHEM_11	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_11	C=CC#N	C107131
PUBCHEM_11	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_11	C=CCO	C107186
PUBCHEM_11	C=CCN=C=S	C57067
PUBCHEM_11	c1(nc[nH]n1)N	C61825
PUBCHEM_11	Nc1ccccc1.Cl	C142041
PUBCHEM_11	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_11	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_11	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_11	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_11	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_11	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_11	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_11	CC(=O)OCc1ccccc1	C140114
PUBCHEM_11	CC(CNCC(C)O)O	C110974
PUBCHEM_11	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_11	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_11	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_11	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_11	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_11	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_11	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_11	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_11	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_11	O=CCCl	C107200
PUBCHEM_11	ClCOC	C107302
PUBCHEM_11	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_11	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_11	NC(=N)NC#N	C461585
PUBCHEM_11	O=C1CCCCC1	C108941
PUBCHEM_11	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_11	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_11	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_11	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_11	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_11	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_11	BrCCBr	C106934
PUBCHEM_11	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_11	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_11	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_11	S=C(NCC)NCC	C105555
PUBCHEM_11	CN(C)C(=O)C	C127195
PUBCHEM_11	CN(CCO)C	C108010
PUBCHEM_11	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_11	CN(C)N	C57147
PUBCHEM_11	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_11	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_11	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_11	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_11	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_11	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_11	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_11	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_11	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_11	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_11	OC(CO)CCl	C96242
PUBCHEM_11	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_11	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_11	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_11	c1cccc2[nH]ccc12	C120729
PUBCHEM_11	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_11	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_11	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_11	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_11	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_11	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_11	COc1ccc(cc1)O	C150765
PUBCHEM_11	NC(=O)OC	C598550
PUBCHEM_11	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_11	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_11	C=Cc1ccc(cc1)C	C622979
PUBCHEM_11	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_11	NC(=O)c1cccnc1	C98920
PUBCHEM_11	OC(=O)c1cccnc1	C59676
PUBCHEM_11	O=[N+](CC)[O-]	C79243
PUBCHEM_11	CN(C(=O)N)N=O	C684935
PUBCHEM_11	CN(N=O)C	C62759
PUBCHEM_11	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_11	O=NN1CCCC1	C930552
PUBCHEM_11	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_11	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_11	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_11	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_11	Nc1ccc(cc1)N	C106503
PUBCHEM_11	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_11	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_11	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_11	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_11	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_11	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_11	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_11	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_11	NC(=S)N	C62566
PUBCHEM_11	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_11	Nc1ccccc1C.Cl	C636215
PUBCHEM_11	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_11	ClCC(Cl)CCl	C96184
PUBCHEM_11	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_11	O=P(OC)(OC)OC	C512561
PUBCHEM_11	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_11	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_11	O=CCc1ccccc1	C122781
PUBCHEM_11	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_11	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_11	OCCOCCOCCOCCCC	C143226
PUBCHEM_11	CCCCCCCCCC=O	C112312
PUBCHEM_11	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_11	O=CCCCCCC	C111717
PUBCHEM_11	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_11	CCCCCCCCC=O	C124196
PUBCHEM_11	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_11	OC(=O)CCCC	C109524
PUBCHEM_11	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_11	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_11	CS(=O)C	C67685
PUBCHEM_11	OCCC	C71238
PUBCHEM_11	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_11	OC(C)CN	C78966
PUBCHEM_11	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_11	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_11	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_11	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_11	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_11	O=Cc1ccccc1O	C90028
PUBCHEM_11	Oc1cccc2ccccc12	C90153
PUBCHEM_11	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_11	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_11	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_11	ON=C1CCCCC1	C100641
PUBCHEM_11	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_11	OCCN1CCNCC1	C103764
PUBCHEM_11	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_11	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_11	Oc1ccc(Cl)cc1	C106489
PUBCHEM_11	CC(O)CC(C)(C)O	C107415
PUBCHEM_11	CCCC(=O)C	C107879
PUBCHEM_11	C1CCCCC1O	C108930
PUBCHEM_11	N#CCC#N	C109773
PUBCHEM_11	CCCCCC(=O)C	C110430
PUBCHEM_11	C(O)C#CCO	C110656
PUBCHEM_11	CCNCCO	C110736
PUBCHEM_11	CCCCCCO	C111273
PUBCHEM_11	CCCCCCCO	C111706
PUBCHEM_11	CCCCCCCCCC(=O)C	C112129
PUBCHEM_11	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_11	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_11	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_11	Oc1ccc(CC)cc1	C123079
PUBCHEM_11	CCCCCC(=O)OCC	C123660
PUBCHEM_11	CCCCCCCCCCCCN	C124221
PUBCHEM_11	NCCN1CCNCC1	C140318
PUBCHEM_11	CCCCCCCCCO	C143088
PUBCHEM_11	COc1ccc(OC)cc1	C150787
PUBCHEM_11	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_11	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_11	O=C(OC(C)(C)C)C	C540885
PUBCHEM_11	Oc1ccc(CCC)cc1	C645567
PUBCHEM_11	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_11	C=CC(Cl)CCl	C760236
PUBCHEM_11	C=CC(=O)OCCO	C818611
PUBCHEM_11	CC/C=C\CCO	C928961
PUBCHEM_11	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_11	CCCCCCCCCCN	C2016571
PUBCHEM_11	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_11	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_11	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_11	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_11	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_11	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_11	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_11	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_11	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_11	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_11	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_11	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_11	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_11	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_11	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_11	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_11	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_11	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_11	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_11	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_11	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_11	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_11	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_11	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_11	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_11	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_11	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_11	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_11	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_11	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_11	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_11	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_11	c1(c(CC)cccc1)O	C90006
PUBCHEM_11	c1c(O)cccc1CC	C620177
PUBCHEM_11	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_11	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_11	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_11	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_11	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_11	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_11	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_11	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_11	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_11	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_11	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_11	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_11	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_11	c1cccc(OC)c1O	C90051
PUBCHEM_11	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_11	C(=O)(O)C(C)O	C50215
PUBCHEM_11	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_11	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_11	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_11	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_11	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_11	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_11	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_11	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_11	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_11	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_11	NC(CO)(CO)CO	C77861
PUBCHEM_11	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_11	C[Si](=O)C	C9016006
PUBCHEM_11	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_11	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_11	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_11	Cl/C=C/Cl	C156605
PUBCHEM_11	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_11	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_11	CNC	C124403
PUBCHEM_11	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_11	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_11	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_11	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_11	CC(=C)C#N	C126987
PUBCHEM_11	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_11	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_11	Cc1cc(O)ccc1	C108394
PUBCHEM_11	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_11	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_11	CC(O)COC	C107982
PUBCHEM_11	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_11	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_11	O=C(N)N=NC(=O)N	C123773
PUBCHEM_11	c1ccc2ncsc2c1	C95169
PUBCHEM_11	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_11	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_11	ON=CCCC	C110690
PUBCHEM_11	OCCCCO	C110634
PUBCHEM_11	O=C(OCCCC)C=C	C141322
PUBCHEM_11	C(C)(C)(C)N	C75649
PUBCHEM_11	C(OCCCC)C1CO1	C2426086
PUBCHEM_11	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_11	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_11	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_11	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_11	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_11	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_11	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_11	C(CCN)CCCN	C124094
PUBCHEM_11	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_11	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_11	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_11	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_11	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_11	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_11	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_11	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_11	N(CCN)CCN	C111400
PUBCHEM_11	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_11	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_11	N(CCCN)(C)C	C109557
PUBCHEM_11	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_11	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_11	OCNC(=O)NCO	C140954
PUBCHEM_11	Cc1c(C)cccc1O	C526750
PUBCHEM_11	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_11	C=Cc1ccccc1C=C	C1321740
PUBCHEM_11	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_11	C(CCCCCC)CCCCCS	C112550
PUBCHEM_11	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_11	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_11	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_11	C(CC)(C=O)CCCC	C123057
PUBCHEM_11	OCC(C(O)CCC)CC	C94962
PUBCHEM_11	CCC(=CCCC)C=O	C645625
PUBCHEM_11	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_11	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_11	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_11	c1c(CO)occ1	C98000
PUBCHEM_11	O=CCCCC=O	C111308
PUBCHEM_11	C(=O)(O)CO	C79141
PUBCHEM_11	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_11	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_11	C(C)(C)(O)C#N	C75865
PUBCHEM_11	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_11	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_11	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_11	O(C(C)C)C(=O)C	C108214
PUBCHEM_11	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_11	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_11	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_11	N#CC(CCC#N)C	C4553622
PUBCHEM_11	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_11	C1COCCN1	C110918
PUBCHEM_11	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_11	C(CCCCCCC)C	C111842
PUBCHEM_11	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_11	C(=O)(O)C(=O)O	C144627
PUBCHEM_11	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_11	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_11	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_11	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_11	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_11	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_11	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_11	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_11	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_11	c12ccccc1CCCC2	C119642
PUBCHEM_11	O=C(O)CS	C68111
PUBCHEM_11	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_11	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_11	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_11	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_11	N(C)(C)C	C75503
PUBCHEM_11	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_11	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_11	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_11	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_11	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_11	Cc1cccc(C)c1	C108383
PUBCHEM_11	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_11	OCCc1ccccc1	C60128
PUBCHEM_11	O=C(O)c1ccccc1O	C69727
PUBCHEM_11	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_11	N#CC(C)C	C78820
PUBCHEM_11	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_11	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_11	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_11	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_11	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_11	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_11	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_11	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_11	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_11	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_11	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_11	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_11	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_11	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_11	O=C1OCC(C)O1	C108327
PUBCHEM_11	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_11	Sc1ccccc1	C108985
PUBCHEM_11	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_11	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_11	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_11	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_11	N1CCCCCC1	C111499
PUBCHEM_11	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_11	O=C(C)OCCOCCCC	C112072
PUBCHEM_11	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_11	OCCOCCOCCOC	C112356
PUBCHEM_11	OCCOCCOCCOCCO	C112607
PUBCHEM_11	OCC(CO)(CO)CO	C115775
PUBCHEM_11	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_11	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_11	OC(CCCCCC)C	C123966
PUBCHEM_11	OCC(N)(C)C	C124685
PUBCHEM_11	OCC(C)(C)CO	C126307
PUBCHEM_11	Oc1ccc2ccccc2c1	C135193
PUBCHEM_11	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_11	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_11	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_11	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_11	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_11	Brc1ccc(F)cc1	C460004
PUBCHEM_11	C1=CC=CC1	C542927
PUBCHEM_11	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_11	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_11	O=C1NCCC1	C616455
PUBCHEM_11	O=COC(C)C	C625558
PUBCHEM_11	ClP(c1ccccc1)Cl	C644973
PUBCHEM_11	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_11	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_11	OC(C)COc1ccccc1	C770354
PUBCHEM_11	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_11	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_11	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_11	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_11	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_11	Nc1cccc(C)c1C	C1300738
PUBCHEM_11	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_11	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_11	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_11	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_11	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_11	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_11	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_11	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_11	NNC(=S)NN	C2231574
PUBCHEM_11	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_11	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_11	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_11	OCCOCCC	C2807309
PUBCHEM_11	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_11	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_11	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_11	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_11	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_11	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_11	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_11	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_11	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_11	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_11	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_11	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_11	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_11	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_11	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_11	Nc1c(C)cccc1CC	C24549062
PUBCHEM_11	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_11	Clc1cccc(C)c1	C25168052
PUBCHEM_11	CC(CO)O	C25322694
PUBCHEM_11	SC(C)(C)CCCCCC	C25360105
PUBCHEM_11	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_11	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_11	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_11	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_11	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_11	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_11	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_11	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_11	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_11	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_11	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_11	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_11	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_11	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_11	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_11	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_11	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_11	OCC1OCCC1	C97994
PUBCHEM_11	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_11	CN1CCOCC1	C109024
PUBCHEM_11	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_11	O=C1CCCC1	C120923
PUBCHEM_11	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_11	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_11	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_11	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_11	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_11	O=C(C=C(C)C)C	C141797
PUBCHEM_11	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_11	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_11	OC(C)COCCC	C1569013
PUBCHEM_11	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_11	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_11	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_11	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_11	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_11	OCC(CCC)CCCCC	C10042598
PUBCHEM_11	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_11	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_11	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_11	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_11	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_11	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_11	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_11	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_11	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_11	n1c[nH]cc1	C288324
PUBCHEM_11	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_11	N#C[S-].[NH4+]	C1762954
PUBCHEM_11	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_11	OC(OCCCC)CC	C29387868
PUBCHEM_11	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_11	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_11	ClC(Cl)(C)C	C594207
PUBCHEM_11	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_11	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_11	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_11	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_11	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_11	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_11	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_11	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_11	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_11	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_11	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_11	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_11	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_11	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_11	OCn1nc(C)cc1C	C85264331
PUBCHEM_11	OCCSCCCCCCCC	C3547339
PUBCHEM_11	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_11	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_11	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_11	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_11	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_11	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_11	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_11	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_11	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_11	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_11	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_11	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_11	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_11	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_11	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_11	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_11	OC1CCCC1	C96413
PUBCHEM_11	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_11	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_11	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_11	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_11	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_11	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_11	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_11	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_11	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_11	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_11	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_11	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_11	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_11	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_11	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_11	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_11	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_11	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_11	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_11	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_11	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_11	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_11	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_11	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_11	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_11	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_11	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_11	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_11	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_11	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_11	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_11	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_11	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_11	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_11	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_11	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_11	OC(CCCCC)C=C	C3391864
PUBCHEM_11	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_11	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_11	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_11	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_11	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_11	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_11	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_11	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_11	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_11	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_11	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_11	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_11	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_11	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_11	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_11	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_11	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_11	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_11	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_11	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_11	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_11	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_11	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_11	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_11	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_11	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_11	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_11	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_11	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_11	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_11	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_11	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_11	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_11	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_11	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_11	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_11	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_11	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_11	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_11	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_11	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_11	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_11	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_11	O=C(CC)OCC	C105373
PUBCHEM_11	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_11	O=C(c1ccccc1O)C	C118934
PUBCHEM_11	O=C1OCC(CC)O1	C4437858
PUBCHEM_11	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_11	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_11	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_11	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_11	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_11	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_11	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_11	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_11	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_11	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_11	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_11	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_11	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_11	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_11	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_11	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_11	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_11	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_11	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_11	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_11	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_11	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_11	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_11	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_11	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_11	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_11	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_11	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_11	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_11	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_11	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_11	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_11	CC(O)COCC	C1569024
PUBCHEM_11	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_11	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_11	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_11	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_11	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_11	Oc1ccccc1CN(C)C	C120650
PUBCHEM_11	O=C1CCC(O1)CC	C695067
PUBCHEM_11	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_11	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_11	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_11	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_11	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_11	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_11	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_11	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_11	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_11	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_11	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_11	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_11	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_11	O=C/C=C/CCC	C6728263
PUBCHEM_11	O1C=CCCC1	C110872
PUBCHEM_11	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_11	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_11	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_11	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_11	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_11	OCC=Cc1ccccc1	C104541
PUBCHEM_11	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_11	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_11	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_11	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_11	NCCCN1CCOCC1	C123002
PUBCHEM_11	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_11	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_11	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_11	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_11	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_11	O=C(CCC)OCCCCC	C540181
PUBCHEM_11	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_11	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_11	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_11	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_11	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_11	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_11	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_11	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_11	N#Cc1c(O)cccc1	C611201
PUBCHEM_11	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_11	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_11	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_11	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_11	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_11	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_11	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_11	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_11	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_11	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_11	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_11	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_11	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_11	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_11	OP(OCC)OCC	C762049
PUBCHEM_11	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_11	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_11	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_11	OCCOCC(CC)CCCC	C1559359
PUBCHEM_11	O=C(CC)CCCCC	C106683
PUBCHEM_11	OCCN(CC)CCO	C139877
PUBCHEM_11	CCOC(OCC)OCC	C122510
PUBCHEM_11	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_11	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_11	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_11	O=C(CF)O	C144490
PUBCHEM_11	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_11	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_11	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_11	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_11	c12ccccc1CC=C2	C95136
PUBCHEM_11	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_11	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_11	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_11	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_11	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_11	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_11	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_11	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_11	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_11	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_11	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_11	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_11	S=C(NC)NC	C534134
PUBCHEM_11	OC(C)C(=O)OCCCC	C138227
PUBCHEM_11	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_11	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_11	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_11	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_11	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_11	Oc1c(OCC)cccc1	C94713
PUBCHEM_11	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_11	COc1ccc(CCC)cc1	C104450
PUBCHEM_11	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_11	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_11	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_11	CO[Si](C)(C)OC	C1112396
PUBCHEM_11	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_11	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_11	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_11	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_11	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_11	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_11	OC(CO)c1ccccc1	C93561
PUBCHEM_11	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_11	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_11	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_11	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_11	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_11	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_11	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_11	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_11	O=C(N)Nc1ccccc1	C64108
PUBCHEM_11	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_11	O=C(C)OCCCCCCCC	C112141
PUBCHEM_11	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_11	NNC(=S)NC	C6610293
PUBCHEM_11	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_11	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_11	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_11	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_11	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_11	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_11	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_11	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_11	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_11	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_11	NCCN.I.I	C5700492
PUBCHEM_11	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_11	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_11	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_11	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_11	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_11	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_11	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_11	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_11	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_11	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_11	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_11	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_11	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_11	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_11	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_11	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_11	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_11	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_11	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_11	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_11	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_11	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_11	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_11	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_11	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_11	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_11	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_11	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_11	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_11	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_11	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_11	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_11	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_11	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_11	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_11	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_11	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_11	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_11	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_11	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_11	OCCOCC(C)OCCO	C9003116
PUBCHEM_11	O=C1OC(CCC)CC1	C105215
PUBCHEM_11	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_11	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_11	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_11	C=O	C50000
PUBCHEM_11	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_11	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_11	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_11	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_11	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_11	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_11	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_11	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_11	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_11	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_11	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_11	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_11	Sc1ccc(C)cc1	C106456
PUBCHEM_11	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_11	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_11	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_11	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_11	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_11	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_11	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_11	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_11	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_11	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_11	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_11	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_11	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_11	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_11	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_11	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_11	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_11	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_11	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_11	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_11	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_11	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_11	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_11	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_11	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_11	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_11	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_11	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_11	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_11	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_11	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_11	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_11	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_11	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_11	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_11	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_11	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_11	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_11	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_11	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_11	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_11	C[As](=O)(C)O	C75605
PUBCHEM_11	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_11	S=C1NCCN1	C96457
PUBCHEM_11	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_11	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_11	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_11	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_11	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_11	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_11	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_11	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_11	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_11	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_11	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_11	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_11	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_11	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_11	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_11	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_11	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_11	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_11	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_11	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_11	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_11	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_11	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_11	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_11	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_11	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_11	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_11	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_11	c1ccccc1OCCO	C122996
PUBCHEM_11	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_11	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_11	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_11	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_11	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_11	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_11	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_11	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_11	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_11	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_11	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_11	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_11	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_11	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_11	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_11	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_11	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_11	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_11	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_11	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_11	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_11	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_11	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_11	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_11	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_11	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_11	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_11	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_11	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_11	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_11	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_11	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_11	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_11	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_11	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_11	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_11	ClCCP(=O)(O)O	C16672870
PUBCHEM_11	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_11	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_11	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_11	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_11	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_11	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_11	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_11	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_11	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_11	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_11	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_11	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_11	NP(=O)(OC)SC	C10265926
PUBCHEM_11	OCCOC	C109864
PUBCHEM_11	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_11	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_11	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_11	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_11	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_11	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_11	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_11	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_11	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_11	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_11	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_11	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_11	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_11	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_11	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_11	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_11	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_11	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_11	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_11	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_11	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_11	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_11	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_11	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_11	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_11	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_11	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_11	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_11	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_11	CN1CN(C)CSC1=S	C533744
PUBCHEM_11	C(SC#N)SC#N	C6317186
PUBCHEM_11	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_11	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_11	S=C=NC	C556616
PUBCHEM_11	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_11	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_11	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_11	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_11	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_11	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_11	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_11	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_11	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_11	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_11	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_11	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_11	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_11	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_11	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_11	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_11	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_11	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_11	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_11	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_11	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_11	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_11	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_11	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_11	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_11	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_11	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_11	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_11	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_11	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_11	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_11	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_11	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_11	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_11	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_11	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_11	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_11	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_11	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_11	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_11	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_11	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_11	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_11	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_11	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_11	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_11	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_11	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_11	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_11	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_11	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_11	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_11	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_11	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_11	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_11	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_11	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_11	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_11	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_11	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_11	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_11	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_11	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_11	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_11	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_11	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_11	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_11	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_11	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_11	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_11	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_11	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_11	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_11	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_11	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_11	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_11	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_11	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_11	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_11	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_11	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_11	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_11	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_11	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_11	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_11	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_11	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_11	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_11	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_11	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_11	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_11	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_11	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_11	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_11	N#CN	C420042
PUBCHEM_11	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_11	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_11	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_11	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_11	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_11	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_11	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_11	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_11	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_11	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_11	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_11	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_11	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_11	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_11	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_11	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_11	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_11	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_11	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_11	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_11	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_11	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_11	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_11	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_11	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_11	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_11	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_11	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_11	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_11	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_11	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_11	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_11	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_11	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_11	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_11	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_11	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_11	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_11	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_11	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_11	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_11	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_11	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_11	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_11	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_11	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_11	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_11	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_11	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_11	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_11	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_11	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_11	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_11	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_11	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_11	NC(=O)C=C	C79061
PUBCHEM_11	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_11	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_11	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_11	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_11	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_11	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_11	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_11	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_11	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_11	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_11	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_11	c1coc2c1cccc2	C271896
PUBCHEM_11	OC(=O)c1ccccc1	C65850
PUBCHEM_11	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_11	OCc1ccccc1	C100516
PUBCHEM_11	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_11	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_11	ClCCOCCCl	C111444
PUBCHEM_11	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_11	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_11	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_11	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_11	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_11	O=C1CCCO1	C96480
PUBCHEM_11	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_11	O=C1CCCCCN1	C105602
PUBCHEM_11	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_11	Oc1c(cccc1)O	C120809
PUBCHEM_11	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_11	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_11	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_11	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_11	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_11	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_11	O=C(c1ccccc1)CCl	C532274
PUBCHEM_11	Nc1ccc(cc1)Cl	C106478
PUBCHEM_11	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_11	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_11	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_11	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_11	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_11	Nc1cc(ccc1OC)C	C120718
PUBCHEM_11	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_11	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_11	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_11	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_11	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_11	OC(=O)C(Cl)Cl	C79436
PUBCHEM_11	Clc1c(cccc1)Cl	C95501
PUBCHEM_11	Clc1ccc(cc1)Cl	C106467
PUBCHEM_11	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_11	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_11	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_11	OCCOCCO	C111466
PUBCHEM_11	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_11	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_11	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_11	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_11	CN(c1ccccc1)C	C121697
PUBCHEM_11	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_11	O=C(N(C)C)Cl	C79447
PUBCHEM_11	CN(C=O)C	C68122
PUBCHEM_11	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_11	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_11	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_11	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_11	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_11	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_11	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_11	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_11	C(CO)O	C107211
PUBCHEM_11	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_11	CCC(CCCC)CO	C104767
PUBCHEM_11	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_11	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_11	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_11	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_11	O=Cc1ccco1	C98011
PUBCHEM_11	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_11	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_11	OCC(O)CO	C56815
PUBCHEM_11	OCC1CO1	C556525
PUBCHEM_11	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_11	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_11	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_11	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_11	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_11	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_11	Oc1ccc(cc1)O	C123319
PUBCHEM_11	Oc1cccc2cccnc12	C148243
PUBCHEM_11	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_11	O=C(c1ccncc1)NN	C54853
PUBCHEM_11	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_11	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_11	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_11	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_11	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_11	CS(=O)(=O)OC	C66273
PUBCHEM_11	O=C1N(CCC1)C	C872504
PUBCHEM_11	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_11	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_11	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_11	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_11	Cc1cc2cccnc2cc1	C91623
PUBCHEM_11	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_11	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_11	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_11	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_11	c1c2c(ccc1)cccc2	C91203
PUBCHEM_11	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_11	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_11	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_11	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_11	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_11	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_11	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_11	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_11	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_11	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_11	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_11	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_11	O=NN(CCCC)CCCC	C924163
PUBCHEM_11	CCN(CC)N=O	C55185
PUBCHEM_11	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_11	O=NN(CCC)CCC	C621647
PUBCHEM_11	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_11	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_11	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_11	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_11	Oc1ccccc1	C108952
PUBCHEM_11	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_11	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_11	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_11	Nc1cc(ccc1)N	C108452
PUBCHEM_11	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_11	C1CNCCN1	C110850
PUBCHEM_11	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_11	O=S1(=O)CCCO1	C1120714
PUBCHEM_11	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_11	CC(CO)O	C57556
PUBCHEM_11	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_11	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_11	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_11	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_11	Oc1cc(ccc1)O	C108463
PUBCHEM_11	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_11	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_11	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_11	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_11	OC(=O)C=CC=CC	C110441
PUBCHEM_11	C1C(c2ccccc2)O1	C96093
PUBCHEM_11	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_11	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_11	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_11	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_11	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_11	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_11	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_11	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_11	OCCN(CCO)CCO	C102716
PUBCHEM_11	OCCOCCOCCO	C112276
PUBCHEM_11	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_11	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_11	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_11	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_11	C(=O)(N)N	C57136
PUBCHEM_11	NC(=O)OCC	C51796
PUBCHEM_11	O=C1N(C=C)CCC1	C88120
PUBCHEM_11	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_11	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_11	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_11	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_11	OC(=O)CCC	C107926
PUBCHEM_11	CCCCOCCOCCO	C112345
PUBCHEM_11	Oc1ccccc1Cl	C95578
PUBCHEM_11	CCCCCCCCCC(=O)O	C334485
PUBCHEM_11	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_11	O=C(O)CCCCCC	C111148
PUBCHEM_11	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_11	CCCCCC(=O)O	C142621
PUBCHEM_11	CCCCCCCCC(=O)O	C112050
PUBCHEM_11	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_11	CCCCCCCC=O	C124130
PUBCHEM_11	CCCCCCCC(=O)O	C124072
PUBCHEM_11	CCCCC=O	C110623
PUBCHEM_11	CCCCCCCCCCC	C1120214
PUBCHEM_11	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_11	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_11	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_11	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_11	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_11	n1cccc2c1cccc2	C91225
PUBCHEM_11	CCN(CC)c1ccccc1	C91667
PUBCHEM_11	Oc1c(C)cccc1	C95487
PUBCHEM_11	CCC(=NO)C	C96297
PUBCHEM_11	c1ccccc1C(=O)C	C98862
PUBCHEM_11	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_11	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_11	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_11	CCN(CCO)CC	C100378
PUBCHEM_11	CCNc1cc(C)ccc1	C102272
PUBCHEM_11	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_11	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_11	Oc1ccc(C)cc1	C106445
PUBCHEM_11	Nc1ccc(C)cc1	C106490
PUBCHEM_11	ClCCO	C107073
PUBCHEM_11	CC(=O)OCCOCC	C111159
PUBCHEM_11	OCCNCCO	C111422
PUBCHEM_11	N#CCCCCC#N	C111693
PUBCHEM_11	CCCCCCCCO	C111875
PUBCHEM_11	CCOCCOCCO	C111900
PUBCHEM_11	CCCCCCCCCCO	C112301
PUBCHEM_11	CCCCCCCCCCCCCO	C112709
PUBCHEM_11	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_11	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_11	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_11	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_11	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_11	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_11	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_11	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_11	OCCN	C141435
PUBCHEM_11	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_11	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_11	Clc1cc(Cl)ccc1	C541731
PUBCHEM_11	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_11	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_11	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_11	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_11	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_11	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_11	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_11	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_11	c1(CCCC)ccccc1	C104518
PUBCHEM_11	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_11	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_11	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_11	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_11	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_11	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_11	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_11	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_11	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_11	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_11	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_11	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_11	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_11	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_11	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_11	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_11	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_11	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_11	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_11	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_11	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_11	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_11	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_11	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_11	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_11	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_11	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_11	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_11	Nc1c(OC)cccc1	C90040
PUBCHEM_11	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_11	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_11	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_11	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_11	Cc1ccccc1Cl	C95498
PUBCHEM_11	NC1CCCCC1	C108918
PUBCHEM_11	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_11	O=S(=O)(OCC)OCC	C64675
PUBCHEM_11	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_11	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_11	O=S(=O)(OC)OC	C77781
PUBCHEM_11	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_11	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_11	Oc1c(cccc1C)C	C576261
PUBCHEM_11	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_11	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_11	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_11	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_11	CCOCCO	C110805
PUBCHEM_11	CCCCOCCO	C111762
PUBCHEM_11	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_11	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_11	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_11	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_11	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_11	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_11	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_11	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_11	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_11	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_11	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_11	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_11	OCCOCCOCCOCC	C112505
PUBCHEM_11	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_11	ON=CC(C)(C)SC	C1646759
PUBCHEM_11	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_11	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_11	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_11	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_11	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_11	O(CCOC)CCOC	C111966
PUBCHEM_11	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_11	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_11	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_11	Cc1ccc(Cl)cc1	C106434
PUBCHEM_11	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_11	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_11	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_11	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_11	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_11	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_11	C(CCCCCCCC)C	C124185
PUBCHEM_11	Nc1cc(C)ccc1N	C496720
PUBCHEM_11	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_11	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_11	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_11	OC(CCl)CCl	C96231
PUBCHEM_11	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_11	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_11	O(CCOC)CCO	C111773
PUBCHEM_11	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_11	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_11	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_11	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_11	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_11	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_11	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_11	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_11	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_11	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_11	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_11	N(c1ccccc1)CC	C103695
PUBCHEM_11	O=C(O)C(CCCC)CC	C149575
PUBCHEM_11	C(=O)(N)NO	C127071
PUBCHEM_11	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_11	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_11	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_11	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_11	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_11	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_11	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_11	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_11	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_11	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_11	Nc1c(N)cccc1	C95545
PUBCHEM_11	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_11	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_11	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_11	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_11	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_11	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_11	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_11	Nc1c(cccc1)C	C95534
PUBCHEM_11	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_11	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_11	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_11	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_11	C(OCCOC)COCCOC	C112492
PUBCHEM_11	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_11	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_11	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_11	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_11	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_11	Nc1c(cccc1C)C	C87627
PUBCHEM_11	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_11	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_11	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_11	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_11	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_11	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_11	N#Cc1cnccc1	C100549
PUBCHEM_11	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_11	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_11	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_11	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_11	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_11	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_11	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_11	OCCC(O)C	C107880
PUBCHEM_11	OC(CC(C)C)C	C108112
PUBCHEM_11	Nc1cccc(C)c1	C108441
PUBCHEM_11	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_11	O=C(OC)CCCCCCC	C111115
PUBCHEM_11	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_11	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_11	OCCOCCCCCC	C112254
PUBCHEM_11	OCCCCCCCCCCC	C112425
PUBCHEM_11	OCCCCCCCCCCCC	C112538
PUBCHEM_11	OCCCCCCCCCCCCCC	C112721
PUBCHEM_11	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_11	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_11	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_11	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_11	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_11	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_11	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_11	[nH]1ncnc1	C288880
PUBCHEM_11	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_11	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_11	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_11	Nc1c(CC)cccc1CC	C579668
PUBCHEM_11	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_11	O=C(C)OCCCCC	C628637
PUBCHEM_11	CCCCCCCCCCCCCCC	C629629
PUBCHEM_11	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_11	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_11	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_11	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_11	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_11	Nc1cccc(C)c1N	C2687254
PUBCHEM_11	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_11	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_11	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_11	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_11	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_11	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_11	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_11	OC(OC(O)CC)CC	C25265718
PUBCHEM_11	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_11	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_11	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_11	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_11	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_11	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_11	OC(OCCCOC)CC	C34590948
PUBCHEM_11	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_11	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_11	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_11	O=C(OC)CC(=O)OC	C108598
PUBCHEM_11	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_11	CCC12N(COC1)COC2	C7747355
PUBCHEM_11	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_11	O=C(N)C(=C)C	C79390
PUBCHEM_11	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_11	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_11	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_11	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_11	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_11	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_11	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_11	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_11	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_11	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_11	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_11	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_11	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_11	O=Cc1ccccc1C=O	C643798
PUBCHEM_11	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_11	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_11	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_11	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_11	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_11	Nn1cnnc1	C584134
PUBCHEM_11	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_11	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_11	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_11	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_11	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_11	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_11	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_11	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_11	CCCCCCCCN(C)C	C7378996
PUBCHEM_11	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_11	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_11	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_11	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_11	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_11	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_11	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_11	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_11	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_11	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_11	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_11	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_11	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_11	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_11	O=C(CCC)OCC	C105544
PUBCHEM_11	O=C(OCC)CCCCCC	C106309
PUBCHEM_11	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_11	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_11	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_11	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_11	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_11	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_11	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_11	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_11	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_11	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_11	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_11	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_11	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_11	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_11	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_11	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_11	CCCc1ccccc1	C103651
PUBCHEM_11	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_11	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_11	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_11	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_11	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_11	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_11	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_11	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_11	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_11	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_11	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_11	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_11	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_11	CC(C)(C)c1ccccc1	C98066
PUBCHEM_11	O=C(C)NC	C79163
PUBCHEM_11	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_11	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_11	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_11	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_11	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_11	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_11	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_11	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_11	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_11	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_11	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_11	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_11	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_11	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_11	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_11	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_11	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_11	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_11	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_11	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_11	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_11	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_11	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_11	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_11	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_11	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_11	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_11	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_11	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_11	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_11	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_11	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_11	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_11	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_11	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_11	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_11	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_11	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_11	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_11	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_11	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_11	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_11	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_11	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_11	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_11	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_11	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_11	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_11	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_11	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_11	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_11	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_11	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_11	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_11	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_11	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_11	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_11	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_11	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_11	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_11	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_11	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_11	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_11	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_11	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_11	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_11	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_11	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_11	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_11	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_11	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_11	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_11	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_11	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_11	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_11	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_11	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_11	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_11	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_11	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_11	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_11	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_11	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_11	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_11	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_11	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_11	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_11	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_11	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_11	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_11	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_11	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_11	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_11	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_11	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_11	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_11	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_11	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_11	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_11	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_11	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_11	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_11	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_11	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_11	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_11	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_11	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_11	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_11	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_11	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_11	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_11	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_11	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_11	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_11	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_11	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_11	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_11	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_11	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_11	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_11	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_11	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_11	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_11	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_11	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_11	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_11	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_11	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_11	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_11	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_11	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_11	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_11	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_11	C(=O)N	C75127
PUBCHEM_11	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_11	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_11	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_11	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_11	N#CC(Br)Br	C3252435
PUBCHEM_11	OCCCBr	C627189
PUBCHEM_11	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_11	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_11	C(=O)(C)O	C64197
PUBCHEM_11	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_11	C(CO)C(C)C	C123513
PUBCHEM_11	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_11	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_11	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_11	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_11	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_11	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_11	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_11	NCCOCCOCCN	C929599
PUBCHEM_11	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_11	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_11	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_11	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_11	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_11	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_11	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_11	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_11	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_11	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_11	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_11	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_11	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_11	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_11	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_11	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_11	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_11	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_11	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_11	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_11	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_11	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_11	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_11	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_11	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_11	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_11	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_11	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_11	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_11	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_11	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_11	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_11	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_11	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_11	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_11	OCCC(OC)C	C2517433
PUBCHEM_11	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_11	S=C(NCCCC)NCCCC	C109466
PUBCHEM_11	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_11	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_11	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_11	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_11	O=COCC	C109944
PUBCHEM_11	O=C(OCC)c1ccccc1	C93890
PUBCHEM_11	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_11	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_11	NCc1cccc(CN)c1	C1477550
PUBCHEM_11	O=CCCSC	C3268493
PUBCHEM_11	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_11	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_11	N(CCN(C)C)(C)C	C110189
PUBCHEM_11	CCN(CC)CC	C121448
PUBCHEM_11	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_11	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_11	CC(=O)OCC	C141786
PUBCHEM_11	CC(=O)OCCCC	C123864
PUBCHEM_11	CC(=O)CCC(C)C	C110123
PUBCHEM_11	n1cc(C)ccc1	C108996
PUBCHEM_11	CC(=O)CC(C)C	C108101
PUBCHEM_11	NCCN	C107153
PUBCHEM_11	CC(C)C=O	C78842
PUBCHEM_11	CCCCCC=O	C66251
PUBCHEM_11	CCCC=O	C123728
PUBCHEM_11	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_11	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_11	CCC1CO1	C106887
PUBCHEM_11	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_11	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_11	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_11	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_11	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_11	CC1CC(=O)O1	C3068880
PUBCHEM_11	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_11	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_11	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_11	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_11	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_11	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_11	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_11	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_11	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_11	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_11	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_11	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_11	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_11	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_11	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_11	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_11	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_11	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_11	NNc1ccccc1.Cl	C59881
PUBCHEM_11	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_11	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_11	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_11	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_11	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_11	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_11	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_11	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_11	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_11	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_11	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_11	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_11	N#Cc1ccccc1	C100470
PUBCHEM_11	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_11	O=C(CCl)CCl	C534076
PUBCHEM_11	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_11	CC(=O)C(=O)O	C127173
PUBCHEM_11	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_11	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_11	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_11	Nc1ccc(Br)cc1	C106401
PUBCHEM_11	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_11	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_11	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_11	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_11	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_11	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_11	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_11	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_11	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_11	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_11	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_11	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_11	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_11	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_11	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_11	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_11	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_11	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_11	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_11	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_11	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_11	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_11	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_11	Nc1ccc(OC)cc1	C104949
PUBCHEM_11	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_11	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_11	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_11	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_11	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_11	O=CC=CC=CCCCCC	C25152845
PUBCHEM_11	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_11	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_11	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_11	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_11	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_11	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_11	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_11	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_11	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_11	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_11	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_11	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_11	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_11	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_11	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_11	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_11	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_11	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_11	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_11	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_11	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_11	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_11	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_11	OCC=C(C)C	C556821
PUBCHEM_11	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_11	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_11	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_11	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_11	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_11	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_11	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_11	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_11	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_11	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_11	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_11	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_11	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_11	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_11	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_11	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_11	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_11	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_11	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_11	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_11	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_11	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_11	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_11	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_11	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_11	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_11	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_11	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_11	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_11	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_11	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_11	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_11	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_11	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_11	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_11	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_11	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_11	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_11	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_11	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_11	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_11	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_11	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_11	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_11	O=CCCCCCCCCC=C	C112458
PUBCHEM_11	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_11	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_11	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_11	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_11	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_11	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_11	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_11	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_11	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_11	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_11	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_11	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_11	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_11	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_11	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_11	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_11	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_11	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_11	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_11	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_11	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_11	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_11	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_11	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_11	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_11	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_11	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_11	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_11	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_11	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_11	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_11	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_11	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_11	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_11	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_11	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_11	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_11	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_11	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_11	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_11	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_11	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_11	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_11	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_11	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_11	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_11	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_11	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_11	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_11	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_11	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_11	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_11	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_11	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_11	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_11	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_11	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_11	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_11	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_11	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_11	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_11	Cl[Hg]c1ccccc1	C100561
PUBCHEM_11	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_11	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_11	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_11	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_11	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_11	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_11	O=[As]c1ccccc1	C637036
PUBCHEM_11	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_11	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_11	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_11	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_11	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_11	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_11	IC(=C(I)I)I	C513928
PUBCHEM_11	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_11	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_11	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_11	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_11	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_11	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_11	O=CN1CCCCC1	C2591868
PUBCHEM_11	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_11	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_11	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_11	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_11	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_11	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_11	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_11	BrCCCCCCCCCCCC	C143157
PUBCHEM_11	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_11	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_11	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_11	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_11	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_11	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_11	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_11	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_11	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_11	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_11	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_11	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_11	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_11	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_11	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_11	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_11	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_11	O=C(OCCCCO)C=C	C2478106
PUBCHEM_11	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_11	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_11	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_11	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_11	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_11	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_11	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_11	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_11	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_11	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_11	NCCCOCCCCCCCC	C15930662
PUBCHEM_11	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_11	Nc1cccc(C)n1	C1824813
PUBCHEM_11	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_11	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_11	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_11	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_11	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_11	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_11	CC1COc2ccccc2N1	C32329207
PUBCHEM_11	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_11	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_11	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_11	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_11	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_11	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_11	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_11	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_11	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_11	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_11	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_11	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_11	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_11	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_11	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_11	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_11	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_11	SC1CCCC1	C1679078
PUBCHEM_11	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_11	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_11	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_11	S=C=NCCCSC	C505793
PUBCHEM_11	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_11	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_11	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_11	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_11	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_11	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_11	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_11	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_11	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_11	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_11	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_11	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_11	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_11	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_11	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_11	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_11	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_11	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_11	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_11	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_11	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_11	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_11	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_11	CCCCCc1ccco1	C3777693
PUBCHEM_11	CCC(=O)C(=O)CC	C4437518
PUBCHEM_11	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_11	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_12	CC(=O)N	C60355
PUBCHEM_12	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_12	C=CC#N	C107131
PUBCHEM_12	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_12	C=CCO	C107186
PUBCHEM_12	C=CCN=C=S	C57067
PUBCHEM_12	c1(nc[nH]n1)N	C61825
PUBCHEM_12	Nc1ccccc1.Cl	C142041
PUBCHEM_12	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_12	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_12	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_12	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_12	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_12	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_12	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_12	CC(=O)OCc1ccccc1	C140114
PUBCHEM_12	CC(CNCC(C)O)O	C110974
PUBCHEM_12	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_12	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_12	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_12	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_12	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_12	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_12	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_12	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_12	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_12	O=CCCl	C107200
PUBCHEM_12	ClCOC	C107302
PUBCHEM_12	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_12	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_12	NC(=N)NC#N	C461585
PUBCHEM_12	O=C1CCCCC1	C108941
PUBCHEM_12	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_12	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_12	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_12	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_12	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_12	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_12	BrCCBr	C106934
PUBCHEM_12	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_12	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_12	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_12	S=C(NCC)NCC	C105555
PUBCHEM_12	CN(C)C(=O)C	C127195
PUBCHEM_12	CN(CCO)C	C108010
PUBCHEM_12	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_12	CN(C)N	C57147
PUBCHEM_12	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_12	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_12	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_12	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_12	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_12	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_12	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_12	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_12	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_12	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_12	OC(CO)CCl	C96242
PUBCHEM_12	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_12	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_12	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_12	c1cccc2[nH]ccc12	C120729
PUBCHEM_12	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_12	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_12	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_12	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_12	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_12	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_12	COc1ccc(cc1)O	C150765
PUBCHEM_12	NC(=O)OC	C598550
PUBCHEM_12	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_12	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_12	C=Cc1ccc(cc1)C	C622979
PUBCHEM_12	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_12	NC(=O)c1cccnc1	C98920
PUBCHEM_12	OC(=O)c1cccnc1	C59676
PUBCHEM_12	O=[N+](CC)[O-]	C79243
PUBCHEM_12	CN(C(=O)N)N=O	C684935
PUBCHEM_12	CN(N=O)C	C62759
PUBCHEM_12	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_12	O=NN1CCCC1	C930552
PUBCHEM_12	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_12	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_12	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_12	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_12	Nc1ccc(cc1)N	C106503
PUBCHEM_12	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_12	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_12	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_12	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_12	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_12	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_12	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_12	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_12	NC(=S)N	C62566
PUBCHEM_12	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_12	Nc1ccccc1C.Cl	C636215
PUBCHEM_12	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_12	ClCC(Cl)CCl	C96184
PUBCHEM_12	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_12	O=P(OC)(OC)OC	C512561
PUBCHEM_12	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_12	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_12	O=CCc1ccccc1	C122781
PUBCHEM_12	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_12	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_12	OCCOCCOCCOCCCC	C143226
PUBCHEM_12	CCCCCCCCCC=O	C112312
PUBCHEM_12	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_12	O=CCCCCCC	C111717
PUBCHEM_12	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_12	CCCCCCCCC=O	C124196
PUBCHEM_12	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_12	OC(=O)CCCC	C109524
PUBCHEM_12	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_12	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_12	CS(=O)C	C67685
PUBCHEM_12	OCCC	C71238
PUBCHEM_12	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_12	OC(C)CN	C78966
PUBCHEM_12	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_12	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_12	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_12	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_12	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_12	O=Cc1ccccc1O	C90028
PUBCHEM_12	Oc1cccc2ccccc12	C90153
PUBCHEM_12	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_12	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_12	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_12	ON=C1CCCCC1	C100641
PUBCHEM_12	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_12	OCCN1CCNCC1	C103764
PUBCHEM_12	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_12	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_12	Oc1ccc(Cl)cc1	C106489
PUBCHEM_12	CC(O)CC(C)(C)O	C107415
PUBCHEM_12	CCCC(=O)C	C107879
PUBCHEM_12	C1CCCCC1O	C108930
PUBCHEM_12	N#CCC#N	C109773
PUBCHEM_12	CCCCCC(=O)C	C110430
PUBCHEM_12	C(O)C#CCO	C110656
PUBCHEM_12	CCNCCO	C110736
PUBCHEM_12	CCCCCCO	C111273
PUBCHEM_12	CCCCCCCO	C111706
PUBCHEM_12	CCCCCCCCCC(=O)C	C112129
PUBCHEM_12	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_12	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_12	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_12	Oc1ccc(CC)cc1	C123079
PUBCHEM_12	CCCCCC(=O)OCC	C123660
PUBCHEM_12	CCCCCCCCCCCCN	C124221
PUBCHEM_12	NCCN1CCNCC1	C140318
PUBCHEM_12	CCCCCCCCCO	C143088
PUBCHEM_12	COc1ccc(OC)cc1	C150787
PUBCHEM_12	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_12	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_12	O=C(OC(C)(C)C)C	C540885
PUBCHEM_12	Oc1ccc(CCC)cc1	C645567
PUBCHEM_12	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_12	C=CC(Cl)CCl	C760236
PUBCHEM_12	C=CC(=O)OCCO	C818611
PUBCHEM_12	CC/C=C\CCO	C928961
PUBCHEM_12	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_12	CCCCCCCCCCN	C2016571
PUBCHEM_12	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_12	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_12	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_12	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_12	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_12	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_12	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_12	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_12	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_12	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_12	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_12	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_12	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_12	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_12	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_12	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_12	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_12	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_12	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_12	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_12	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_12	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_12	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_12	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_12	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_12	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_12	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_12	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_12	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_12	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_12	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_12	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_12	c1(c(CC)cccc1)O	C90006
PUBCHEM_12	c1c(O)cccc1CC	C620177
PUBCHEM_12	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_12	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_12	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_12	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_12	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_12	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_12	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_12	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_12	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_12	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_12	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_12	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_12	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_12	c1cccc(OC)c1O	C90051
PUBCHEM_12	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_12	C(=O)(O)C(C)O	C50215
PUBCHEM_12	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_12	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_12	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_12	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_12	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_12	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_12	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_12	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_12	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_12	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_12	NC(CO)(CO)CO	C77861
PUBCHEM_12	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_12	C[Si](=O)C	C9016006
PUBCHEM_12	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_12	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_12	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_12	Cl/C=C/Cl	C156605
PUBCHEM_12	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_12	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_12	CNC	C124403
PUBCHEM_12	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_12	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_12	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_12	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_12	CC(=C)C#N	C126987
PUBCHEM_12	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_12	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_12	Cc1cc(O)ccc1	C108394
PUBCHEM_12	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_12	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_12	CC(O)COC	C107982
PUBCHEM_12	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_12	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_12	O=C(N)N=NC(=O)N	C123773
PUBCHEM_12	c1ccc2ncsc2c1	C95169
PUBCHEM_12	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_12	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_12	ON=CCCC	C110690
PUBCHEM_12	OCCCCO	C110634
PUBCHEM_12	O=C(OCCCC)C=C	C141322
PUBCHEM_12	C(C)(C)(C)N	C75649
PUBCHEM_12	C(OCCCC)C1CO1	C2426086
PUBCHEM_12	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_12	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_12	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_12	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_12	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_12	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_12	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_12	C(CCN)CCCN	C124094
PUBCHEM_12	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_12	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_12	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_12	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_12	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_12	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_12	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_12	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_12	N(CCN)CCN	C111400
PUBCHEM_12	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_12	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_12	N(CCCN)(C)C	C109557
PUBCHEM_12	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_12	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_12	OCNC(=O)NCO	C140954
PUBCHEM_12	Cc1c(C)cccc1O	C526750
PUBCHEM_12	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_12	C=Cc1ccccc1C=C	C1321740
PUBCHEM_12	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_12	C(CCCCCC)CCCCCS	C112550
PUBCHEM_12	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_12	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_12	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_12	C(CC)(C=O)CCCC	C123057
PUBCHEM_12	OCC(C(O)CCC)CC	C94962
PUBCHEM_12	CCC(=CCCC)C=O	C645625
PUBCHEM_12	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_12	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_12	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_12	c1c(CO)occ1	C98000
PUBCHEM_12	O=CCCCC=O	C111308
PUBCHEM_12	C(=O)(O)CO	C79141
PUBCHEM_12	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_12	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_12	C(C)(C)(O)C#N	C75865
PUBCHEM_12	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_12	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_12	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_12	O(C(C)C)C(=O)C	C108214
PUBCHEM_12	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_12	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_12	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_12	N#CC(CCC#N)C	C4553622
PUBCHEM_12	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_12	C1COCCN1	C110918
PUBCHEM_12	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_12	C(CCCCCCC)C	C111842
PUBCHEM_12	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_12	C(=O)(O)C(=O)O	C144627
PUBCHEM_12	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_12	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_12	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_12	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_12	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_12	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_12	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_12	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_12	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_12	c12ccccc1CCCC2	C119642
PUBCHEM_12	O=C(O)CS	C68111
PUBCHEM_12	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_12	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_12	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_12	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_12	N(C)(C)C	C75503
PUBCHEM_12	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_12	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_12	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_12	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_12	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_12	Cc1cccc(C)c1	C108383
PUBCHEM_12	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_12	OCCc1ccccc1	C60128
PUBCHEM_12	O=C(O)c1ccccc1O	C69727
PUBCHEM_12	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_12	N#CC(C)C	C78820
PUBCHEM_12	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_12	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_12	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_12	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_12	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_12	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_12	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_12	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_12	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_12	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_12	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_12	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_12	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_12	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_12	O=C1OCC(C)O1	C108327
PUBCHEM_12	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_12	Sc1ccccc1	C108985
PUBCHEM_12	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_12	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_12	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_12	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_12	N1CCCCCC1	C111499
PUBCHEM_12	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_12	O=C(C)OCCOCCCC	C112072
PUBCHEM_12	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_12	OCCOCCOCCOC	C112356
PUBCHEM_12	OCCOCCOCCOCCO	C112607
PUBCHEM_12	OCC(CO)(CO)CO	C115775
PUBCHEM_12	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_12	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_12	OC(CCCCCC)C	C123966
PUBCHEM_12	OCC(N)(C)C	C124685
PUBCHEM_12	OCC(C)(C)CO	C126307
PUBCHEM_12	Oc1ccc2ccccc2c1	C135193
PUBCHEM_12	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_12	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_12	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_12	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_12	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_12	Brc1ccc(F)cc1	C460004
PUBCHEM_12	C1=CC=CC1	C542927
PUBCHEM_12	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_12	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_12	O=C1NCCC1	C616455
PUBCHEM_12	O=COC(C)C	C625558
PUBCHEM_12	ClP(c1ccccc1)Cl	C644973
PUBCHEM_12	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_12	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_12	OC(C)COc1ccccc1	C770354
PUBCHEM_12	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_12	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_12	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_12	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_12	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_12	Nc1cccc(C)c1C	C1300738
PUBCHEM_12	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_12	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_12	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_12	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_12	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_12	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_12	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_12	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_12	NNC(=S)NN	C2231574
PUBCHEM_12	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_12	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_12	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_12	OCCOCCC	C2807309
PUBCHEM_12	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_12	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_12	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_12	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_12	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_12	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_12	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_12	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_12	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_12	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_12	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_12	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_12	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_12	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_12	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_12	Nc1c(C)cccc1CC	C24549062
PUBCHEM_12	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_12	Clc1cccc(C)c1	C25168052
PUBCHEM_12	CC(CO)O	C25322694
PUBCHEM_12	SC(C)(C)CCCCCC	C25360105
PUBCHEM_12	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_12	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_12	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_12	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_12	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_12	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_12	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_12	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_12	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_12	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_12	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_12	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_12	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_12	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_12	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_12	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_12	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_12	OCC1OCCC1	C97994
PUBCHEM_12	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_12	CN1CCOCC1	C109024
PUBCHEM_12	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_12	O=C1CCCC1	C120923
PUBCHEM_12	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_12	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_12	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_12	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_12	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_12	O=C(C=C(C)C)C	C141797
PUBCHEM_12	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_12	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_12	OC(C)COCCC	C1569013
PUBCHEM_12	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_12	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_12	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_12	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_12	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_12	OCC(CCC)CCCCC	C10042598
PUBCHEM_12	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_12	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_12	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_12	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_12	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_12	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_12	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_12	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_12	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_12	n1c[nH]cc1	C288324
PUBCHEM_12	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_12	N#C[S-].[NH4+]	C1762954
PUBCHEM_12	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_12	OC(OCCCC)CC	C29387868
PUBCHEM_12	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_12	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_12	ClC(Cl)(C)C	C594207
PUBCHEM_12	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_12	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_12	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_12	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_12	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_12	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_12	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_12	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_12	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_12	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_12	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_12	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_12	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_12	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_12	OCn1nc(C)cc1C	C85264331
PUBCHEM_12	OCCSCCCCCCCC	C3547339
PUBCHEM_12	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_12	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_12	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_12	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_12	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_12	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_12	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_12	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_12	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_12	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_12	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_12	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_12	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_12	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_12	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_12	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_12	OC1CCCC1	C96413
PUBCHEM_12	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_12	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_12	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_12	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_12	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_12	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_12	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_12	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_12	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_12	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_12	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_12	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_12	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_12	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_12	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_12	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_12	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_12	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_12	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_12	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_12	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_12	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_12	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_12	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_12	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_12	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_12	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_12	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_12	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_12	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_12	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_12	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_12	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_12	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_12	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_12	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_12	OC(CCCCC)C=C	C3391864
PUBCHEM_12	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_12	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_12	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_12	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_12	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_12	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_12	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_12	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_12	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_12	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_12	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_12	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_12	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_12	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_12	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_12	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_12	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_12	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_12	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_12	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_12	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_12	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_12	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_12	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_12	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_12	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_12	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_12	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_12	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_12	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_12	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_12	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_12	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_12	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_12	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_12	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_12	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_12	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_12	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_12	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_12	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_12	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_12	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_12	O=C(CC)OCC	C105373
PUBCHEM_12	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_12	O=C(c1ccccc1O)C	C118934
PUBCHEM_12	O=C1OCC(CC)O1	C4437858
PUBCHEM_12	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_12	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_12	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_12	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_12	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_12	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_12	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_12	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_12	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_12	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_12	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_12	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_12	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_12	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_12	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_12	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_12	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_12	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_12	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_12	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_12	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_12	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_12	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_12	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_12	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_12	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_12	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_12	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_12	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_12	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_12	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_12	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_12	CC(O)COCC	C1569024
PUBCHEM_12	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_12	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_12	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_12	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_12	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_12	Oc1ccccc1CN(C)C	C120650
PUBCHEM_12	O=C1CCC(O1)CC	C695067
PUBCHEM_12	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_12	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_12	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_12	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_12	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_12	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_12	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_12	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_12	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_12	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_12	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_12	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_12	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_12	O=C/C=C/CCC	C6728263
PUBCHEM_12	O1C=CCCC1	C110872
PUBCHEM_12	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_12	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_12	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_12	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_12	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_12	OCC=Cc1ccccc1	C104541
PUBCHEM_12	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_12	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_12	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_12	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_12	NCCCN1CCOCC1	C123002
PUBCHEM_12	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_12	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_12	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_12	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_12	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_12	O=C(CCC)OCCCCC	C540181
PUBCHEM_12	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_12	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_12	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_12	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_12	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_12	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_12	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_12	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_12	N#Cc1c(O)cccc1	C611201
PUBCHEM_12	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_12	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_12	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_12	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_12	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_12	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_12	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_12	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_12	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_12	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_12	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_12	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_12	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_12	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_12	OP(OCC)OCC	C762049
PUBCHEM_12	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_12	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_12	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_12	OCCOCC(CC)CCCC	C1559359
PUBCHEM_12	O=C(CC)CCCCC	C106683
PUBCHEM_12	OCCN(CC)CCO	C139877
PUBCHEM_12	CCOC(OCC)OCC	C122510
PUBCHEM_12	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_12	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_12	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_12	O=C(CF)O	C144490
PUBCHEM_12	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_12	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_12	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_12	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_12	c12ccccc1CC=C2	C95136
PUBCHEM_12	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_12	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_12	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_12	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_12	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_12	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_12	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_12	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_12	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_12	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_12	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_12	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_12	S=C(NC)NC	C534134
PUBCHEM_12	OC(C)C(=O)OCCCC	C138227
PUBCHEM_12	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_12	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_12	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_12	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_12	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_12	Oc1c(OCC)cccc1	C94713
PUBCHEM_12	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_12	COc1ccc(CCC)cc1	C104450
PUBCHEM_12	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_12	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_12	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_12	CO[Si](C)(C)OC	C1112396
PUBCHEM_12	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_12	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_12	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_12	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_12	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_12	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_12	OC(CO)c1ccccc1	C93561
PUBCHEM_12	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_12	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_12	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_12	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_12	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_12	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_12	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_12	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_12	O=C(N)Nc1ccccc1	C64108
PUBCHEM_12	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_12	O=C(C)OCCCCCCCC	C112141
PUBCHEM_12	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_12	NNC(=S)NC	C6610293
PUBCHEM_12	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_12	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_12	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_12	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_12	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_12	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_12	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_12	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_12	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_12	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_12	NCCN.I.I	C5700492
PUBCHEM_12	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_12	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_12	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_12	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_12	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_12	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_12	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_12	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_12	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_12	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_12	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_12	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_12	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_12	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_12	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_12	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_12	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_12	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_12	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_12	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_12	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_12	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_12	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_12	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_12	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_12	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_12	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_12	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_12	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_12	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_12	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_12	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_12	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_12	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_12	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_12	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_12	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_12	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_12	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_12	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_12	OCCOCC(C)OCCO	C9003116
PUBCHEM_12	O=C1OC(CCC)CC1	C105215
PUBCHEM_12	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_12	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_12	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_12	C=O	C50000
PUBCHEM_12	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_12	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_12	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_12	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_12	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_12	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_12	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_12	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_12	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_12	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_12	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_12	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_12	Sc1ccc(C)cc1	C106456
PUBCHEM_12	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_12	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_12	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_12	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_12	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_12	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_12	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_12	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_12	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_12	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_12	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_12	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_12	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_12	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_12	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_12	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_12	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_12	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_12	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_12	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_12	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_12	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_12	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_12	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_12	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_12	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_12	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_12	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_12	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_12	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_12	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_12	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_12	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_12	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_12	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_12	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_12	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_12	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_12	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_12	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_12	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_12	C[As](=O)(C)O	C75605
PUBCHEM_12	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_12	S=C1NCCN1	C96457
PUBCHEM_12	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_12	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_12	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_12	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_12	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_12	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_12	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_12	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_12	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_12	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_12	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_12	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_12	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_12	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_12	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_12	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_12	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_12	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_12	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_12	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_12	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_12	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_12	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_12	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_12	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_12	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_12	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_12	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_12	c1ccccc1OCCO	C122996
PUBCHEM_12	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_12	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_12	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_12	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_12	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_12	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_12	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_12	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_12	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_12	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_12	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_12	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_12	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_12	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_12	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_12	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_12	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_12	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_12	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_12	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_12	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_12	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_12	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_12	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_12	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_12	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_12	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_12	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_12	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_12	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_12	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_12	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_12	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_12	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_12	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_12	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_12	ClCCP(=O)(O)O	C16672870
PUBCHEM_12	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_12	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_12	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_12	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_12	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_12	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_12	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_12	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_12	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_12	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_12	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_12	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_12	NP(=O)(OC)SC	C10265926
PUBCHEM_12	OCCOC	C109864
PUBCHEM_12	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_12	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_12	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_12	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_12	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_12	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_12	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_12	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_12	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_12	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_12	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_12	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_12	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_12	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_12	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_12	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_12	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_12	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_12	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_12	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_12	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_12	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_12	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_12	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_12	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_12	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_12	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_12	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_12	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_12	CN1CN(C)CSC1=S	C533744
PUBCHEM_12	C(SC#N)SC#N	C6317186
PUBCHEM_12	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_12	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_12	S=C=NC	C556616
PUBCHEM_12	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_12	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_12	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_12	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_12	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_12	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_12	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_12	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_12	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_12	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_12	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_12	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_12	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_12	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_12	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_12	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_12	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_12	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_12	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_12	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_12	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_12	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_12	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_12	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_12	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_12	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_12	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_12	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_12	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_12	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_12	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_12	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_12	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_12	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_12	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_12	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_12	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_12	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_12	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_12	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_12	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_12	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_12	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_12	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_12	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_12	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_12	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_12	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_12	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_12	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_12	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_12	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_12	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_12	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_12	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_12	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_12	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_12	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_12	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_12	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_12	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_12	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_12	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_12	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_12	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_12	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_12	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_12	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_12	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_12	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_12	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_12	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_12	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_12	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_12	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_12	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_12	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_12	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_12	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_12	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_12	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_12	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_12	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_12	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_12	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_12	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_12	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_12	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_12	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_12	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_12	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_12	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_12	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_12	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_12	N#CN	C420042
PUBCHEM_12	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_12	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_12	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_12	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_12	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_12	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_12	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_12	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_12	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_12	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_12	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_12	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_12	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_12	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_12	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_12	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_12	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_12	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_12	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_12	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_12	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_12	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_12	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_12	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_12	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_12	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_12	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_12	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_12	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_12	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_12	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_12	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_12	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_12	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_12	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_12	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_12	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_12	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_12	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_12	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_12	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_12	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_12	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_12	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_12	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_12	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_12	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_12	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_12	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_12	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_12	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_12	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_12	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_12	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_12	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_12	NC(=O)C=C	C79061
PUBCHEM_12	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_12	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_12	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_12	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_12	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_12	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_12	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_12	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_12	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_12	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_12	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_12	c1coc2c1cccc2	C271896
PUBCHEM_12	OC(=O)c1ccccc1	C65850
PUBCHEM_12	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_12	OCc1ccccc1	C100516
PUBCHEM_12	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_12	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_12	ClCCOCCCl	C111444
PUBCHEM_12	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_12	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_12	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_12	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_12	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_12	O=C1CCCO1	C96480
PUBCHEM_12	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_12	O=C1CCCCCN1	C105602
PUBCHEM_12	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_12	Oc1c(cccc1)O	C120809
PUBCHEM_12	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_12	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_12	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_12	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_12	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_12	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_12	O=C(c1ccccc1)CCl	C532274
PUBCHEM_12	Nc1ccc(cc1)Cl	C106478
PUBCHEM_12	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_12	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_12	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_12	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_12	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_12	Nc1cc(ccc1OC)C	C120718
PUBCHEM_12	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_12	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_12	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_12	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_12	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_12	OC(=O)C(Cl)Cl	C79436
PUBCHEM_12	Clc1c(cccc1)Cl	C95501
PUBCHEM_12	Clc1ccc(cc1)Cl	C106467
PUBCHEM_12	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_12	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_12	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_12	OCCOCCO	C111466
PUBCHEM_12	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_12	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_12	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_12	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_12	CN(c1ccccc1)C	C121697
PUBCHEM_12	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_12	O=C(N(C)C)Cl	C79447
PUBCHEM_12	CN(C=O)C	C68122
PUBCHEM_12	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_12	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_12	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_12	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_12	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_12	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_12	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_12	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_12	C(CO)O	C107211
PUBCHEM_12	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_12	CCC(CCCC)CO	C104767
PUBCHEM_12	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_12	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_12	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_12	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_12	O=Cc1ccco1	C98011
PUBCHEM_12	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_12	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_12	OCC(O)CO	C56815
PUBCHEM_12	OCC1CO1	C556525
PUBCHEM_12	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_12	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_12	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_12	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_12	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_12	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_12	Oc1ccc(cc1)O	C123319
PUBCHEM_12	Oc1cccc2cccnc12	C148243
PUBCHEM_12	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_12	O=C(c1ccncc1)NN	C54853
PUBCHEM_12	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_12	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_12	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_12	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_12	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_12	CS(=O)(=O)OC	C66273
PUBCHEM_12	O=C1N(CCC1)C	C872504
PUBCHEM_12	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_12	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_12	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_12	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_12	Cc1cc2cccnc2cc1	C91623
PUBCHEM_12	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_12	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_12	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_12	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_12	c1c2c(ccc1)cccc2	C91203
PUBCHEM_12	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_12	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_12	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_12	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_12	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_12	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_12	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_12	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_12	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_12	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_12	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_12	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_12	O=NN(CCCC)CCCC	C924163
PUBCHEM_12	CCN(CC)N=O	C55185
PUBCHEM_12	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_12	O=NN(CCC)CCC	C621647
PUBCHEM_12	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_12	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_12	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_12	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_12	Oc1ccccc1	C108952
PUBCHEM_12	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_12	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_12	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_12	Nc1cc(ccc1)N	C108452
PUBCHEM_12	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_12	C1CNCCN1	C110850
PUBCHEM_12	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_12	O=S1(=O)CCCO1	C1120714
PUBCHEM_12	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_12	CC(CO)O	C57556
PUBCHEM_12	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_12	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_12	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_12	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_12	Oc1cc(ccc1)O	C108463
PUBCHEM_12	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_12	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_12	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_12	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_12	OC(=O)C=CC=CC	C110441
PUBCHEM_12	C1C(c2ccccc2)O1	C96093
PUBCHEM_12	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_12	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_12	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_12	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_12	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_12	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_12	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_12	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_12	OCCN(CCO)CCO	C102716
PUBCHEM_12	OCCOCCOCCO	C112276
PUBCHEM_12	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_12	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_12	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_12	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_12	C(=O)(N)N	C57136
PUBCHEM_12	NC(=O)OCC	C51796
PUBCHEM_12	O=C1N(C=C)CCC1	C88120
PUBCHEM_12	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_12	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_12	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_12	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_12	OC(=O)CCC	C107926
PUBCHEM_12	CCCCOCCOCCO	C112345
PUBCHEM_12	Oc1ccccc1Cl	C95578
PUBCHEM_12	CCCCCCCCCC(=O)O	C334485
PUBCHEM_12	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_12	O=C(O)CCCCCC	C111148
PUBCHEM_12	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_12	CCCCCC(=O)O	C142621
PUBCHEM_12	CCCCCCCCC(=O)O	C112050
PUBCHEM_12	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_12	CCCCCCCC=O	C124130
PUBCHEM_12	CCCCCCCC(=O)O	C124072
PUBCHEM_12	CCCCC=O	C110623
PUBCHEM_12	CCCCCCCCCCC	C1120214
PUBCHEM_12	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_12	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_12	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_12	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_12	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_12	n1cccc2c1cccc2	C91225
PUBCHEM_12	CCN(CC)c1ccccc1	C91667
PUBCHEM_12	Oc1c(C)cccc1	C95487
PUBCHEM_12	CCC(=NO)C	C96297
PUBCHEM_12	c1ccccc1C(=O)C	C98862
PUBCHEM_12	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_12	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_12	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_12	CCN(CCO)CC	C100378
PUBCHEM_12	CCNc1cc(C)ccc1	C102272
PUBCHEM_12	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_12	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_12	Oc1ccc(C)cc1	C106445
PUBCHEM_12	Nc1ccc(C)cc1	C106490
PUBCHEM_12	ClCCO	C107073
PUBCHEM_12	CC(=O)OCCOCC	C111159
PUBCHEM_12	OCCNCCO	C111422
PUBCHEM_12	N#CCCCCC#N	C111693
PUBCHEM_12	CCCCCCCCO	C111875
PUBCHEM_12	CCOCCOCCO	C111900
PUBCHEM_12	CCCCCCCCCCO	C112301
PUBCHEM_12	CCCCCCCCCCCCCO	C112709
PUBCHEM_12	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_12	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_12	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_12	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_12	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_12	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_12	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_12	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_12	OCCN	C141435
PUBCHEM_12	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_12	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_12	Clc1cc(Cl)ccc1	C541731
PUBCHEM_12	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_12	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_12	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_12	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_12	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_12	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_12	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_12	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_12	c1(CCCC)ccccc1	C104518
PUBCHEM_12	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_12	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_12	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_12	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_12	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_12	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_12	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_12	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_12	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_12	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_12	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_12	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_12	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_12	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_12	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_12	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_12	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_12	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_12	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_12	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_12	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_12	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_12	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_12	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_12	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_12	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_12	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_12	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_12	Nc1c(OC)cccc1	C90040
PUBCHEM_12	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_12	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_12	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_12	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_12	Cc1ccccc1Cl	C95498
PUBCHEM_12	NC1CCCCC1	C108918
PUBCHEM_12	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_12	O=S(=O)(OCC)OCC	C64675
PUBCHEM_12	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_12	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_12	O=S(=O)(OC)OC	C77781
PUBCHEM_12	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_12	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_12	Oc1c(cccc1C)C	C576261
PUBCHEM_12	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_12	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_12	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_12	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_12	CCOCCO	C110805
PUBCHEM_12	CCCCOCCO	C111762
PUBCHEM_12	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_12	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_12	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_12	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_12	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_12	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_12	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_12	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_12	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_12	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_12	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_12	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_12	OCCOCCOCCOCC	C112505
PUBCHEM_12	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_12	ON=CC(C)(C)SC	C1646759
PUBCHEM_12	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_12	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_12	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_12	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_12	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_12	O(CCOC)CCOC	C111966
PUBCHEM_12	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_12	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_12	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_12	Cc1ccc(Cl)cc1	C106434
PUBCHEM_12	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_12	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_12	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_12	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_12	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_12	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_12	C(CCCCCCCC)C	C124185
PUBCHEM_12	Nc1cc(C)ccc1N	C496720
PUBCHEM_12	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_12	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_12	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_12	OC(CCl)CCl	C96231
PUBCHEM_12	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_12	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_12	O(CCOC)CCO	C111773
PUBCHEM_12	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_12	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_12	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_12	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_12	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_12	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_12	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_12	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_12	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_12	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_12	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_12	N(c1ccccc1)CC	C103695
PUBCHEM_12	O=C(O)C(CCCC)CC	C149575
PUBCHEM_12	C(=O)(N)NO	C127071
PUBCHEM_12	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_12	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_12	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_12	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_12	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_12	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_12	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_12	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_12	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_12	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_12	Nc1c(N)cccc1	C95545
PUBCHEM_12	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_12	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_12	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_12	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_12	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_12	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_12	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_12	Nc1c(cccc1)C	C95534
PUBCHEM_12	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_12	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_12	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_12	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_12	C(OCCOC)COCCOC	C112492
PUBCHEM_12	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_12	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_12	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_12	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_12	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_12	Nc1c(cccc1C)C	C87627
PUBCHEM_12	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_12	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_12	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_12	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_12	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_12	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_12	N#Cc1cnccc1	C100549
PUBCHEM_12	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_12	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_12	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_12	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_12	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_12	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_12	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_12	OCCC(O)C	C107880
PUBCHEM_12	OC(CC(C)C)C	C108112
PUBCHEM_12	Nc1cccc(C)c1	C108441
PUBCHEM_12	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_12	O=C(OC)CCCCCCC	C111115
PUBCHEM_12	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_12	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_12	OCCOCCCCCC	C112254
PUBCHEM_12	OCCCCCCCCCCC	C112425
PUBCHEM_12	OCCCCCCCCCCCC	C112538
PUBCHEM_12	OCCCCCCCCCCCCCC	C112721
PUBCHEM_12	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_12	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_12	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_12	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_12	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_12	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_12	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_12	[nH]1ncnc1	C288880
PUBCHEM_12	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_12	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_12	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_12	Nc1c(CC)cccc1CC	C579668
PUBCHEM_12	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_12	O=C(C)OCCCCC	C628637
PUBCHEM_12	CCCCCCCCCCCCCCC	C629629
PUBCHEM_12	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_12	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_12	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_12	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_12	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_12	Nc1cccc(C)c1N	C2687254
PUBCHEM_12	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_12	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_12	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_12	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_12	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_12	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_12	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_12	OC(OC(O)CC)CC	C25265718
PUBCHEM_12	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_12	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_12	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_12	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_12	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_12	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_12	OC(OCCCOC)CC	C34590948
PUBCHEM_12	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_12	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_12	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_12	O=C(OC)CC(=O)OC	C108598
PUBCHEM_12	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_12	CCC12N(COC1)COC2	C7747355
PUBCHEM_12	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_12	O=C(N)C(=C)C	C79390
PUBCHEM_12	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_12	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_12	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_12	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_12	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_12	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_12	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_12	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_12	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_12	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_12	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_12	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_12	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_12	O=Cc1ccccc1C=O	C643798
PUBCHEM_12	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_12	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_12	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_12	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_12	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_12	Nn1cnnc1	C584134
PUBCHEM_12	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_12	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_12	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_12	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_12	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_12	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_12	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_12	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_12	CCCCCCCCN(C)C	C7378996
PUBCHEM_12	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_12	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_12	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_12	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_12	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_12	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_12	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_12	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_12	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_12	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_12	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_12	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_12	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_12	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_12	O=C(CCC)OCC	C105544
PUBCHEM_12	O=C(OCC)CCCCCC	C106309
PUBCHEM_12	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_12	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_12	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_12	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_12	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_12	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_12	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_12	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_12	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_12	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_12	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_12	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_12	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_12	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_12	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_12	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_12	CCCc1ccccc1	C103651
PUBCHEM_12	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_12	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_12	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_12	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_12	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_12	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_12	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_12	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_12	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_12	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_12	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_12	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_12	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_12	CC(C)(C)c1ccccc1	C98066
PUBCHEM_12	O=C(C)NC	C79163
PUBCHEM_12	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_12	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_12	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_12	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_12	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_12	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_12	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_12	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_12	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_12	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_12	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_12	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_12	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_12	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_12	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_12	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_12	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_12	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_12	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_12	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_12	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_12	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_12	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_12	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_12	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_12	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_12	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_12	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_12	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_12	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_12	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_12	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_12	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_12	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_12	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_12	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_12	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_12	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_12	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_12	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_12	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_12	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_12	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_12	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_12	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_12	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_12	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_12	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_12	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_12	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_12	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_12	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_12	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_12	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_12	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_12	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_12	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_12	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_12	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_12	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_12	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_12	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_12	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_12	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_12	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_12	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_12	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_12	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_12	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_12	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_12	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_12	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_12	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_12	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_12	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_12	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_12	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_12	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_12	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_12	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_12	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_12	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_12	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_12	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_12	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_12	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_12	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_12	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_12	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_12	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_12	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_12	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_12	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_12	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_12	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_12	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_12	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_12	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_12	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_12	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_12	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_12	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_12	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_12	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_12	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_12	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_12	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_12	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_12	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_12	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_12	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_12	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_12	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_12	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_12	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_12	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_12	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_12	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_12	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_12	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_12	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_12	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_12	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_12	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_12	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_12	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_12	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_12	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_12	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_12	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_12	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_12	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_12	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_12	C(=O)N	C75127
PUBCHEM_12	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_12	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_12	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_12	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_12	N#CC(Br)Br	C3252435
PUBCHEM_12	OCCCBr	C627189
PUBCHEM_12	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_12	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_12	C(=O)(C)O	C64197
PUBCHEM_12	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_12	C(CO)C(C)C	C123513
PUBCHEM_12	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_12	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_12	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_12	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_12	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_12	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_12	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_12	NCCOCCOCCN	C929599
PUBCHEM_12	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_12	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_12	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_12	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_12	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_12	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_12	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_12	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_12	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_12	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_12	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_12	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_12	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_12	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_12	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_12	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_12	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_12	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_12	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_12	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_12	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_12	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_12	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_12	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_12	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_12	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_12	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_12	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_12	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_12	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_12	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_12	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_12	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_12	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_12	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_12	OCCC(OC)C	C2517433
PUBCHEM_12	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_12	S=C(NCCCC)NCCCC	C109466
PUBCHEM_12	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_12	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_12	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_12	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_12	O=COCC	C109944
PUBCHEM_12	O=C(OCC)c1ccccc1	C93890
PUBCHEM_12	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_12	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_12	NCc1cccc(CN)c1	C1477550
PUBCHEM_12	O=CCCSC	C3268493
PUBCHEM_12	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_12	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_12	N(CCN(C)C)(C)C	C110189
PUBCHEM_12	CCN(CC)CC	C121448
PUBCHEM_12	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_12	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_12	CC(=O)OCC	C141786
PUBCHEM_12	CC(=O)OCCCC	C123864
PUBCHEM_12	CC(=O)CCC(C)C	C110123
PUBCHEM_12	n1cc(C)ccc1	C108996
PUBCHEM_12	CC(=O)CC(C)C	C108101
PUBCHEM_12	NCCN	C107153
PUBCHEM_12	CC(C)C=O	C78842
PUBCHEM_12	CCCCCC=O	C66251
PUBCHEM_12	CCCC=O	C123728
PUBCHEM_12	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_12	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_12	CCC1CO1	C106887
PUBCHEM_12	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_12	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_12	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_12	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_12	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_12	CC1CC(=O)O1	C3068880
PUBCHEM_12	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_12	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_12	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_12	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_12	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_12	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_12	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_12	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_12	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_12	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_12	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_12	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_12	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_12	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_12	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_12	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_12	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_12	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_12	NNc1ccccc1.Cl	C59881
PUBCHEM_12	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_12	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_12	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_12	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_12	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_12	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_12	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_12	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_12	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_12	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_12	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_12	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_12	N#Cc1ccccc1	C100470
PUBCHEM_12	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_12	O=C(CCl)CCl	C534076
PUBCHEM_12	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_12	CC(=O)C(=O)O	C127173
PUBCHEM_12	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_12	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_12	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_12	Nc1ccc(Br)cc1	C106401
PUBCHEM_12	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_12	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_12	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_12	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_12	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_12	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_12	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_12	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_12	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_12	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_12	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_12	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_12	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_12	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_12	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_12	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_12	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_12	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_12	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_12	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_12	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_12	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_12	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_12	Nc1ccc(OC)cc1	C104949
PUBCHEM_12	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_12	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_12	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_12	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_12	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_12	O=CC=CC=CCCCCC	C25152845
PUBCHEM_12	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_12	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_12	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_12	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_12	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_12	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_12	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_12	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_12	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_12	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_12	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_12	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_12	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_12	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_12	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_12	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_12	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_12	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_12	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_12	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_12	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_12	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_12	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_12	OCC=C(C)C	C556821
PUBCHEM_12	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_12	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_12	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_12	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_12	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_12	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_12	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_12	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_12	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_12	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_12	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_12	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_12	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_12	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_12	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_12	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_12	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_12	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_12	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_12	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_12	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_12	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_12	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_12	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_12	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_12	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_12	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_12	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_12	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_12	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_12	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_12	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_12	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_12	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_12	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_12	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_12	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_12	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_12	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_12	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_12	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_12	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_12	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_12	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_12	O=CCCCCCCCCC=C	C112458
PUBCHEM_12	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_12	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_12	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_12	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_12	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_12	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_12	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_12	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_12	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_12	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_12	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_12	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_12	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_12	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_12	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_12	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_12	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_12	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_12	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_12	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_12	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_12	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_12	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_12	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_12	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_12	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_12	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_12	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_12	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_12	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_12	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_12	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_12	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_12	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_12	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_12	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_12	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_12	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_12	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_12	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_12	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_12	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_12	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_12	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_12	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_12	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_12	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_12	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_12	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_12	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_12	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_12	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_12	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_12	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_12	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_12	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_12	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_12	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_12	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_12	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_12	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_12	Cl[Hg]c1ccccc1	C100561
PUBCHEM_12	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_12	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_12	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_12	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_12	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_12	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_12	O=[As]c1ccccc1	C637036
PUBCHEM_12	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_12	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_12	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_12	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_12	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_12	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_12	IC(=C(I)I)I	C513928
PUBCHEM_12	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_12	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_12	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_12	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_12	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_12	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_12	O=CN1CCCCC1	C2591868
PUBCHEM_12	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_12	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_12	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_12	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_12	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_12	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_12	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_12	BrCCCCCCCCCCCC	C143157
PUBCHEM_12	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_12	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_12	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_12	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_12	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_12	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_12	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_12	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_12	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_12	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_12	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_12	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_12	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_12	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_12	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_12	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_12	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_12	O=C(OCCCCO)C=C	C2478106
PUBCHEM_12	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_12	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_12	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_12	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_12	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_12	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_12	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_12	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_12	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_12	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_12	NCCCOCCCCCCCC	C15930662
PUBCHEM_12	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_12	Nc1cccc(C)n1	C1824813
PUBCHEM_12	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_12	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_12	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_12	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_12	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_12	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_12	CC1COc2ccccc2N1	C32329207
PUBCHEM_12	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_12	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_12	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_12	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_12	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_12	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_12	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_12	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_12	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_12	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_12	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_12	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_12	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_12	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_12	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_12	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_12	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_12	SC1CCCC1	C1679078
PUBCHEM_12	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_12	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_12	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_12	S=C=NCCCSC	C505793
PUBCHEM_12	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_12	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_12	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_12	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_12	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_12	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_12	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_12	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_12	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_12	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_12	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_12	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_12	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_12	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_12	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_12	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_12	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_12	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_12	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_12	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_12	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_12	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_12	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_12	CCCCCc1ccco1	C3777693
PUBCHEM_12	CCC(=O)C(=O)CC	C4437518
PUBCHEM_12	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_12	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_13	CC(=O)N	C60355
PUBCHEM_13	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_13	C=CC#N	C107131
PUBCHEM_13	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_13	C=CCO	C107186
PUBCHEM_13	C=CCN=C=S	C57067
PUBCHEM_13	c1(nc[nH]n1)N	C61825
PUBCHEM_13	Nc1ccccc1.Cl	C142041
PUBCHEM_13	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_13	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_13	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_13	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_13	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_13	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_13	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_13	CC(=O)OCc1ccccc1	C140114
PUBCHEM_13	CC(CNCC(C)O)O	C110974
PUBCHEM_13	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_13	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_13	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_13	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_13	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_13	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_13	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_13	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_13	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_13	O=CCCl	C107200
PUBCHEM_13	ClCOC	C107302
PUBCHEM_13	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_13	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_13	NC(=N)NC#N	C461585
PUBCHEM_13	O=C1CCCCC1	C108941
PUBCHEM_13	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_13	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_13	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_13	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_13	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_13	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_13	BrCCBr	C106934
PUBCHEM_13	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_13	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_13	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_13	S=C(NCC)NCC	C105555
PUBCHEM_13	CN(C)C(=O)C	C127195
PUBCHEM_13	CN(CCO)C	C108010
PUBCHEM_13	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_13	CN(C)N	C57147
PUBCHEM_13	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_13	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_13	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_13	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_13	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_13	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_13	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_13	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_13	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_13	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_13	OC(CO)CCl	C96242
PUBCHEM_13	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_13	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_13	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_13	c1cccc2[nH]ccc12	C120729
PUBCHEM_13	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_13	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_13	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_13	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_13	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_13	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_13	COc1ccc(cc1)O	C150765
PUBCHEM_13	NC(=O)OC	C598550
PUBCHEM_13	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_13	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_13	C=Cc1ccc(cc1)C	C622979
PUBCHEM_13	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_13	NC(=O)c1cccnc1	C98920
PUBCHEM_13	OC(=O)c1cccnc1	C59676
PUBCHEM_13	O=[N+](CC)[O-]	C79243
PUBCHEM_13	CN(C(=O)N)N=O	C684935
PUBCHEM_13	CN(N=O)C	C62759
PUBCHEM_13	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_13	O=NN1CCCC1	C930552
PUBCHEM_13	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_13	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_13	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_13	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_13	Nc1ccc(cc1)N	C106503
PUBCHEM_13	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_13	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_13	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_13	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_13	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_13	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_13	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_13	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_13	NC(=S)N	C62566
PUBCHEM_13	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_13	Nc1ccccc1C.Cl	C636215
PUBCHEM_13	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_13	ClCC(Cl)CCl	C96184
PUBCHEM_13	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_13	O=P(OC)(OC)OC	C512561
PUBCHEM_13	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_13	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_13	O=CCc1ccccc1	C122781
PUBCHEM_13	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_13	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_13	OCCOCCOCCOCCCC	C143226
PUBCHEM_13	CCCCCCCCCC=O	C112312
PUBCHEM_13	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_13	O=CCCCCCC	C111717
PUBCHEM_13	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_13	CCCCCCCCC=O	C124196
PUBCHEM_13	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_13	OC(=O)CCCC	C109524
PUBCHEM_13	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_13	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_13	CS(=O)C	C67685
PUBCHEM_13	OCCC	C71238
PUBCHEM_13	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_13	OC(C)CN	C78966
PUBCHEM_13	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_13	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_13	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_13	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_13	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_13	O=Cc1ccccc1O	C90028
PUBCHEM_13	Oc1cccc2ccccc12	C90153
PUBCHEM_13	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_13	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_13	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_13	ON=C1CCCCC1	C100641
PUBCHEM_13	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_13	OCCN1CCNCC1	C103764
PUBCHEM_13	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_13	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_13	Oc1ccc(Cl)cc1	C106489
PUBCHEM_13	CC(O)CC(C)(C)O	C107415
PUBCHEM_13	CCCC(=O)C	C107879
PUBCHEM_13	C1CCCCC1O	C108930
PUBCHEM_13	N#CCC#N	C109773
PUBCHEM_13	CCCCCC(=O)C	C110430
PUBCHEM_13	C(O)C#CCO	C110656
PUBCHEM_13	CCNCCO	C110736
PUBCHEM_13	CCCCCCO	C111273
PUBCHEM_13	CCCCCCCO	C111706
PUBCHEM_13	CCCCCCCCCC(=O)C	C112129
PUBCHEM_13	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_13	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_13	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_13	Oc1ccc(CC)cc1	C123079
PUBCHEM_13	CCCCCC(=O)OCC	C123660
PUBCHEM_13	CCCCCCCCCCCCN	C124221
PUBCHEM_13	NCCN1CCNCC1	C140318
PUBCHEM_13	CCCCCCCCCO	C143088
PUBCHEM_13	COc1ccc(OC)cc1	C150787
PUBCHEM_13	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_13	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_13	O=C(OC(C)(C)C)C	C540885
PUBCHEM_13	Oc1ccc(CCC)cc1	C645567
PUBCHEM_13	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_13	C=CC(Cl)CCl	C760236
PUBCHEM_13	C=CC(=O)OCCO	C818611
PUBCHEM_13	CC/C=C\CCO	C928961
PUBCHEM_13	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_13	CCCCCCCCCCN	C2016571
PUBCHEM_13	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_13	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_13	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_13	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_13	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_13	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_13	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_13	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_13	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_13	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_13	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_13	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_13	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_13	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_13	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_13	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_13	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_13	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_13	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_13	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_13	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_13	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_13	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_13	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_13	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_13	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_13	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_13	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_13	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_13	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_13	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_13	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_13	c1(c(CC)cccc1)O	C90006
PUBCHEM_13	c1c(O)cccc1CC	C620177
PUBCHEM_13	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_13	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_13	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_13	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_13	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_13	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_13	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_13	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_13	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_13	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_13	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_13	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_13	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_13	c1cccc(OC)c1O	C90051
PUBCHEM_13	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_13	C(=O)(O)C(C)O	C50215
PUBCHEM_13	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_13	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_13	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_13	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_13	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_13	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_13	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_13	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_13	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_13	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_13	NC(CO)(CO)CO	C77861
PUBCHEM_13	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_13	C[Si](=O)C	C9016006
PUBCHEM_13	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_13	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_13	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_13	Cl/C=C/Cl	C156605
PUBCHEM_13	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_13	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_13	CNC	C124403
PUBCHEM_13	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_13	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_13	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_13	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_13	CC(=C)C#N	C126987
PUBCHEM_13	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_13	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_13	Cc1cc(O)ccc1	C108394
PUBCHEM_13	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_13	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_13	CC(O)COC	C107982
PUBCHEM_13	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_13	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_13	O=C(N)N=NC(=O)N	C123773
PUBCHEM_13	c1ccc2ncsc2c1	C95169
PUBCHEM_13	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_13	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_13	ON=CCCC	C110690
PUBCHEM_13	OCCCCO	C110634
PUBCHEM_13	O=C(OCCCC)C=C	C141322
PUBCHEM_13	C(C)(C)(C)N	C75649
PUBCHEM_13	C(OCCCC)C1CO1	C2426086
PUBCHEM_13	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_13	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_13	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_13	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_13	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_13	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_13	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_13	C(CCN)CCCN	C124094
PUBCHEM_13	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_13	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_13	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_13	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_13	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_13	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_13	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_13	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_13	N(CCN)CCN	C111400
PUBCHEM_13	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_13	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_13	N(CCCN)(C)C	C109557
PUBCHEM_13	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_13	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_13	OCNC(=O)NCO	C140954
PUBCHEM_13	Cc1c(C)cccc1O	C526750
PUBCHEM_13	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_13	C=Cc1ccccc1C=C	C1321740
PUBCHEM_13	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_13	C(CCCCCC)CCCCCS	C112550
PUBCHEM_13	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_13	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_13	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_13	C(CC)(C=O)CCCC	C123057
PUBCHEM_13	OCC(C(O)CCC)CC	C94962
PUBCHEM_13	CCC(=CCCC)C=O	C645625
PUBCHEM_13	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_13	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_13	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_13	c1c(CO)occ1	C98000
PUBCHEM_13	O=CCCCC=O	C111308
PUBCHEM_13	C(=O)(O)CO	C79141
PUBCHEM_13	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_13	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_13	C(C)(C)(O)C#N	C75865
PUBCHEM_13	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_13	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_13	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_13	O(C(C)C)C(=O)C	C108214
PUBCHEM_13	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_13	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_13	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_13	N#CC(CCC#N)C	C4553622
PUBCHEM_13	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_13	C1COCCN1	C110918
PUBCHEM_13	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_13	C(CCCCCCC)C	C111842
PUBCHEM_13	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_13	C(=O)(O)C(=O)O	C144627
PUBCHEM_13	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_13	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_13	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_13	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_13	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_13	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_13	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_13	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_13	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_13	c12ccccc1CCCC2	C119642
PUBCHEM_13	O=C(O)CS	C68111
PUBCHEM_13	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_13	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_13	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_13	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_13	N(C)(C)C	C75503
PUBCHEM_13	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_13	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_13	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_13	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_13	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_13	Cc1cccc(C)c1	C108383
PUBCHEM_13	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_13	OCCc1ccccc1	C60128
PUBCHEM_13	O=C(O)c1ccccc1O	C69727
PUBCHEM_13	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_13	N#CC(C)C	C78820
PUBCHEM_13	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_13	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_13	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_13	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_13	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_13	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_13	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_13	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_13	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_13	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_13	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_13	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_13	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_13	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_13	O=C1OCC(C)O1	C108327
PUBCHEM_13	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_13	Sc1ccccc1	C108985
PUBCHEM_13	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_13	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_13	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_13	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_13	N1CCCCCC1	C111499
PUBCHEM_13	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_13	O=C(C)OCCOCCCC	C112072
PUBCHEM_13	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_13	OCCOCCOCCOC	C112356
PUBCHEM_13	OCCOCCOCCOCCO	C112607
PUBCHEM_13	OCC(CO)(CO)CO	C115775
PUBCHEM_13	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_13	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_13	OC(CCCCCC)C	C123966
PUBCHEM_13	OCC(N)(C)C	C124685
PUBCHEM_13	OCC(C)(C)CO	C126307
PUBCHEM_13	Oc1ccc2ccccc2c1	C135193
PUBCHEM_13	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_13	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_13	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_13	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_13	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_13	Brc1ccc(F)cc1	C460004
PUBCHEM_13	C1=CC=CC1	C542927
PUBCHEM_13	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_13	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_13	O=C1NCCC1	C616455
PUBCHEM_13	O=COC(C)C	C625558
PUBCHEM_13	ClP(c1ccccc1)Cl	C644973
PUBCHEM_13	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_13	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_13	OC(C)COc1ccccc1	C770354
PUBCHEM_13	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_13	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_13	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_13	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_13	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_13	Nc1cccc(C)c1C	C1300738
PUBCHEM_13	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_13	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_13	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_13	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_13	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_13	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_13	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_13	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_13	NNC(=S)NN	C2231574
PUBCHEM_13	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_13	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_13	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_13	OCCOCCC	C2807309
PUBCHEM_13	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_13	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_13	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_13	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_13	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_13	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_13	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_13	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_13	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_13	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_13	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_13	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_13	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_13	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_13	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_13	Nc1c(C)cccc1CC	C24549062
PUBCHEM_13	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_13	Clc1cccc(C)c1	C25168052
PUBCHEM_13	CC(CO)O	C25322694
PUBCHEM_13	SC(C)(C)CCCCCC	C25360105
PUBCHEM_13	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_13	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_13	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_13	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_13	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_13	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_13	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_13	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_13	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_13	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_13	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_13	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_13	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_13	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_13	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_13	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_13	OCC1OCCC1	C97994
PUBCHEM_13	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_13	CN1CCOCC1	C109024
PUBCHEM_13	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_13	O=C1CCCC1	C120923
PUBCHEM_13	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_13	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_13	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_13	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_13	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_13	O=C(C=C(C)C)C	C141797
PUBCHEM_13	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_13	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_13	OC(C)COCCC	C1569013
PUBCHEM_13	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_13	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_13	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_13	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_13	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_13	OCC(CCC)CCCCC	C10042598
PUBCHEM_13	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_13	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_13	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_13	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_13	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_13	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_13	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_13	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_13	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_13	n1c[nH]cc1	C288324
PUBCHEM_13	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_13	N#C[S-].[NH4+]	C1762954
PUBCHEM_13	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_13	OC(OCCCC)CC	C29387868
PUBCHEM_13	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_13	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_13	ClC(Cl)(C)C	C594207
PUBCHEM_13	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_13	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_13	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_13	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_13	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_13	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_13	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_13	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_13	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_13	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_13	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_13	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_13	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_13	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_13	OCn1nc(C)cc1C	C85264331
PUBCHEM_13	OCCSCCCCCCCC	C3547339
PUBCHEM_13	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_13	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_13	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_13	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_13	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_13	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_13	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_13	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_13	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_13	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_13	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_13	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_13	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_13	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_13	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_13	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_13	OC1CCCC1	C96413
PUBCHEM_13	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_13	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_13	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_13	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_13	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_13	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_13	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_13	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_13	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_13	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_13	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_13	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_13	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_13	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_13	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_13	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_13	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_13	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_13	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_13	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_13	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_13	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_13	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_13	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_13	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_13	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_13	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_13	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_13	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_13	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_13	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_13	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_13	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_13	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_13	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_13	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_13	OC(CCCCC)C=C	C3391864
PUBCHEM_13	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_13	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_13	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_13	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_13	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_13	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_13	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_13	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_13	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_13	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_13	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_13	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_13	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_13	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_13	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_13	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_13	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_13	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_13	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_13	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_13	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_13	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_13	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_13	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_13	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_13	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_13	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_13	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_13	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_13	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_13	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_13	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_13	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_13	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_13	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_13	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_13	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_13	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_13	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_13	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_13	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_13	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_13	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_13	O=C(CC)OCC	C105373
PUBCHEM_13	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_13	O=C(c1ccccc1O)C	C118934
PUBCHEM_13	O=C1OCC(CC)O1	C4437858
PUBCHEM_13	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_13	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_13	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_13	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_13	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_13	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_13	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_13	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_13	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_13	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_13	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_13	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_13	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_13	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_13	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_13	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_13	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_13	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_13	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_13	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_13	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_13	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_13	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_13	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_13	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_13	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_13	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_13	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_13	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_13	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_13	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_13	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_13	CC(O)COCC	C1569024
PUBCHEM_13	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_13	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_13	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_13	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_13	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_13	Oc1ccccc1CN(C)C	C120650
PUBCHEM_13	O=C1CCC(O1)CC	C695067
PUBCHEM_13	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_13	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_13	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_13	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_13	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_13	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_13	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_13	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_13	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_13	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_13	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_13	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_13	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_13	O=C/C=C/CCC	C6728263
PUBCHEM_13	O1C=CCCC1	C110872
PUBCHEM_13	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_13	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_13	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_13	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_13	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_13	OCC=Cc1ccccc1	C104541
PUBCHEM_13	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_13	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_13	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_13	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_13	NCCCN1CCOCC1	C123002
PUBCHEM_13	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_13	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_13	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_13	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_13	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_13	O=C(CCC)OCCCCC	C540181
PUBCHEM_13	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_13	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_13	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_13	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_13	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_13	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_13	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_13	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_13	N#Cc1c(O)cccc1	C611201
PUBCHEM_13	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_13	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_13	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_13	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_13	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_13	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_13	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_13	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_13	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_13	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_13	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_13	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_13	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_13	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_13	OP(OCC)OCC	C762049
PUBCHEM_13	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_13	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_13	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_13	OCCOCC(CC)CCCC	C1559359
PUBCHEM_13	O=C(CC)CCCCC	C106683
PUBCHEM_13	OCCN(CC)CCO	C139877
PUBCHEM_13	CCOC(OCC)OCC	C122510
PUBCHEM_13	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_13	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_13	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_13	O=C(CF)O	C144490
PUBCHEM_13	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_13	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_13	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_13	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_13	c12ccccc1CC=C2	C95136
PUBCHEM_13	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_13	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_13	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_13	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_13	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_13	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_13	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_13	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_13	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_13	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_13	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_13	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_13	S=C(NC)NC	C534134
PUBCHEM_13	OC(C)C(=O)OCCCC	C138227
PUBCHEM_13	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_13	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_13	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_13	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_13	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_13	Oc1c(OCC)cccc1	C94713
PUBCHEM_13	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_13	COc1ccc(CCC)cc1	C104450
PUBCHEM_13	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_13	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_13	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_13	CO[Si](C)(C)OC	C1112396
PUBCHEM_13	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_13	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_13	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_13	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_13	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_13	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_13	OC(CO)c1ccccc1	C93561
PUBCHEM_13	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_13	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_13	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_13	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_13	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_13	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_13	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_13	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_13	O=C(N)Nc1ccccc1	C64108
PUBCHEM_13	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_13	O=C(C)OCCCCCCCC	C112141
PUBCHEM_13	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_13	NNC(=S)NC	C6610293
PUBCHEM_13	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_13	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_13	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_13	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_13	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_13	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_13	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_13	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_13	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_13	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_13	NCCN.I.I	C5700492
PUBCHEM_13	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_13	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_13	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_13	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_13	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_13	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_13	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_13	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_13	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_13	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_13	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_13	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_13	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_13	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_13	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_13	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_13	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_13	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_13	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_13	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_13	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_13	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_13	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_13	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_13	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_13	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_13	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_13	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_13	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_13	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_13	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_13	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_13	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_13	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_13	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_13	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_13	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_13	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_13	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_13	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_13	OCCOCC(C)OCCO	C9003116
PUBCHEM_13	O=C1OC(CCC)CC1	C105215
PUBCHEM_13	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_13	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_13	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_13	C=O	C50000
PUBCHEM_13	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_13	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_13	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_13	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_13	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_13	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_13	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_13	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_13	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_13	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_13	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_13	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_13	Sc1ccc(C)cc1	C106456
PUBCHEM_13	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_13	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_13	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_13	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_13	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_13	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_13	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_13	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_13	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_13	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_13	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_13	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_13	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_13	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_13	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_13	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_13	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_13	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_13	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_13	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_13	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_13	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_13	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_13	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_13	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_13	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_13	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_13	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_13	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_13	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_13	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_13	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_13	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_13	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_13	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_13	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_13	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_13	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_13	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_13	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_13	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_13	C[As](=O)(C)O	C75605
PUBCHEM_13	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_13	S=C1NCCN1	C96457
PUBCHEM_13	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_13	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_13	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_13	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_13	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_13	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_13	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_13	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_13	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_13	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_13	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_13	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_13	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_13	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_13	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_13	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_13	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_13	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_13	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_13	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_13	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_13	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_13	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_13	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_13	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_13	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_13	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_13	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_13	c1ccccc1OCCO	C122996
PUBCHEM_13	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_13	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_13	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_13	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_13	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_13	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_13	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_13	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_13	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_13	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_13	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_13	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_13	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_13	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_13	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_13	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_13	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_13	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_13	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_13	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_13	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_13	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_13	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_13	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_13	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_13	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_13	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_13	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_13	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_13	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_13	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_13	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_13	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_13	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_13	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_13	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_13	ClCCP(=O)(O)O	C16672870
PUBCHEM_13	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_13	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_13	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_13	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_13	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_13	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_13	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_13	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_13	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_13	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_13	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_13	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_13	NP(=O)(OC)SC	C10265926
PUBCHEM_13	OCCOC	C109864
PUBCHEM_13	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_13	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_13	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_13	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_13	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_13	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_13	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_13	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_13	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_13	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_13	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_13	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_13	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_13	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_13	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_13	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_13	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_13	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_13	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_13	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_13	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_13	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_13	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_13	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_13	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_13	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_13	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_13	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_13	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_13	CN1CN(C)CSC1=S	C533744
PUBCHEM_13	C(SC#N)SC#N	C6317186
PUBCHEM_13	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_13	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_13	S=C=NC	C556616
PUBCHEM_13	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_13	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_13	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_13	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_13	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_13	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_13	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_13	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_13	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_13	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_13	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_13	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_13	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_13	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_13	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_13	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_13	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_13	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_13	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_13	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_13	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_13	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_13	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_13	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_13	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_13	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_13	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_13	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_13	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_13	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_13	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_13	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_13	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_13	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_13	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_13	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_13	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_13	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_13	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_13	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_13	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_13	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_13	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_13	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_13	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_13	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_13	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_13	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_13	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_13	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_13	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_13	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_13	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_13	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_13	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_13	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_13	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_13	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_13	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_13	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_13	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_13	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_13	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_13	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_13	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_13	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_13	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_13	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_13	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_13	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_13	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_13	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_13	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_13	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_13	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_13	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_13	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_13	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_13	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_13	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_13	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_13	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_13	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_13	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_13	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_13	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_13	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_13	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_13	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_13	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_13	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_13	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_13	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_13	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_13	N#CN	C420042
PUBCHEM_13	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_13	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_13	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_13	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_13	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_13	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_13	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_13	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_13	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_13	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_13	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_13	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_13	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_13	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_13	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_13	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_13	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_13	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_13	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_13	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_13	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_13	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_13	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_13	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_13	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_13	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_13	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_13	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_13	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_13	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_13	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_13	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_13	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_13	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_13	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_13	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_13	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_13	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_13	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_13	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_13	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_13	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_13	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_13	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_13	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_13	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_13	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_13	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_13	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_13	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_13	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_13	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_13	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_13	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_13	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_13	NC(=O)C=C	C79061
PUBCHEM_13	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_13	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_13	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_13	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_13	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_13	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_13	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_13	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_13	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_13	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_13	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_13	c1coc2c1cccc2	C271896
PUBCHEM_13	OC(=O)c1ccccc1	C65850
PUBCHEM_13	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_13	OCc1ccccc1	C100516
PUBCHEM_13	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_13	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_13	ClCCOCCCl	C111444
PUBCHEM_13	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_13	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_13	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_13	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_13	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_13	O=C1CCCO1	C96480
PUBCHEM_13	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_13	O=C1CCCCCN1	C105602
PUBCHEM_13	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_13	Oc1c(cccc1)O	C120809
PUBCHEM_13	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_13	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_13	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_13	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_13	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_13	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_13	O=C(c1ccccc1)CCl	C532274
PUBCHEM_13	Nc1ccc(cc1)Cl	C106478
PUBCHEM_13	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_13	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_13	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_13	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_13	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_13	Nc1cc(ccc1OC)C	C120718
PUBCHEM_13	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_13	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_13	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_13	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_13	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_13	OC(=O)C(Cl)Cl	C79436
PUBCHEM_13	Clc1c(cccc1)Cl	C95501
PUBCHEM_13	Clc1ccc(cc1)Cl	C106467
PUBCHEM_13	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_13	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_13	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_13	OCCOCCO	C111466
PUBCHEM_13	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_13	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_13	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_13	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_13	CN(c1ccccc1)C	C121697
PUBCHEM_13	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_13	O=C(N(C)C)Cl	C79447
PUBCHEM_13	CN(C=O)C	C68122
PUBCHEM_13	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_13	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_13	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_13	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_13	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_13	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_13	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_13	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_13	C(CO)O	C107211
PUBCHEM_13	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_13	CCC(CCCC)CO	C104767
PUBCHEM_13	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_13	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_13	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_13	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_13	O=Cc1ccco1	C98011
PUBCHEM_13	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_13	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_13	OCC(O)CO	C56815
PUBCHEM_13	OCC1CO1	C556525
PUBCHEM_13	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_13	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_13	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_13	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_13	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_13	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_13	Oc1ccc(cc1)O	C123319
PUBCHEM_13	Oc1cccc2cccnc12	C148243
PUBCHEM_13	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_13	O=C(c1ccncc1)NN	C54853
PUBCHEM_13	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_13	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_13	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_13	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_13	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_13	CS(=O)(=O)OC	C66273
PUBCHEM_13	O=C1N(CCC1)C	C872504
PUBCHEM_13	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_13	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_13	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_13	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_13	Cc1cc2cccnc2cc1	C91623
PUBCHEM_13	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_13	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_13	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_13	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_13	c1c2c(ccc1)cccc2	C91203
PUBCHEM_13	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_13	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_13	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_13	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_13	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_13	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_13	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_13	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_13	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_13	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_13	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_13	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_13	O=NN(CCCC)CCCC	C924163
PUBCHEM_13	CCN(CC)N=O	C55185
PUBCHEM_13	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_13	O=NN(CCC)CCC	C621647
PUBCHEM_13	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_13	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_13	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_13	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_13	Oc1ccccc1	C108952
PUBCHEM_13	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_13	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_13	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_13	Nc1cc(ccc1)N	C108452
PUBCHEM_13	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_13	C1CNCCN1	C110850
PUBCHEM_13	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_13	O=S1(=O)CCCO1	C1120714
PUBCHEM_13	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_13	CC(CO)O	C57556
PUBCHEM_13	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_13	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_13	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_13	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_13	Oc1cc(ccc1)O	C108463
PUBCHEM_13	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_13	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_13	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_13	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_13	OC(=O)C=CC=CC	C110441
PUBCHEM_13	C1C(c2ccccc2)O1	C96093
PUBCHEM_13	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_13	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_13	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_13	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_13	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_13	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_13	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_13	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_13	OCCN(CCO)CCO	C102716
PUBCHEM_13	OCCOCCOCCO	C112276
PUBCHEM_13	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_13	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_13	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_13	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_13	C(=O)(N)N	C57136
PUBCHEM_13	NC(=O)OCC	C51796
PUBCHEM_13	O=C1N(C=C)CCC1	C88120
PUBCHEM_13	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_13	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_13	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_13	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_13	OC(=O)CCC	C107926
PUBCHEM_13	CCCCOCCOCCO	C112345
PUBCHEM_13	Oc1ccccc1Cl	C95578
PUBCHEM_13	CCCCCCCCCC(=O)O	C334485
PUBCHEM_13	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_13	O=C(O)CCCCCC	C111148
PUBCHEM_13	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_13	CCCCCC(=O)O	C142621
PUBCHEM_13	CCCCCCCCC(=O)O	C112050
PUBCHEM_13	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_13	CCCCCCCC=O	C124130
PUBCHEM_13	CCCCCCCC(=O)O	C124072
PUBCHEM_13	CCCCC=O	C110623
PUBCHEM_13	CCCCCCCCCCC	C1120214
PUBCHEM_13	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_13	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_13	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_13	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_13	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_13	n1cccc2c1cccc2	C91225
PUBCHEM_13	CCN(CC)c1ccccc1	C91667
PUBCHEM_13	Oc1c(C)cccc1	C95487
PUBCHEM_13	CCC(=NO)C	C96297
PUBCHEM_13	c1ccccc1C(=O)C	C98862
PUBCHEM_13	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_13	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_13	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_13	CCN(CCO)CC	C100378
PUBCHEM_13	CCNc1cc(C)ccc1	C102272
PUBCHEM_13	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_13	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_13	Oc1ccc(C)cc1	C106445
PUBCHEM_13	Nc1ccc(C)cc1	C106490
PUBCHEM_13	ClCCO	C107073
PUBCHEM_13	CC(=O)OCCOCC	C111159
PUBCHEM_13	OCCNCCO	C111422
PUBCHEM_13	N#CCCCCC#N	C111693
PUBCHEM_13	CCCCCCCCO	C111875
PUBCHEM_13	CCOCCOCCO	C111900
PUBCHEM_13	CCCCCCCCCCO	C112301
PUBCHEM_13	CCCCCCCCCCCCCO	C112709
PUBCHEM_13	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_13	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_13	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_13	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_13	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_13	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_13	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_13	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_13	OCCN	C141435
PUBCHEM_13	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_13	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_13	Clc1cc(Cl)ccc1	C541731
PUBCHEM_13	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_13	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_13	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_13	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_13	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_13	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_13	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_13	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_13	c1(CCCC)ccccc1	C104518
PUBCHEM_13	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_13	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_13	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_13	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_13	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_13	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_13	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_13	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_13	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_13	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_13	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_13	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_13	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_13	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_13	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_13	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_13	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_13	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_13	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_13	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_13	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_13	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_13	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_13	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_13	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_13	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_13	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_13	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_13	Nc1c(OC)cccc1	C90040
PUBCHEM_13	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_13	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_13	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_13	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_13	Cc1ccccc1Cl	C95498
PUBCHEM_13	NC1CCCCC1	C108918
PUBCHEM_13	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_13	O=S(=O)(OCC)OCC	C64675
PUBCHEM_13	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_13	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_13	O=S(=O)(OC)OC	C77781
PUBCHEM_13	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_13	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_13	Oc1c(cccc1C)C	C576261
PUBCHEM_13	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_13	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_13	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_13	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_13	CCOCCO	C110805
PUBCHEM_13	CCCCOCCO	C111762
PUBCHEM_13	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_13	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_13	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_13	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_13	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_13	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_13	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_13	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_13	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_13	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_13	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_13	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_13	OCCOCCOCCOCC	C112505
PUBCHEM_13	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_13	ON=CC(C)(C)SC	C1646759
PUBCHEM_13	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_13	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_13	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_13	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_13	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_13	O(CCOC)CCOC	C111966
PUBCHEM_13	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_13	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_13	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_13	Cc1ccc(Cl)cc1	C106434
PUBCHEM_13	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_13	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_13	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_13	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_13	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_13	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_13	C(CCCCCCCC)C	C124185
PUBCHEM_13	Nc1cc(C)ccc1N	C496720
PUBCHEM_13	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_13	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_13	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_13	OC(CCl)CCl	C96231
PUBCHEM_13	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_13	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_13	O(CCOC)CCO	C111773
PUBCHEM_13	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_13	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_13	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_13	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_13	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_13	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_13	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_13	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_13	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_13	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_13	N(c1ccccc1)CC	C103695
PUBCHEM_13	O=C(O)C(CCCC)CC	C149575
PUBCHEM_13	C(=O)(N)NO	C127071
PUBCHEM_13	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_13	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_13	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_13	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_13	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_13	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_13	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_13	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_13	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_13	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_13	Nc1c(N)cccc1	C95545
PUBCHEM_13	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_13	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_13	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_13	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_13	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_13	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_13	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_13	Nc1c(cccc1)C	C95534
PUBCHEM_13	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_13	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_13	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_13	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_13	C(OCCOC)COCCOC	C112492
PUBCHEM_13	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_13	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_13	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_13	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_13	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_13	Nc1c(cccc1C)C	C87627
PUBCHEM_13	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_13	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_13	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_13	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_13	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_13	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_13	N#Cc1cnccc1	C100549
PUBCHEM_13	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_13	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_13	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_13	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_13	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_13	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_13	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_13	OCCC(O)C	C107880
PUBCHEM_13	OC(CC(C)C)C	C108112
PUBCHEM_13	Nc1cccc(C)c1	C108441
PUBCHEM_13	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_13	O=C(OC)CCCCCCC	C111115
PUBCHEM_13	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_13	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_13	OCCOCCCCCC	C112254
PUBCHEM_13	OCCCCCCCCCCC	C112425
PUBCHEM_13	OCCCCCCCCCCCC	C112538
PUBCHEM_13	OCCCCCCCCCCCCCC	C112721
PUBCHEM_13	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_13	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_13	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_13	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_13	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_13	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_13	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_13	[nH]1ncnc1	C288880
PUBCHEM_13	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_13	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_13	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_13	Nc1c(CC)cccc1CC	C579668
PUBCHEM_13	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_13	O=C(C)OCCCCC	C628637
PUBCHEM_13	CCCCCCCCCCCCCCC	C629629
PUBCHEM_13	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_13	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_13	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_13	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_13	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_13	Nc1cccc(C)c1N	C2687254
PUBCHEM_13	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_13	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_13	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_13	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_13	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_13	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_13	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_13	OC(OC(O)CC)CC	C25265718
PUBCHEM_13	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_13	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_13	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_13	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_13	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_13	OC(OCCCOC)CC	C34590948
PUBCHEM_13	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_13	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_13	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_13	O=C(OC)CC(=O)OC	C108598
PUBCHEM_13	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_13	CCC12N(COC1)COC2	C7747355
PUBCHEM_13	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_13	O=C(N)C(=C)C	C79390
PUBCHEM_13	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_13	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_13	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_13	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_13	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_13	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_13	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_13	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_13	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_13	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_13	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_13	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_13	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_13	O=Cc1ccccc1C=O	C643798
PUBCHEM_13	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_13	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_13	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_13	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_13	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_13	Nn1cnnc1	C584134
PUBCHEM_13	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_13	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_13	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_13	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_13	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_13	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_13	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_13	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_13	CCCCCCCCN(C)C	C7378996
PUBCHEM_13	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_13	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_13	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_13	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_13	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_13	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_13	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_13	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_13	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_13	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_13	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_13	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_13	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_13	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_13	O=C(CCC)OCC	C105544
PUBCHEM_13	O=C(OCC)CCCCCC	C106309
PUBCHEM_13	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_13	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_13	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_13	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_13	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_13	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_13	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_13	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_13	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_13	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_13	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_13	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_13	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_13	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_13	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_13	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_13	CCCc1ccccc1	C103651
PUBCHEM_13	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_13	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_13	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_13	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_13	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_13	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_13	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_13	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_13	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_13	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_13	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_13	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_13	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_13	CC(C)(C)c1ccccc1	C98066
PUBCHEM_13	O=C(C)NC	C79163
PUBCHEM_13	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_13	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_13	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_13	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_13	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_13	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_13	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_13	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_13	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_13	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_13	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_13	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_13	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_13	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_13	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_13	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_13	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_13	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_13	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_13	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_13	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_13	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_13	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_13	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_13	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_13	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_13	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_13	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_13	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_13	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_13	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_13	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_13	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_13	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_13	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_13	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_13	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_13	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_13	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_13	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_13	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_13	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_13	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_13	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_13	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_13	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_13	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_13	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_13	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_13	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_13	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_13	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_13	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_13	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_13	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_13	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_13	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_13	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_13	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_13	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_13	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_13	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_13	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_13	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_13	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_13	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_13	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_13	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_13	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_13	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_13	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_13	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_13	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_13	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_13	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_13	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_13	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_13	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_13	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_13	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_13	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_13	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_13	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_13	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_13	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_13	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_13	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_13	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_13	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_13	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_13	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_13	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_13	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_13	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_13	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_13	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_13	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_13	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_13	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_13	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_13	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_13	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_13	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_13	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_13	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_13	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_13	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_13	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_13	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_13	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_13	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_13	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_13	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_13	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_13	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_13	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_13	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_13	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_13	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_13	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_13	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_13	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_13	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_13	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_13	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_13	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_13	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_13	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_13	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_13	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_13	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_13	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_13	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_13	C(=O)N	C75127
PUBCHEM_13	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_13	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_13	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_13	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_13	N#CC(Br)Br	C3252435
PUBCHEM_13	OCCCBr	C627189
PUBCHEM_13	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_13	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_13	C(=O)(C)O	C64197
PUBCHEM_13	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_13	C(CO)C(C)C	C123513
PUBCHEM_13	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_13	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_13	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_13	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_13	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_13	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_13	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_13	NCCOCCOCCN	C929599
PUBCHEM_13	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_13	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_13	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_13	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_13	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_13	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_13	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_13	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_13	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_13	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_13	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_13	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_13	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_13	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_13	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_13	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_13	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_13	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_13	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_13	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_13	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_13	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_13	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_13	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_13	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_13	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_13	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_13	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_13	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_13	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_13	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_13	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_13	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_13	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_13	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_13	OCCC(OC)C	C2517433
PUBCHEM_13	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_13	S=C(NCCCC)NCCCC	C109466
PUBCHEM_13	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_13	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_13	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_13	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_13	O=COCC	C109944
PUBCHEM_13	O=C(OCC)c1ccccc1	C93890
PUBCHEM_13	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_13	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_13	NCc1cccc(CN)c1	C1477550
PUBCHEM_13	O=CCCSC	C3268493
PUBCHEM_13	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_13	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_13	N(CCN(C)C)(C)C	C110189
PUBCHEM_13	CCN(CC)CC	C121448
PUBCHEM_13	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_13	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_13	CC(=O)OCC	C141786
PUBCHEM_13	CC(=O)OCCCC	C123864
PUBCHEM_13	CC(=O)CCC(C)C	C110123
PUBCHEM_13	n1cc(C)ccc1	C108996
PUBCHEM_13	CC(=O)CC(C)C	C108101
PUBCHEM_13	NCCN	C107153
PUBCHEM_13	CC(C)C=O	C78842
PUBCHEM_13	CCCCCC=O	C66251
PUBCHEM_13	CCCC=O	C123728
PUBCHEM_13	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_13	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_13	CCC1CO1	C106887
PUBCHEM_13	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_13	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_13	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_13	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_13	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_13	CC1CC(=O)O1	C3068880
PUBCHEM_13	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_13	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_13	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_13	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_13	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_13	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_13	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_13	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_13	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_13	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_13	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_13	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_13	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_13	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_13	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_13	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_13	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_13	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_13	NNc1ccccc1.Cl	C59881
PUBCHEM_13	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_13	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_13	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_13	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_13	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_13	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_13	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_13	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_13	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_13	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_13	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_13	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_13	N#Cc1ccccc1	C100470
PUBCHEM_13	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_13	O=C(CCl)CCl	C534076
PUBCHEM_13	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_13	CC(=O)C(=O)O	C127173
PUBCHEM_13	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_13	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_13	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_13	Nc1ccc(Br)cc1	C106401
PUBCHEM_13	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_13	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_13	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_13	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_13	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_13	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_13	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_13	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_13	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_13	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_13	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_13	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_13	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_13	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_13	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_13	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_13	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_13	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_13	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_13	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_13	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_13	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_13	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_13	Nc1ccc(OC)cc1	C104949
PUBCHEM_13	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_13	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_13	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_13	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_13	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_13	O=CC=CC=CCCCCC	C25152845
PUBCHEM_13	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_13	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_13	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_13	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_13	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_13	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_13	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_13	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_13	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_13	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_13	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_13	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_13	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_13	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_13	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_13	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_13	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_13	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_13	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_13	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_13	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_13	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_13	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_13	OCC=C(C)C	C556821
PUBCHEM_13	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_13	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_13	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_13	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_13	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_13	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_13	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_13	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_13	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_13	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_13	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_13	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_13	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_13	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_13	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_13	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_13	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_13	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_13	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_13	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_13	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_13	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_13	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_13	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_13	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_13	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_13	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_13	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_13	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_13	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_13	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_13	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_13	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_13	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_13	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_13	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_13	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_13	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_13	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_13	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_13	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_13	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_13	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_13	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_13	O=CCCCCCCCCC=C	C112458
PUBCHEM_13	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_13	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_13	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_13	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_13	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_13	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_13	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_13	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_13	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_13	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_13	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_13	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_13	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_13	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_13	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_13	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_13	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_13	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_13	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_13	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_13	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_13	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_13	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_13	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_13	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_13	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_13	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_13	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_13	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_13	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_13	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_13	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_13	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_13	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_13	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_13	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_13	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_13	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_13	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_13	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_13	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_13	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_13	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_13	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_13	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_13	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_13	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_13	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_13	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_13	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_13	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_13	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_13	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_13	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_13	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_13	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_13	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_13	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_13	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_13	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_13	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_13	Cl[Hg]c1ccccc1	C100561
PUBCHEM_13	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_13	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_13	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_13	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_13	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_13	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_13	O=[As]c1ccccc1	C637036
PUBCHEM_13	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_13	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_13	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_13	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_13	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_13	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_13	IC(=C(I)I)I	C513928
PUBCHEM_13	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_13	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_13	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_13	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_13	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_13	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_13	O=CN1CCCCC1	C2591868
PUBCHEM_13	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_13	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_13	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_13	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_13	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_13	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_13	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_13	BrCCCCCCCCCCCC	C143157
PUBCHEM_13	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_13	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_13	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_13	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_13	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_13	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_13	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_13	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_13	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_13	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_13	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_13	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_13	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_13	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_13	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_13	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_13	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_13	O=C(OCCCCO)C=C	C2478106
PUBCHEM_13	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_13	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_13	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_13	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_13	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_13	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_13	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_13	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_13	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_13	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_13	NCCCOCCCCCCCC	C15930662
PUBCHEM_13	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_13	Nc1cccc(C)n1	C1824813
PUBCHEM_13	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_13	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_13	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_13	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_13	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_13	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_13	CC1COc2ccccc2N1	C32329207
PUBCHEM_13	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_13	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_13	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_13	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_13	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_13	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_13	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_13	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_13	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_13	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_13	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_13	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_13	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_13	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_13	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_13	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_13	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_13	SC1CCCC1	C1679078
PUBCHEM_13	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_13	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_13	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_13	S=C=NCCCSC	C505793
PUBCHEM_13	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_13	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_13	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_13	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_13	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_13	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_13	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_13	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_13	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_13	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_13	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_13	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_13	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_13	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_13	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_13	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_13	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_13	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_13	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_13	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_13	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_13	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_13	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_13	CCCCCc1ccco1	C3777693
PUBCHEM_13	CCC(=O)C(=O)CC	C4437518
PUBCHEM_13	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_13	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_14	CC(=O)N	C60355
PUBCHEM_14	C=CC#N	C107131
PUBCHEM_14	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_14	C=CCN=C=S	C57067
PUBCHEM_14	c1(nc[nH]n1)N	C61825
PUBCHEM_14	Nc1ccccc1.Cl	C142041
PUBCHEM_14	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_14	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_14	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_14	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_14	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_14	CC(CNCC(C)O)O	C110974
PUBCHEM_14	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_14	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_14	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_14	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_14	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_14	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_14	NC(=N)NC#N	C461585
PUBCHEM_14	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_14	S=C(NCC)NCC	C105555
PUBCHEM_14	CN(C)C(=O)C	C127195
PUBCHEM_14	CN(CCO)C	C108010
PUBCHEM_14	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_14	CN(C)N	C57147
PUBCHEM_14	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_14	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_14	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_14	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_14	c1cccc2[nH]ccc12	C120729
PUBCHEM_14	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_14	NC(=O)OC	C598550
PUBCHEM_14	NC(=O)c1cccnc1	C98920
PUBCHEM_14	OC(=O)c1cccnc1	C59676
PUBCHEM_14	O=[N+](CC)[O-]	C79243
PUBCHEM_14	CN(C(=O)N)N=O	C684935
PUBCHEM_14	CN(N=O)C	C62759
PUBCHEM_14	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_14	O=NN1CCCC1	C930552
PUBCHEM_14	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_14	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_14	Nc1ccc(cc1)N	C106503
PUBCHEM_14	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_14	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_14	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_14	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_14	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_14	NC(=S)N	C62566
PUBCHEM_14	Nc1ccccc1C.Cl	C636215
PUBCHEM_14	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_14	OC(C)CN	C78966
PUBCHEM_14	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_14	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_14	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_14	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_14	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_14	ON=C1CCCCC1	C100641
PUBCHEM_14	OCCN1CCNCC1	C103764
PUBCHEM_14	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_14	N#CCC#N	C109773
PUBCHEM_14	CCNCCO	C110736
PUBCHEM_14	CCCCCCCCCCCCN	C124221
PUBCHEM_14	NCCN1CCNCC1	C140318
PUBCHEM_14	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_14	CCCCCCCCCCN	C2016571
PUBCHEM_14	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_14	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_14	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_14	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_14	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_14	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_14	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_14	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_14	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_14	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_14	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_14	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_14	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_14	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_14	NC(CO)(CO)CO	C77861
PUBCHEM_14	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_14	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_14	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_14	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_14	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_14	CNC	C124403
PUBCHEM_14	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_14	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_14	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_14	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_14	CC(=C)C#N	C126987
PUBCHEM_14	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_14	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_14	O=C(N)N=NC(=O)N	C123773
PUBCHEM_14	c1ccc2ncsc2c1	C95169
PUBCHEM_14	ON=CCCC	C110690
PUBCHEM_14	C(C)(C)(C)N	C75649
PUBCHEM_14	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_14	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_14	C(CCN)CCCN	C124094
PUBCHEM_14	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_14	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_14	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_14	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_14	N(CCN)CCN	C111400
PUBCHEM_14	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_14	N(CCCN)(C)C	C109557
PUBCHEM_14	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_14	OCNC(=O)NCO	C140954
PUBCHEM_14	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_14	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_14	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_14	C(C)(C)(O)C#N	C75865
PUBCHEM_14	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_14	N#CC(CCC#N)C	C4553622
PUBCHEM_14	C1COCCN1	C110918
PUBCHEM_14	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_14	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_14	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_14	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_14	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_14	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_14	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_14	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_14	N(C)(C)C	C75503
PUBCHEM_14	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_14	N#CC(C)C	C78820
PUBCHEM_14	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_14	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_14	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_14	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_14	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_14	N1CCCCCC1	C111499
PUBCHEM_14	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_14	OCC(N)(C)C	C124685
PUBCHEM_14	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_14	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_14	O=C1NCCC1	C616455
PUBCHEM_14	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_14	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_14	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_14	Nc1cccc(C)c1C	C1300738
PUBCHEM_14	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_14	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_14	NNC(=S)NN	C2231574
PUBCHEM_14	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_14	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_14	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_14	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_14	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_14	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_14	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_14	Nc1c(C)cccc1CC	C24549062
PUBCHEM_14	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_14	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_14	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_14	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_14	CN1CCOCC1	C109024
PUBCHEM_14	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_14	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_14	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_14	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_14	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_14	n1c[nH]cc1	C288324
PUBCHEM_14	N#C[S-].[NH4+]	C1762954
PUBCHEM_14	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_14	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_14	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_14	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_14	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_14	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_14	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_14	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_14	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_14	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_14	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_14	OCn1nc(C)cc1C	C85264331
PUBCHEM_14	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_14	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_14	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_14	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_14	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_14	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_14	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_14	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_14	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_14	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_14	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_14	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_14	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_14	O=S(=O)(N)O	C5329146
PUBCHEM_14	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_14	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_14	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_14	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_14	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_14	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_14	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_14	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_14	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_14	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_14	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_14	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_14	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_14	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_14	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_14	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_14	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_14	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_14	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_14	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_14	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_14	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_14	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_14	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_14	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_14	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_14	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_14	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_14	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_14	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_14	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_14	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_14	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_14	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_14	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_14	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_14	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_14	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_14	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_14	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_14	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_14	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_14	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_14	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_14	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_14	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_14	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_14	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_14	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_14	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_14	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_14	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_14	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_14	Oc1ccccc1CN(C)C	C120650
PUBCHEM_14	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_14	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_14	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_14	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_14	NCCCN1CCOCC1	C123002
PUBCHEM_14	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_14	N#Cc1c(O)cccc1	C611201
PUBCHEM_14	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_14	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_14	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_14	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_14	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_14	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_14	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_14	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_14	OCCN(CC)CCO	C139877
PUBCHEM_14	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_14	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_14	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_14	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_14	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_14	S=C(NC)NC	C534134
PUBCHEM_14	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_14	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_14	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_14	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_14	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_14	O=C(N)Nc1ccccc1	C64108
PUBCHEM_14	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_14	NNC(=S)NC	C6610293
PUBCHEM_14	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_14	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_14	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_14	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_14	NCCN.I.I	C5700492
PUBCHEM_14	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_14	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_14	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_14	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_14	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_14	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_14	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_14	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_14	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_14	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_14	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_14	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_14	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_14	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_14	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_14	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_14	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_14	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_14	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_14	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_14	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_14	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_14	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_14	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_14	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_14	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_14	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_14	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_14	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_14	S=C1NCCN1	C96457
PUBCHEM_14	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_14	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_14	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_14	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_14	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_14	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_14	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_14	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_14	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_14	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_14	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_14	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_14	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_14	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_14	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_14	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_14	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_14	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_14	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_14	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_14	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_14	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_14	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_14	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_14	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_14	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_14	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_14	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_14	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_14	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_14	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_14	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_14	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_14	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_14	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_14	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_14	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_14	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_14	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_14	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_14	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_14	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_14	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_14	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_14	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_14	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_14	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_14	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_14	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_14	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_14	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_14	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_14	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_14	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_14	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_14	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_14	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_14	NP(=O)(OC)SC	C10265926
PUBCHEM_14	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_14	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_14	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_14	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_14	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_14	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_14	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_14	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_14	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_14	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_14	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_14	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_14	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_14	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_14	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_14	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_14	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_14	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_14	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_14	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_14	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_14	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_14	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_14	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_14	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_14	CN1CN(C)CSC1=S	C533744
PUBCHEM_14	C(SC#N)SC#N	C6317186
PUBCHEM_14	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_14	S=C=NC	C556616
PUBCHEM_14	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_14	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_14	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_14	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_14	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_14	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_14	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_14	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_14	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_14	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_14	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_14	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_14	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_14	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_14	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_14	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_14	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_14	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_14	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_14	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_14	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_14	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_14	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_14	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_14	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_14	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_14	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_14	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_14	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_14	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_14	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_14	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_14	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_14	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_14	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_14	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_14	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_14	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_14	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_14	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_14	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_14	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_14	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_14	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_14	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_14	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_14	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_14	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_14	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_14	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_14	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_14	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_14	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_14	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_14	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_14	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_14	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_14	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_14	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_14	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_14	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_14	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_14	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_14	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_14	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_14	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_14	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_14	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_14	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_14	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_14	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_14	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_14	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_14	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_14	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_14	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_14	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_14	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_14	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_14	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_14	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_14	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_14	N#CN	C420042
PUBCHEM_14	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_14	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_14	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_14	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_14	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_14	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_14	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_14	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_14	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_14	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_14	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_14	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_14	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_14	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_14	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_14	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_14	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_14	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_14	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_14	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_14	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_14	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_14	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_14	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_14	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_14	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_14	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_14	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_14	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_14	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_14	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_14	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_14	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_14	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_14	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_14	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_14	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_14	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_14	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_14	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_14	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_14	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_14	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_14	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_14	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_14	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_14	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_14	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_14	NC(=O)C=C	C79061
PUBCHEM_14	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_14	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_14	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_14	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_14	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_14	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_14	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_14	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_14	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_14	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_14	O=C1CCCCCN1	C105602
PUBCHEM_14	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_14	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_14	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_14	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_14	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_14	Nc1ccc(cc1)Cl	C106478
PUBCHEM_14	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_14	Nc1cc(ccc1OC)C	C120718
PUBCHEM_14	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_14	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_14	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_14	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_14	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_14	CN(c1ccccc1)C	C121697
PUBCHEM_14	O=C(N(C)C)Cl	C79447
PUBCHEM_14	CN(C=O)C	C68122
PUBCHEM_14	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_14	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_14	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_14	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_14	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_14	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_14	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_14	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_14	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_14	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_14	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_14	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_14	Oc1cccc2cccnc12	C148243
PUBCHEM_14	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_14	O=C(c1ccncc1)NN	C54853
PUBCHEM_14	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_14	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_14	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_14	O=C1N(CCC1)C	C872504
PUBCHEM_14	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_14	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_14	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_14	Cc1cc2cccnc2cc1	C91623
PUBCHEM_14	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_14	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_14	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_14	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_14	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_14	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_14	O=N[O-].[Na+]	C7632000
PUBCHEM_14	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_14	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_14	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_14	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_14	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_14	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_14	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_14	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_14	O=NN(CCCC)CCCC	C924163
PUBCHEM_14	CCN(CC)N=O	C55185
PUBCHEM_14	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_14	O=NN(CCC)CCC	C621647
PUBCHEM_14	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_14	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_14	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_14	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_14	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_14	Nc1cc(ccc1)N	C108452
PUBCHEM_14	C1CNCCN1	C110850
PUBCHEM_14	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_14	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_14	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_14	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_14	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_14	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_14	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_14	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_14	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_14	OCCN(CCO)CCO	C102716
PUBCHEM_14	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_14	C(=O)(N)N	C57136
PUBCHEM_14	NC(=O)OCC	C51796
PUBCHEM_14	O=C1N(C=C)CCC1	C88120
PUBCHEM_14	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_14	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_14	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_14	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_14	n1cccc2c1cccc2	C91225
PUBCHEM_14	CCN(CC)c1ccccc1	C91667
PUBCHEM_14	CCC(=NO)C	C96297
PUBCHEM_14	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_14	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_14	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_14	CCN(CCO)CC	C100378
PUBCHEM_14	CCNc1cc(C)ccc1	C102272
PUBCHEM_14	Nc1ccc(C)cc1	C106490
PUBCHEM_14	OCCNCCO	C111422
PUBCHEM_14	N#CCCCCC#N	C111693
PUBCHEM_14	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_14	OCCN	C141435
PUBCHEM_14	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_14	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_14	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_14	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_14	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_14	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_14	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_14	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_14	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_14	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_14	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_14	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_14	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_14	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_14	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_14	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_14	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_14	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_14	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_14	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_14	Nc1c(OC)cccc1	C90040
PUBCHEM_14	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_14	NC1CCCCC1	C108918
PUBCHEM_14	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_14	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_14	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_14	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_14	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_14	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_14	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_14	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_14	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_14	ON=CC(C)(C)SC	C1646759
PUBCHEM_14	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_14	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_14	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_14	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_14	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_14	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_14	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_14	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_14	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_14	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_14	Nc1cc(C)ccc1N	C496720
PUBCHEM_14	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_14	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_14	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_14	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_14	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_14	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_14	N(c1ccccc1)CC	C103695
PUBCHEM_14	C(=O)(N)NO	C127071
PUBCHEM_14	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_14	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_14	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_14	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_14	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_14	Nc1c(N)cccc1	C95545
PUBCHEM_14	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_14	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_14	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_14	Nc1c(cccc1)C	C95534
PUBCHEM_14	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_14	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_14	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_14	Nc1c(cccc1C)C	C87627
PUBCHEM_14	N#Cc1cnccc1	C100549
PUBCHEM_14	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_14	Nc1cccc(C)c1	C108441
PUBCHEM_14	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_14	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_14	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_14	[nH]1ncnc1	C288880
PUBCHEM_14	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_14	Nc1c(CC)cccc1CC	C579668
PUBCHEM_14	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_14	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_14	Nc1cccc(C)c1N	C2687254
PUBCHEM_14	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_14	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_14	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_14	CCC12N(COC1)COC2	C7747355
PUBCHEM_14	O=C(N)C(=C)C	C79390
PUBCHEM_14	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_14	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_14	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_14	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_14	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_14	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_14	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_14	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_14	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_14	Nn1cnnc1	C584134
PUBCHEM_14	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_14	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_14	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_14	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_14	CCCCCCCCN(C)C	C7378996
PUBCHEM_14	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_14	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_14	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_14	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_14	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_14	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_14	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_14	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_14	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_14	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_14	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_14	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_14	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_14	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_14	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_14	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_14	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_14	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_14	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_14	O=C(C)NC	C79163
PUBCHEM_14	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_14	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_14	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_14	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_14	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_14	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_14	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_14	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_14	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_14	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_14	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_14	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_14	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_14	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_14	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_14	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_14	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_14	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_14	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_14	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_14	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_14	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_14	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_14	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_14	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_14	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_14	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_14	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_14	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_14	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_14	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_14	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_14	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_14	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_14	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_14	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_14	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_14	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_14	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_14	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_14	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_14	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_14	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_14	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_14	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_14	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_14	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_14	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_14	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_14	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_14	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_14	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_14	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_14	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_14	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_14	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_14	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_14	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_14	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_14	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_14	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_14	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_14	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_14	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_14	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_14	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_14	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_14	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_14	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_14	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_14	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_14	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_14	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_14	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_14	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_14	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_14	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_14	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_14	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_14	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_14	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_14	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_14	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_14	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_14	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_14	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_14	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_14	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_14	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_14	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_14	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_14	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_14	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_14	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_14	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_14	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_14	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_14	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_14	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_14	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_14	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_14	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_14	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_14	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_14	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_14	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_14	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_14	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_14	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_14	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_14	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_14	C(=O)N	C75127
PUBCHEM_14	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_14	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_14	N#CC(Br)Br	C3252435
PUBCHEM_14	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_14	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_14	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_14	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_14	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_14	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_14	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_14	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_14	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_14	NCCOCCOCCN	C929599
PUBCHEM_14	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_14	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_14	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_14	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_14	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_14	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_14	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_14	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_14	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_14	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_14	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_14	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_14	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_14	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_14	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_14	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_14	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_14	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_14	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_14	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_14	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_14	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_14	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_14	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_14	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_14	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_14	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_14	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_14	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_14	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_14	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_14	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_14	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_14	S=C(NCCCC)NCCCC	C109466
PUBCHEM_14	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_14	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_14	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_14	NCc1cccc(CN)c1	C1477550
PUBCHEM_14	N(CCN(C)C)(C)C	C110189
PUBCHEM_14	CCN(CC)CC	C121448
PUBCHEM_14	n1cc(C)ccc1	C108996
PUBCHEM_14	NCCN	C107153
PUBCHEM_14	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_14	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_14	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_14	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_14	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_14	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_14	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_14	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_14	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_14	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_14	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_14	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_14	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_14	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_14	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_14	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_14	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_14	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_14	NNc1ccccc1.Cl	C59881
PUBCHEM_14	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_14	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_14	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_14	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_14	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_14	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_14	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_14	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_14	N#Cc1ccccc1	C100470
PUBCHEM_14	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_14	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_14	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_14	Nc1ccc(Br)cc1	C106401
PUBCHEM_14	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_14	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_14	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_14	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_14	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_14	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_14	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_14	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_14	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_14	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_14	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_14	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_14	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_14	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_14	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_14	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_14	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_14	Nc1ccc(OC)cc1	C104949
PUBCHEM_14	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_14	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_14	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_14	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_14	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_14	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_14	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_14	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_14	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_14	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_14	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_14	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_14	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_14	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_14	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_14	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_14	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_14	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_14	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_14	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_14	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_14	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_14	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_14	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_14	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_14	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_14	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_14	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_14	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_14	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_14	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_14	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_14	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_14	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_14	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_14	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_14	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_14	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_14	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_14	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_14	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_14	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_14	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_14	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_14	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_14	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_14	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_14	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_14	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_14	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_14	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_14	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_14	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_14	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_14	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_14	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_14	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_14	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_14	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_14	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_14	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_14	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_14	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_14	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_14	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_14	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_14	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_14	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_14	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_14	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_14	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_14	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_14	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_14	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_14	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_14	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_14	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_14	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_14	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_14	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_14	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_14	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_14	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_14	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_14	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_14	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_14	O=CN1CCCCC1	C2591868
PUBCHEM_14	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_14	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_14	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_14	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_14	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_14	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_14	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_14	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_14	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_14	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_14	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_14	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_14	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_14	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_14	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_14	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_14	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_14	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_14	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_14	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_14	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_14	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_14	NCCCOCCCCCCCC	C15930662
PUBCHEM_14	Nc1cccc(C)n1	C1824813
PUBCHEM_14	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_14	CC1COc2ccccc2N1	C32329207
PUBCHEM_14	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_14	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_14	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_14	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_14	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_14	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_14	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_14	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_14	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_14	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_14	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_14	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_14	S=C=NCCCSC	C505793
PUBCHEM_14	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_14	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_14	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_14	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_14	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_14	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_14	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_14	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_14	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_14	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_15	CC(=O)N	C60355
PUBCHEM_15	C=CC#N	C107131
PUBCHEM_15	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_15	C=CCN=C=S	C57067
PUBCHEM_15	c1(nc[nH]n1)N	C61825
PUBCHEM_15	Nc1ccccc1.Cl	C142041
PUBCHEM_15	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_15	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_15	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_15	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_15	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_15	CC(CNCC(C)O)O	C110974
PUBCHEM_15	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_15	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_15	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_15	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_15	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_15	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_15	NC(=N)NC#N	C461585
PUBCHEM_15	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_15	S=C(NCC)NCC	C105555
PUBCHEM_15	CN(C)C(=O)C	C127195
PUBCHEM_15	CN(CCO)C	C108010
PUBCHEM_15	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_15	CN(C)N	C57147
PUBCHEM_15	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_15	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_15	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_15	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_15	c1cccc2[nH]ccc12	C120729
PUBCHEM_15	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_15	NC(=O)OC	C598550
PUBCHEM_15	NC(=O)c1cccnc1	C98920
PUBCHEM_15	OC(=O)c1cccnc1	C59676
PUBCHEM_15	O=[N+](CC)[O-]	C79243
PUBCHEM_15	CN(C(=O)N)N=O	C684935
PUBCHEM_15	CN(N=O)C	C62759
PUBCHEM_15	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_15	O=NN1CCCC1	C930552
PUBCHEM_15	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_15	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_15	Nc1ccc(cc1)N	C106503
PUBCHEM_15	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_15	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_15	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_15	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_15	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_15	NC(=S)N	C62566
PUBCHEM_15	Nc1ccccc1C.Cl	C636215
PUBCHEM_15	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_15	OC(C)CN	C78966
PUBCHEM_15	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_15	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_15	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_15	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_15	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_15	ON=C1CCCCC1	C100641
PUBCHEM_15	OCCN1CCNCC1	C103764
PUBCHEM_15	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_15	N#CCC#N	C109773
PUBCHEM_15	CCNCCO	C110736
PUBCHEM_15	CCCCCCCCCCCCN	C124221
PUBCHEM_15	NCCN1CCNCC1	C140318
PUBCHEM_15	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_15	CCCCCCCCCCN	C2016571
PUBCHEM_15	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_15	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_15	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_15	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_15	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_15	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_15	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_15	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_15	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_15	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_15	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_15	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_15	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_15	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_15	NC(CO)(CO)CO	C77861
PUBCHEM_15	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_15	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_15	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_15	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_15	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_15	CNC	C124403
PUBCHEM_15	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_15	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_15	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_15	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_15	CC(=C)C#N	C126987
PUBCHEM_15	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_15	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_15	O=C(N)N=NC(=O)N	C123773
PUBCHEM_15	c1ccc2ncsc2c1	C95169
PUBCHEM_15	ON=CCCC	C110690
PUBCHEM_15	C(C)(C)(C)N	C75649
PUBCHEM_15	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_15	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_15	C(CCN)CCCN	C124094
PUBCHEM_15	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_15	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_15	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_15	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_15	N(CCN)CCN	C111400
PUBCHEM_15	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_15	N(CCCN)(C)C	C109557
PUBCHEM_15	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_15	OCNC(=O)NCO	C140954
PUBCHEM_15	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_15	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_15	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_15	C(C)(C)(O)C#N	C75865
PUBCHEM_15	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_15	N#CC(CCC#N)C	C4553622
PUBCHEM_15	C1COCCN1	C110918
PUBCHEM_15	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_15	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_15	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_15	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_15	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_15	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_15	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_15	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_15	N(C)(C)C	C75503
PUBCHEM_15	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_15	N#CC(C)C	C78820
PUBCHEM_15	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_15	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_15	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_15	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_15	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_15	N1CCCCCC1	C111499
PUBCHEM_15	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_15	OCC(N)(C)C	C124685
PUBCHEM_15	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_15	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_15	O=C1NCCC1	C616455
PUBCHEM_15	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_15	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_15	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_15	Nc1cccc(C)c1C	C1300738
PUBCHEM_15	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_15	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_15	NNC(=S)NN	C2231574
PUBCHEM_15	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_15	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_15	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_15	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_15	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_15	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_15	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_15	Nc1c(C)cccc1CC	C24549062
PUBCHEM_15	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_15	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_15	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_15	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_15	CN1CCOCC1	C109024
PUBCHEM_15	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_15	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_15	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_15	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_15	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_15	n1c[nH]cc1	C288324
PUBCHEM_15	N#C[S-].[NH4+]	C1762954
PUBCHEM_15	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_15	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_15	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_15	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_15	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_15	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_15	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_15	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_15	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_15	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_15	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_15	OCn1nc(C)cc1C	C85264331
PUBCHEM_15	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_15	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_15	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_15	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_15	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_15	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_15	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_15	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_15	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_15	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_15	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_15	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_15	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_15	O=S(=O)(N)O	C5329146
PUBCHEM_15	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_15	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_15	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_15	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_15	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_15	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_15	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_15	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_15	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_15	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_15	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_15	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_15	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_15	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_15	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_15	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_15	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_15	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_15	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_15	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_15	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_15	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_15	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_15	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_15	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_15	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_15	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_15	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_15	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_15	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_15	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_15	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_15	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_15	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_15	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_15	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_15	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_15	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_15	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_15	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_15	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_15	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_15	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_15	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_15	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_15	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_15	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_15	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_15	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_15	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_15	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_15	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_15	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_15	Oc1ccccc1CN(C)C	C120650
PUBCHEM_15	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_15	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_15	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_15	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_15	NCCCN1CCOCC1	C123002
PUBCHEM_15	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_15	N#Cc1c(O)cccc1	C611201
PUBCHEM_15	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_15	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_15	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_15	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_15	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_15	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_15	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_15	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_15	OCCN(CC)CCO	C139877
PUBCHEM_15	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_15	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_15	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_15	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_15	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_15	S=C(NC)NC	C534134
PUBCHEM_15	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_15	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_15	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_15	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_15	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_15	O=C(N)Nc1ccccc1	C64108
PUBCHEM_15	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_15	NNC(=S)NC	C6610293
PUBCHEM_15	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_15	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_15	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_15	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_15	NCCN.I.I	C5700492
PUBCHEM_15	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_15	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_15	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_15	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_15	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_15	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_15	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_15	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_15	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_15	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_15	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_15	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_15	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_15	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_15	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_15	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_15	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_15	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_15	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_15	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_15	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_15	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_15	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_15	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_15	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_15	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_15	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_15	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_15	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_15	S=C1NCCN1	C96457
PUBCHEM_15	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_15	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_15	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_15	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_15	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_15	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_15	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_15	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_15	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_15	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_15	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_15	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_15	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_15	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_15	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_15	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_15	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_15	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_15	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_15	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_15	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_15	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_15	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_15	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_15	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_15	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_15	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_15	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_15	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_15	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_15	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_15	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_15	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_15	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_15	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_15	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_15	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_15	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_15	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_15	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_15	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_15	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_15	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_15	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_15	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_15	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_15	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_15	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_15	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_15	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_15	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_15	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_15	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_15	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_15	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_15	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_15	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_15	NP(=O)(OC)SC	C10265926
PUBCHEM_15	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_15	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_15	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_15	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_15	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_15	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_15	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_15	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_15	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_15	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_15	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_15	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_15	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_15	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_15	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_15	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_15	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_15	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_15	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_15	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_15	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_15	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_15	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_15	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_15	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_15	CN1CN(C)CSC1=S	C533744
PUBCHEM_15	C(SC#N)SC#N	C6317186
PUBCHEM_15	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_15	S=C=NC	C556616
PUBCHEM_15	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_15	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_15	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_15	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_15	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_15	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_15	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_15	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_15	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_15	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_15	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_15	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_15	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_15	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_15	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_15	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_15	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_15	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_15	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_15	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_15	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_15	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_15	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_15	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_15	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_15	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_15	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_15	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_15	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_15	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_15	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_15	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_15	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_15	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_15	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_15	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_15	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_15	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_15	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_15	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_15	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_15	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_15	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_15	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_15	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_15	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_15	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_15	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_15	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_15	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_15	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_15	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_15	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_15	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_15	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_15	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_15	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_15	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_15	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_15	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_15	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_15	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_15	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_15	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_15	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_15	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_15	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_15	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_15	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_15	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_15	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_15	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_15	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_15	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_15	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_15	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_15	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_15	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_15	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_15	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_15	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_15	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_15	N#CN	C420042
PUBCHEM_15	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_15	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_15	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_15	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_15	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_15	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_15	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_15	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_15	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_15	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_15	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_15	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_15	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_15	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_15	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_15	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_15	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_15	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_15	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_15	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_15	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_15	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_15	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_15	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_15	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_15	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_15	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_15	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_15	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_15	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_15	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_15	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_15	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_15	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_15	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_15	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_15	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_15	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_15	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_15	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_15	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_15	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_15	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_15	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_15	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_15	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_15	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_15	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_15	NC(=O)C=C	C79061
PUBCHEM_15	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_15	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_15	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_15	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_15	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_15	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_15	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_15	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_15	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_15	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_15	O=C1CCCCCN1	C105602
PUBCHEM_15	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_15	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_15	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_15	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_15	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_15	Nc1ccc(cc1)Cl	C106478
PUBCHEM_15	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_15	Nc1cc(ccc1OC)C	C120718
PUBCHEM_15	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_15	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_15	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_15	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_15	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_15	CN(c1ccccc1)C	C121697
PUBCHEM_15	O=C(N(C)C)Cl	C79447
PUBCHEM_15	CN(C=O)C	C68122
PUBCHEM_15	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_15	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_15	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_15	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_15	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_15	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_15	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_15	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_15	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_15	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_15	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_15	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_15	Oc1cccc2cccnc12	C148243
PUBCHEM_15	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_15	O=C(c1ccncc1)NN	C54853
PUBCHEM_15	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_15	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_15	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_15	O=C1N(CCC1)C	C872504
PUBCHEM_15	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_15	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_15	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_15	Cc1cc2cccnc2cc1	C91623
PUBCHEM_15	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_15	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_15	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_15	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_15	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_15	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_15	O=N[O-].[Na+]	C7632000
PUBCHEM_15	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_15	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_15	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_15	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_15	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_15	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_15	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_15	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_15	O=NN(CCCC)CCCC	C924163
PUBCHEM_15	CCN(CC)N=O	C55185
PUBCHEM_15	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_15	O=NN(CCC)CCC	C621647
PUBCHEM_15	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_15	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_15	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_15	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_15	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_15	Nc1cc(ccc1)N	C108452
PUBCHEM_15	C1CNCCN1	C110850
PUBCHEM_15	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_15	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_15	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_15	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_15	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_15	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_15	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_15	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_15	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_15	OCCN(CCO)CCO	C102716
PUBCHEM_15	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_15	C(=O)(N)N	C57136
PUBCHEM_15	NC(=O)OCC	C51796
PUBCHEM_15	O=C1N(C=C)CCC1	C88120
PUBCHEM_15	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_15	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_15	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_15	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_15	n1cccc2c1cccc2	C91225
PUBCHEM_15	CCN(CC)c1ccccc1	C91667
PUBCHEM_15	CCC(=NO)C	C96297
PUBCHEM_15	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_15	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_15	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_15	CCN(CCO)CC	C100378
PUBCHEM_15	CCNc1cc(C)ccc1	C102272
PUBCHEM_15	Nc1ccc(C)cc1	C106490
PUBCHEM_15	OCCNCCO	C111422
PUBCHEM_15	N#CCCCCC#N	C111693
PUBCHEM_15	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_15	OCCN	C141435
PUBCHEM_15	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_15	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_15	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_15	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_15	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_15	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_15	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_15	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_15	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_15	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_15	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_15	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_15	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_15	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_15	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_15	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_15	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_15	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_15	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_15	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_15	Nc1c(OC)cccc1	C90040
PUBCHEM_15	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_15	NC1CCCCC1	C108918
PUBCHEM_15	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_15	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_15	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_15	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_15	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_15	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_15	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_15	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_15	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_15	ON=CC(C)(C)SC	C1646759
PUBCHEM_15	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_15	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_15	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_15	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_15	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_15	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_15	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_15	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_15	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_15	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_15	Nc1cc(C)ccc1N	C496720
PUBCHEM_15	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_15	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_15	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_15	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_15	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_15	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_15	N(c1ccccc1)CC	C103695
PUBCHEM_15	C(=O)(N)NO	C127071
PUBCHEM_15	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_15	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_15	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_15	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_15	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_15	Nc1c(N)cccc1	C95545
PUBCHEM_15	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_15	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_15	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_15	Nc1c(cccc1)C	C95534
PUBCHEM_15	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_15	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_15	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_15	Nc1c(cccc1C)C	C87627
PUBCHEM_15	N#Cc1cnccc1	C100549
PUBCHEM_15	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_15	Nc1cccc(C)c1	C108441
PUBCHEM_15	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_15	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_15	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_15	[nH]1ncnc1	C288880
PUBCHEM_15	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_15	Nc1c(CC)cccc1CC	C579668
PUBCHEM_15	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_15	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_15	Nc1cccc(C)c1N	C2687254
PUBCHEM_15	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_15	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_15	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_15	CCC12N(COC1)COC2	C7747355
PUBCHEM_15	O=C(N)C(=C)C	C79390
PUBCHEM_15	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_15	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_15	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_15	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_15	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_15	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_15	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_15	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_15	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_15	Nn1cnnc1	C584134
PUBCHEM_15	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_15	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_15	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_15	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_15	CCCCCCCCN(C)C	C7378996
PUBCHEM_15	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_15	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_15	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_15	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_15	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_15	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_15	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_15	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_15	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_15	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_15	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_15	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_15	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_15	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_15	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_15	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_15	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_15	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_15	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_15	O=C(C)NC	C79163
PUBCHEM_15	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_15	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_15	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_15	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_15	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_15	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_15	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_15	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_15	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_15	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_15	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_15	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_15	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_15	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_15	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_15	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_15	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_15	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_15	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_15	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_15	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_15	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_15	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_15	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_15	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_15	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_15	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_15	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_15	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_15	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_15	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_15	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_15	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_15	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_15	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_15	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_15	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_15	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_15	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_15	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_15	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_15	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_15	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_15	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_15	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_15	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_15	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_15	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_15	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_15	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_15	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_15	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_15	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_15	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_15	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_15	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_15	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_15	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_15	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_15	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_15	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_15	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_15	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_15	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_15	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_15	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_15	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_15	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_15	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_15	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_15	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_15	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_15	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_15	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_15	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_15	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_15	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_15	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_15	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_15	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_15	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_15	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_15	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_15	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_15	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_15	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_15	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_15	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_15	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_15	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_15	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_15	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_15	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_15	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_15	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_15	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_15	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_15	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_15	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_15	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_15	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_15	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_15	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_15	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_15	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_15	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_15	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_15	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_15	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_15	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_15	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_15	C(=O)N	C75127
PUBCHEM_15	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_15	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_15	N#CC(Br)Br	C3252435
PUBCHEM_15	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_15	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_15	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_15	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_15	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_15	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_15	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_15	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_15	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_15	NCCOCCOCCN	C929599
PUBCHEM_15	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_15	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_15	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_15	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_15	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_15	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_15	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_15	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_15	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_15	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_15	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_15	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_15	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_15	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_15	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_15	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_15	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_15	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_15	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_15	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_15	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_15	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_15	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_15	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_15	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_15	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_15	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_15	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_15	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_15	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_15	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_15	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_15	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_15	S=C(NCCCC)NCCCC	C109466
PUBCHEM_15	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_15	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_15	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_15	NCc1cccc(CN)c1	C1477550
PUBCHEM_15	N(CCN(C)C)(C)C	C110189
PUBCHEM_15	CCN(CC)CC	C121448
PUBCHEM_15	n1cc(C)ccc1	C108996
PUBCHEM_15	NCCN	C107153
PUBCHEM_15	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_15	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_15	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_15	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_15	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_15	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_15	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_15	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_15	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_15	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_15	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_15	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_15	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_15	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_15	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_15	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_15	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_15	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_15	NNc1ccccc1.Cl	C59881
PUBCHEM_15	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_15	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_15	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_15	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_15	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_15	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_15	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_15	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_15	N#Cc1ccccc1	C100470
PUBCHEM_15	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_15	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_15	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_15	Nc1ccc(Br)cc1	C106401
PUBCHEM_15	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_15	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_15	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_15	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_15	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_15	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_15	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_15	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_15	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_15	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_15	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_15	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_15	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_15	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_15	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_15	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_15	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_15	Nc1ccc(OC)cc1	C104949
PUBCHEM_15	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_15	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_15	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_15	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_15	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_15	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_15	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_15	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_15	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_15	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_15	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_15	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_15	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_15	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_15	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_15	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_15	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_15	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_15	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_15	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_15	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_15	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_15	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_15	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_15	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_15	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_15	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_15	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_15	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_15	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_15	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_15	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_15	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_15	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_15	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_15	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_15	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_15	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_15	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_15	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_15	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_15	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_15	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_15	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_15	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_15	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_15	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_15	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_15	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_15	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_15	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_15	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_15	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_15	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_15	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_15	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_15	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_15	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_15	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_15	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_15	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_15	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_15	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_15	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_15	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_15	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_15	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_15	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_15	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_15	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_15	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_15	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_15	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_15	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_15	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_15	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_15	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_15	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_15	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_15	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_15	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_15	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_15	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_15	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_15	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_15	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_15	O=CN1CCCCC1	C2591868
PUBCHEM_15	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_15	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_15	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_15	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_15	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_15	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_15	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_15	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_15	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_15	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_15	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_15	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_15	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_15	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_15	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_15	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_15	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_15	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_15	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_15	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_15	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_15	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_15	NCCCOCCCCCCCC	C15930662
PUBCHEM_15	Nc1cccc(C)n1	C1824813
PUBCHEM_15	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_15	CC1COc2ccccc2N1	C32329207
PUBCHEM_15	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_15	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_15	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_15	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_15	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_15	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_15	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_15	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_15	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_15	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_15	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_15	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_15	S=C=NCCCSC	C505793
PUBCHEM_15	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_15	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_15	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_15	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_15	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_15	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_15	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_15	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_15	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_15	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_16	CC(=O)N	C60355
PUBCHEM_16	C=CC#N	C107131
PUBCHEM_16	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_16	C=CCN=C=S	C57067
PUBCHEM_16	c1(nc[nH]n1)N	C61825
PUBCHEM_16	Nc1ccccc1.Cl	C142041
PUBCHEM_16	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_16	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_16	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_16	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_16	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_16	CC(CNCC(C)O)O	C110974
PUBCHEM_16	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_16	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_16	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_16	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_16	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_16	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_16	NC(=N)NC#N	C461585
PUBCHEM_16	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_16	S=C(NCC)NCC	C105555
PUBCHEM_16	CN(C)C(=O)C	C127195
PUBCHEM_16	CN(CCO)C	C108010
PUBCHEM_16	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_16	CN(C)N	C57147
PUBCHEM_16	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_16	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_16	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_16	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_16	c1cccc2[nH]ccc12	C120729
PUBCHEM_16	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_16	NC(=O)OC	C598550
PUBCHEM_16	NC(=O)c1cccnc1	C98920
PUBCHEM_16	OC(=O)c1cccnc1	C59676
PUBCHEM_16	O=[N+](CC)[O-]	C79243
PUBCHEM_16	CN(C(=O)N)N=O	C684935
PUBCHEM_16	CN(N=O)C	C62759
PUBCHEM_16	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_16	O=NN1CCCC1	C930552
PUBCHEM_16	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_16	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_16	Nc1ccc(cc1)N	C106503
PUBCHEM_16	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_16	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_16	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_16	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_16	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_16	NC(=S)N	C62566
PUBCHEM_16	Nc1ccccc1C.Cl	C636215
PUBCHEM_16	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_16	OC(C)CN	C78966
PUBCHEM_16	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_16	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_16	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_16	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_16	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_16	ON=C1CCCCC1	C100641
PUBCHEM_16	OCCN1CCNCC1	C103764
PUBCHEM_16	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_16	N#CCC#N	C109773
PUBCHEM_16	CCNCCO	C110736
PUBCHEM_16	CCCCCCCCCCCCN	C124221
PUBCHEM_16	NCCN1CCNCC1	C140318
PUBCHEM_16	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_16	CCCCCCCCCCN	C2016571
PUBCHEM_16	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_16	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_16	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_16	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_16	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_16	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_16	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_16	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_16	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_16	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_16	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_16	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_16	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_16	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_16	NC(CO)(CO)CO	C77861
PUBCHEM_16	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_16	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_16	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_16	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_16	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_16	CNC	C124403
PUBCHEM_16	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_16	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_16	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_16	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_16	CC(=C)C#N	C126987
PUBCHEM_16	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_16	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_16	O=C(N)N=NC(=O)N	C123773
PUBCHEM_16	c1ccc2ncsc2c1	C95169
PUBCHEM_16	ON=CCCC	C110690
PUBCHEM_16	C(C)(C)(C)N	C75649
PUBCHEM_16	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_16	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_16	C(CCN)CCCN	C124094
PUBCHEM_16	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_16	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_16	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_16	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_16	N(CCN)CCN	C111400
PUBCHEM_16	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_16	N(CCCN)(C)C	C109557
PUBCHEM_16	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_16	OCNC(=O)NCO	C140954
PUBCHEM_16	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_16	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_16	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_16	C(C)(C)(O)C#N	C75865
PUBCHEM_16	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_16	N#CC(CCC#N)C	C4553622
PUBCHEM_16	C1COCCN1	C110918
PUBCHEM_16	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_16	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_16	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_16	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_16	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_16	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_16	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_16	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_16	N(C)(C)C	C75503
PUBCHEM_16	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_16	N#CC(C)C	C78820
PUBCHEM_16	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_16	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_16	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_16	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_16	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_16	N1CCCCCC1	C111499
PUBCHEM_16	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_16	OCC(N)(C)C	C124685
PUBCHEM_16	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_16	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_16	O=C1NCCC1	C616455
PUBCHEM_16	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_16	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_16	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_16	Nc1cccc(C)c1C	C1300738
PUBCHEM_16	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_16	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_16	NNC(=S)NN	C2231574
PUBCHEM_16	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_16	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_16	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_16	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_16	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_16	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_16	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_16	Nc1c(C)cccc1CC	C24549062
PUBCHEM_16	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_16	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_16	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_16	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_16	CN1CCOCC1	C109024
PUBCHEM_16	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_16	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_16	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_16	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_16	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_16	n1c[nH]cc1	C288324
PUBCHEM_16	N#C[S-].[NH4+]	C1762954
PUBCHEM_16	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_16	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_16	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_16	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_16	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_16	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_16	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_16	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_16	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_16	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_16	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_16	OCn1nc(C)cc1C	C85264331
PUBCHEM_16	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_16	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_16	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_16	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_16	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_16	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_16	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_16	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_16	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_16	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_16	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_16	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_16	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_16	O=S(=O)(N)O	C5329146
PUBCHEM_16	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_16	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_16	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_16	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_16	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_16	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_16	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_16	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_16	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_16	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_16	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_16	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_16	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_16	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_16	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_16	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_16	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_16	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_16	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_16	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_16	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_16	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_16	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_16	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_16	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_16	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_16	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_16	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_16	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_16	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_16	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_16	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_16	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_16	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_16	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_16	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_16	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_16	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_16	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_16	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_16	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_16	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_16	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_16	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_16	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_16	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_16	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_16	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_16	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_16	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_16	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_16	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_16	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_16	Oc1ccccc1CN(C)C	C120650
PUBCHEM_16	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_16	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_16	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_16	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_16	NCCCN1CCOCC1	C123002
PUBCHEM_16	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_16	N#Cc1c(O)cccc1	C611201
PUBCHEM_16	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_16	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_16	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_16	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_16	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_16	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_16	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_16	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_16	OCCN(CC)CCO	C139877
PUBCHEM_16	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_16	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_16	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_16	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_16	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_16	S=C(NC)NC	C534134
PUBCHEM_16	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_16	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_16	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_16	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_16	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_16	O=C(N)Nc1ccccc1	C64108
PUBCHEM_16	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_16	NNC(=S)NC	C6610293
PUBCHEM_16	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_16	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_16	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_16	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_16	NCCN.I.I	C5700492
PUBCHEM_16	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_16	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_16	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_16	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_16	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_16	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_16	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_16	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_16	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_16	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_16	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_16	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_16	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_16	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_16	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_16	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_16	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_16	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_16	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_16	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_16	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_16	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_16	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_16	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_16	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_16	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_16	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_16	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_16	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_16	S=C1NCCN1	C96457
PUBCHEM_16	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_16	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_16	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_16	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_16	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_16	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_16	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_16	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_16	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_16	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_16	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_16	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_16	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_16	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_16	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_16	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_16	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_16	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_16	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_16	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_16	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_16	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_16	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_16	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_16	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_16	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_16	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_16	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_16	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_16	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_16	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_16	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_16	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_16	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_16	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_16	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_16	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_16	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_16	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_16	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_16	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_16	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_16	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_16	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_16	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_16	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_16	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_16	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_16	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_16	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_16	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_16	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_16	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_16	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_16	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_16	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_16	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_16	NP(=O)(OC)SC	C10265926
PUBCHEM_16	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_16	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_16	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_16	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_16	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_16	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_16	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_16	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_16	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_16	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_16	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_16	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_16	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_16	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_16	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_16	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_16	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_16	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_16	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_16	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_16	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_16	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_16	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_16	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_16	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_16	CN1CN(C)CSC1=S	C533744
PUBCHEM_16	C(SC#N)SC#N	C6317186
PUBCHEM_16	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_16	S=C=NC	C556616
PUBCHEM_16	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_16	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_16	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_16	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_16	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_16	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_16	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_16	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_16	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_16	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_16	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_16	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_16	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_16	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_16	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_16	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_16	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_16	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_16	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_16	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_16	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_16	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_16	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_16	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_16	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_16	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_16	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_16	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_16	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_16	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_16	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_16	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_16	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_16	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_16	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_16	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_16	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_16	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_16	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_16	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_16	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_16	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_16	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_16	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_16	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_16	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_16	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_16	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_16	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_16	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_16	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_16	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_16	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_16	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_16	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_16	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_16	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_16	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_16	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_16	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_16	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_16	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_16	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_16	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_16	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_16	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_16	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_16	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_16	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_16	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_16	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_16	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_16	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_16	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_16	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_16	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_16	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_16	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_16	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_16	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_16	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_16	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_16	N#CN	C420042
PUBCHEM_16	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_16	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_16	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_16	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_16	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_16	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_16	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_16	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_16	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_16	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_16	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_16	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_16	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_16	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_16	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_16	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_16	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_16	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_16	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_16	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_16	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_16	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_16	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_16	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_16	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_16	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_16	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_16	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_16	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_16	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_16	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_16	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_16	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_16	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_16	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_16	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_16	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_16	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_16	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_16	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_16	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_16	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_16	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_16	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_16	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_16	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_16	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_16	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_16	NC(=O)C=C	C79061
PUBCHEM_16	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_16	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_16	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_16	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_16	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_16	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_16	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_16	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_16	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_16	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_16	O=C1CCCCCN1	C105602
PUBCHEM_16	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_16	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_16	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_16	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_16	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_16	Nc1ccc(cc1)Cl	C106478
PUBCHEM_16	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_16	Nc1cc(ccc1OC)C	C120718
PUBCHEM_16	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_16	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_16	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_16	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_16	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_16	CN(c1ccccc1)C	C121697
PUBCHEM_16	O=C(N(C)C)Cl	C79447
PUBCHEM_16	CN(C=O)C	C68122
PUBCHEM_16	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_16	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_16	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_16	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_16	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_16	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_16	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_16	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_16	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_16	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_16	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_16	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_16	Oc1cccc2cccnc12	C148243
PUBCHEM_16	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_16	O=C(c1ccncc1)NN	C54853
PUBCHEM_16	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_16	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_16	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_16	O=C1N(CCC1)C	C872504
PUBCHEM_16	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_16	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_16	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_16	Cc1cc2cccnc2cc1	C91623
PUBCHEM_16	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_16	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_16	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_16	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_16	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_16	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_16	O=N[O-].[Na+]	C7632000
PUBCHEM_16	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_16	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_16	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_16	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_16	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_16	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_16	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_16	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_16	O=NN(CCCC)CCCC	C924163
PUBCHEM_16	CCN(CC)N=O	C55185
PUBCHEM_16	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_16	O=NN(CCC)CCC	C621647
PUBCHEM_16	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_16	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_16	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_16	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_16	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_16	Nc1cc(ccc1)N	C108452
PUBCHEM_16	C1CNCCN1	C110850
PUBCHEM_16	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_16	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_16	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_16	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_16	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_16	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_16	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_16	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_16	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_16	OCCN(CCO)CCO	C102716
PUBCHEM_16	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_16	C(=O)(N)N	C57136
PUBCHEM_16	NC(=O)OCC	C51796
PUBCHEM_16	O=C1N(C=C)CCC1	C88120
PUBCHEM_16	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_16	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_16	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_16	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_16	n1cccc2c1cccc2	C91225
PUBCHEM_16	CCN(CC)c1ccccc1	C91667
PUBCHEM_16	CCC(=NO)C	C96297
PUBCHEM_16	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_16	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_16	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_16	CCN(CCO)CC	C100378
PUBCHEM_16	CCNc1cc(C)ccc1	C102272
PUBCHEM_16	Nc1ccc(C)cc1	C106490
PUBCHEM_16	OCCNCCO	C111422
PUBCHEM_16	N#CCCCCC#N	C111693
PUBCHEM_16	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_16	OCCN	C141435
PUBCHEM_16	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_16	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_16	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_16	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_16	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_16	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_16	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_16	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_16	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_16	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_16	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_16	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_16	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_16	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_16	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_16	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_16	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_16	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_16	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_16	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_16	Nc1c(OC)cccc1	C90040
PUBCHEM_16	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_16	NC1CCCCC1	C108918
PUBCHEM_16	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_16	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_16	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_16	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_16	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_16	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_16	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_16	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_16	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_16	ON=CC(C)(C)SC	C1646759
PUBCHEM_16	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_16	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_16	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_16	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_16	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_16	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_16	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_16	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_16	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_16	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_16	Nc1cc(C)ccc1N	C496720
PUBCHEM_16	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_16	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_16	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_16	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_16	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_16	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_16	N(c1ccccc1)CC	C103695
PUBCHEM_16	C(=O)(N)NO	C127071
PUBCHEM_16	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_16	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_16	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_16	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_16	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_16	Nc1c(N)cccc1	C95545
PUBCHEM_16	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_16	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_16	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_16	Nc1c(cccc1)C	C95534
PUBCHEM_16	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_16	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_16	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_16	Nc1c(cccc1C)C	C87627
PUBCHEM_16	N#Cc1cnccc1	C100549
PUBCHEM_16	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_16	Nc1cccc(C)c1	C108441
PUBCHEM_16	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_16	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_16	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_16	[nH]1ncnc1	C288880
PUBCHEM_16	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_16	Nc1c(CC)cccc1CC	C579668
PUBCHEM_16	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_16	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_16	Nc1cccc(C)c1N	C2687254
PUBCHEM_16	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_16	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_16	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_16	CCC12N(COC1)COC2	C7747355
PUBCHEM_16	O=C(N)C(=C)C	C79390
PUBCHEM_16	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_16	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_16	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_16	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_16	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_16	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_16	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_16	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_16	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_16	Nn1cnnc1	C584134
PUBCHEM_16	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_16	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_16	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_16	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_16	CCCCCCCCN(C)C	C7378996
PUBCHEM_16	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_16	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_16	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_16	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_16	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_16	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_16	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_16	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_16	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_16	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_16	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_16	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_16	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_16	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_16	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_16	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_16	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_16	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_16	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_16	O=C(C)NC	C79163
PUBCHEM_16	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_16	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_16	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_16	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_16	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_16	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_16	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_16	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_16	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_16	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_16	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_16	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_16	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_16	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_16	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_16	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_16	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_16	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_16	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_16	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_16	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_16	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_16	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_16	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_16	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_16	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_16	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_16	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_16	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_16	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_16	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_16	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_16	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_16	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_16	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_16	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_16	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_16	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_16	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_16	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_16	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_16	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_16	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_16	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_16	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_16	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_16	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_16	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_16	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_16	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_16	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_16	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_16	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_16	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_16	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_16	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_16	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_16	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_16	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_16	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_16	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_16	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_16	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_16	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_16	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_16	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_16	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_16	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_16	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_16	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_16	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_16	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_16	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_16	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_16	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_16	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_16	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_16	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_16	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_16	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_16	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_16	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_16	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_16	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_16	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_16	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_16	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_16	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_16	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_16	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_16	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_16	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_16	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_16	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_16	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_16	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_16	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_16	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_16	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_16	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_16	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_16	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_16	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_16	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_16	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_16	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_16	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_16	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_16	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_16	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_16	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_16	C(=O)N	C75127
PUBCHEM_16	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_16	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_16	N#CC(Br)Br	C3252435
PUBCHEM_16	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_16	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_16	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_16	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_16	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_16	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_16	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_16	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_16	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_16	NCCOCCOCCN	C929599
PUBCHEM_16	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_16	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_16	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_16	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_16	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_16	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_16	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_16	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_16	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_16	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_16	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_16	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_16	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_16	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_16	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_16	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_16	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_16	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_16	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_16	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_16	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_16	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_16	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_16	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_16	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_16	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_16	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_16	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_16	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_16	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_16	S=C(NCCCC)NCCCC	C109466
PUBCHEM_16	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_16	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_16	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_16	NCc1cccc(CN)c1	C1477550
PUBCHEM_16	N(CCN(C)C)(C)C	C110189
PUBCHEM_16	CCN(CC)CC	C121448
PUBCHEM_16	n1cc(C)ccc1	C108996
PUBCHEM_16	NCCN	C107153
PUBCHEM_16	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_16	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_16	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_16	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_16	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_16	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_16	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_16	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_16	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_16	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_16	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_16	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_16	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_16	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_16	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_16	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_16	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_16	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_16	NNc1ccccc1.Cl	C59881
PUBCHEM_16	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_16	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_16	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_16	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_16	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_16	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_16	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_16	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_16	N#Cc1ccccc1	C100470
PUBCHEM_16	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_16	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_16	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_16	Nc1ccc(Br)cc1	C106401
PUBCHEM_16	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_16	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_16	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_16	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_16	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_16	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_16	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_16	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_16	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_16	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_16	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_16	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_16	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_16	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_16	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_16	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_16	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_16	Nc1ccc(OC)cc1	C104949
PUBCHEM_16	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_16	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_16	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_16	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_16	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_16	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_16	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_16	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_16	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_16	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_16	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_16	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_16	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_16	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_16	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_16	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_16	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_16	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_16	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_16	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_16	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_16	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_16	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_16	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_16	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_16	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_16	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_16	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_16	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_16	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_16	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_16	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_16	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_16	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_16	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_16	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_16	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_16	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_16	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_16	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_16	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_16	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_16	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_16	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_16	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_16	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_16	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_16	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_16	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_16	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_16	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_16	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_16	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_16	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_16	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_16	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_16	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_16	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_16	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_16	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_16	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_16	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_16	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_16	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_16	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_16	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_16	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_16	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_16	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_16	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_16	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_16	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_16	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_16	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_16	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_16	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_16	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_16	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_16	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_16	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_16	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_16	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_16	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_16	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_16	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_16	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_16	O=CN1CCCCC1	C2591868
PUBCHEM_16	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_16	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_16	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_16	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_16	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_16	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_16	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_16	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_16	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_16	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_16	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_16	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_16	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_16	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_16	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_16	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_16	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_16	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_16	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_16	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_16	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_16	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_16	NCCCOCCCCCCCC	C15930662
PUBCHEM_16	Nc1cccc(C)n1	C1824813
PUBCHEM_16	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_16	CC1COc2ccccc2N1	C32329207
PUBCHEM_16	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_16	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_16	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_16	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_16	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_16	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_16	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_16	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_16	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_16	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_16	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_16	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_16	S=C=NCCCSC	C505793
PUBCHEM_16	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_16	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_16	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_16	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_16	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_16	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_16	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_16	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_16	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_16	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_17	CC(=O)N	C60355
PUBCHEM_17	C=CC#N	C107131
PUBCHEM_17	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_17	C=CCN=C=S	C57067
PUBCHEM_17	c1(nc[nH]n1)N	C61825
PUBCHEM_17	Nc1ccccc1.Cl	C142041
PUBCHEM_17	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_17	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_17	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_17	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_17	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_17	CC(CNCC(C)O)O	C110974
PUBCHEM_17	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_17	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_17	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_17	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_17	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_17	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_17	NC(=N)NC#N	C461585
PUBCHEM_17	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_17	S=C(NCC)NCC	C105555
PUBCHEM_17	CN(C)C(=O)C	C127195
PUBCHEM_17	CN(CCO)C	C108010
PUBCHEM_17	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_17	CN(C)N	C57147
PUBCHEM_17	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_17	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_17	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_17	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_17	c1cccc2[nH]ccc12	C120729
PUBCHEM_17	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_17	NC(=O)OC	C598550
PUBCHEM_17	NC(=O)c1cccnc1	C98920
PUBCHEM_17	OC(=O)c1cccnc1	C59676
PUBCHEM_17	O=[N+](CC)[O-]	C79243
PUBCHEM_17	CN(C(=O)N)N=O	C684935
PUBCHEM_17	CN(N=O)C	C62759
PUBCHEM_17	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_17	O=NN1CCCC1	C930552
PUBCHEM_17	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_17	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_17	Nc1ccc(cc1)N	C106503
PUBCHEM_17	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_17	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_17	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_17	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_17	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_17	NC(=S)N	C62566
PUBCHEM_17	Nc1ccccc1C.Cl	C636215
PUBCHEM_17	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_17	OC(C)CN	C78966
PUBCHEM_17	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_17	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_17	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_17	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_17	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_17	ON=C1CCCCC1	C100641
PUBCHEM_17	OCCN1CCNCC1	C103764
PUBCHEM_17	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_17	N#CCC#N	C109773
PUBCHEM_17	CCNCCO	C110736
PUBCHEM_17	CCCCCCCCCCCCN	C124221
PUBCHEM_17	NCCN1CCNCC1	C140318
PUBCHEM_17	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_17	CCCCCCCCCCN	C2016571
PUBCHEM_17	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_17	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_17	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_17	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_17	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_17	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_17	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_17	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_17	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_17	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_17	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_17	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_17	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_17	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_17	NC(CO)(CO)CO	C77861
PUBCHEM_17	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_17	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_17	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_17	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_17	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_17	CNC	C124403
PUBCHEM_17	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_17	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_17	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_17	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_17	CC(=C)C#N	C126987
PUBCHEM_17	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_17	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_17	O=C(N)N=NC(=O)N	C123773
PUBCHEM_17	c1ccc2ncsc2c1	C95169
PUBCHEM_17	ON=CCCC	C110690
PUBCHEM_17	C(C)(C)(C)N	C75649
PUBCHEM_17	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_17	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_17	C(CCN)CCCN	C124094
PUBCHEM_17	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_17	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_17	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_17	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_17	N(CCN)CCN	C111400
PUBCHEM_17	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_17	N(CCCN)(C)C	C109557
PUBCHEM_17	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_17	OCNC(=O)NCO	C140954
PUBCHEM_17	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_17	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_17	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_17	C(C)(C)(O)C#N	C75865
PUBCHEM_17	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_17	N#CC(CCC#N)C	C4553622
PUBCHEM_17	C1COCCN1	C110918
PUBCHEM_17	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_17	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_17	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_17	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_17	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_17	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_17	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_17	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_17	N(C)(C)C	C75503
PUBCHEM_17	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_17	N#CC(C)C	C78820
PUBCHEM_17	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_17	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_17	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_17	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_17	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_17	N1CCCCCC1	C111499
PUBCHEM_17	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_17	OCC(N)(C)C	C124685
PUBCHEM_17	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_17	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_17	O=C1NCCC1	C616455
PUBCHEM_17	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_17	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_17	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_17	Nc1cccc(C)c1C	C1300738
PUBCHEM_17	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_17	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_17	NNC(=S)NN	C2231574
PUBCHEM_17	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_17	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_17	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_17	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_17	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_17	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_17	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_17	Nc1c(C)cccc1CC	C24549062
PUBCHEM_17	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_17	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_17	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_17	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_17	CN1CCOCC1	C109024
PUBCHEM_17	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_17	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_17	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_17	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_17	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_17	n1c[nH]cc1	C288324
PUBCHEM_17	N#C[S-].[NH4+]	C1762954
PUBCHEM_17	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_17	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_17	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_17	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_17	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_17	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_17	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_17	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_17	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_17	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_17	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_17	OCn1nc(C)cc1C	C85264331
PUBCHEM_17	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_17	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_17	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_17	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_17	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_17	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_17	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_17	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_17	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_17	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_17	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_17	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_17	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_17	O=S(=O)(N)O	C5329146
PUBCHEM_17	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_17	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_17	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_17	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_17	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_17	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_17	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_17	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_17	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_17	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_17	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_17	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_17	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_17	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_17	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_17	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_17	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_17	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_17	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_17	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_17	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_17	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_17	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_17	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_17	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_17	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_17	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_17	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_17	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_17	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_17	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_17	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_17	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_17	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_17	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_17	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_17	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_17	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_17	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_17	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_17	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_17	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_17	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_17	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_17	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_17	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_17	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_17	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_17	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_17	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_17	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_17	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_17	Oc1ccccc1CN(C)C	C120650
PUBCHEM_17	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_17	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_17	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_17	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_17	NCCCN1CCOCC1	C123002
PUBCHEM_17	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_17	N#Cc1c(O)cccc1	C611201
PUBCHEM_17	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_17	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_17	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_17	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_17	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_17	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_17	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_17	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_17	OCCN(CC)CCO	C139877
PUBCHEM_17	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_17	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_17	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_17	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_17	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_17	S=C(NC)NC	C534134
PUBCHEM_17	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_17	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_17	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_17	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_17	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_17	O=C(N)Nc1ccccc1	C64108
PUBCHEM_17	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_17	NNC(=S)NC	C6610293
PUBCHEM_17	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_17	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_17	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_17	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_17	NCCN.I.I	C5700492
PUBCHEM_17	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_17	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_17	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_17	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_17	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_17	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_17	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_17	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_17	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_17	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_17	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_17	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_17	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_17	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_17	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_17	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_17	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_17	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_17	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_17	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_17	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_17	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_17	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_17	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_17	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_17	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_17	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_17	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_17	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_17	S=C1NCCN1	C96457
PUBCHEM_17	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_17	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_17	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_17	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_17	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_17	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_17	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_17	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_17	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_17	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_17	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_17	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_17	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_17	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_17	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_17	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_17	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_17	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_17	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_17	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_17	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_17	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_17	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_17	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_17	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_17	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_17	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_17	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_17	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_17	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_17	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_17	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_17	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_17	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_17	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_17	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_17	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_17	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_17	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_17	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_17	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_17	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_17	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_17	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_17	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_17	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_17	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_17	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_17	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_17	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_17	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_17	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_17	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_17	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_17	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_17	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_17	NP(=O)(OC)SC	C10265926
PUBCHEM_17	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_17	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_17	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_17	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_17	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_17	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_17	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_17	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_17	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_17	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_17	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_17	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_17	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_17	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_17	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_17	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_17	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_17	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_17	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_17	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_17	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_17	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_17	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_17	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_17	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_17	CN1CN(C)CSC1=S	C533744
PUBCHEM_17	C(SC#N)SC#N	C6317186
PUBCHEM_17	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_17	S=C=NC	C556616
PUBCHEM_17	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_17	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_17	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_17	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_17	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_17	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_17	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_17	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_17	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_17	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_17	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_17	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_17	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_17	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_17	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_17	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_17	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_17	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_17	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_17	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_17	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_17	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_17	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_17	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_17	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_17	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_17	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_17	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_17	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_17	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_17	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_17	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_17	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_17	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_17	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_17	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_17	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_17	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_17	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_17	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_17	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_17	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_17	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_17	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_17	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_17	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_17	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_17	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_17	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_17	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_17	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_17	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_17	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_17	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_17	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_17	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_17	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_17	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_17	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_17	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_17	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_17	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_17	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_17	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_17	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_17	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_17	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_17	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_17	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_17	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_17	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_17	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_17	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_17	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_17	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_17	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_17	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_17	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_17	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_17	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_17	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_17	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_17	N#CN	C420042
PUBCHEM_17	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_17	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_17	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_17	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_17	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_17	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_17	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_17	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_17	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_17	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_17	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_17	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_17	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_17	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_17	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_17	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_17	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_17	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_17	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_17	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_17	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_17	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_17	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_17	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_17	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_17	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_17	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_17	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_17	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_17	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_17	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_17	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_17	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_17	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_17	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_17	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_17	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_17	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_17	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_17	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_17	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_17	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_17	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_17	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_17	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_17	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_17	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_17	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_17	NC(=O)C=C	C79061
PUBCHEM_17	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_17	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_17	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_17	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_17	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_17	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_17	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_17	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_17	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_17	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_17	O=C1CCCCCN1	C105602
PUBCHEM_17	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_17	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_17	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_17	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_17	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_17	Nc1ccc(cc1)Cl	C106478
PUBCHEM_17	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_17	Nc1cc(ccc1OC)C	C120718
PUBCHEM_17	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_17	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_17	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_17	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_17	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_17	CN(c1ccccc1)C	C121697
PUBCHEM_17	O=C(N(C)C)Cl	C79447
PUBCHEM_17	CN(C=O)C	C68122
PUBCHEM_17	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_17	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_17	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_17	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_17	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_17	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_17	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_17	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_17	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_17	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_17	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_17	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_17	Oc1cccc2cccnc12	C148243
PUBCHEM_17	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_17	O=C(c1ccncc1)NN	C54853
PUBCHEM_17	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_17	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_17	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_17	O=C1N(CCC1)C	C872504
PUBCHEM_17	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_17	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_17	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_17	Cc1cc2cccnc2cc1	C91623
PUBCHEM_17	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_17	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_17	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_17	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_17	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_17	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_17	O=N[O-].[Na+]	C7632000
PUBCHEM_17	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_17	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_17	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_17	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_17	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_17	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_17	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_17	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_17	O=NN(CCCC)CCCC	C924163
PUBCHEM_17	CCN(CC)N=O	C55185
PUBCHEM_17	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_17	O=NN(CCC)CCC	C621647
PUBCHEM_17	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_17	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_17	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_17	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_17	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_17	Nc1cc(ccc1)N	C108452
PUBCHEM_17	C1CNCCN1	C110850
PUBCHEM_17	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_17	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_17	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_17	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_17	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_17	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_17	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_17	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_17	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_17	OCCN(CCO)CCO	C102716
PUBCHEM_17	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_17	C(=O)(N)N	C57136
PUBCHEM_17	NC(=O)OCC	C51796
PUBCHEM_17	O=C1N(C=C)CCC1	C88120
PUBCHEM_17	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_17	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_17	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_17	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_17	n1cccc2c1cccc2	C91225
PUBCHEM_17	CCN(CC)c1ccccc1	C91667
PUBCHEM_17	CCC(=NO)C	C96297
PUBCHEM_17	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_17	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_17	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_17	CCN(CCO)CC	C100378
PUBCHEM_17	CCNc1cc(C)ccc1	C102272
PUBCHEM_17	Nc1ccc(C)cc1	C106490
PUBCHEM_17	OCCNCCO	C111422
PUBCHEM_17	N#CCCCCC#N	C111693
PUBCHEM_17	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_17	OCCN	C141435
PUBCHEM_17	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_17	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_17	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_17	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_17	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_17	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_17	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_17	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_17	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_17	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_17	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_17	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_17	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_17	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_17	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_17	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_17	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_17	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_17	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_17	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_17	Nc1c(OC)cccc1	C90040
PUBCHEM_17	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_17	NC1CCCCC1	C108918
PUBCHEM_17	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_17	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_17	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_17	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_17	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_17	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_17	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_17	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_17	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_17	ON=CC(C)(C)SC	C1646759
PUBCHEM_17	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_17	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_17	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_17	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_17	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_17	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_17	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_17	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_17	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_17	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_17	Nc1cc(C)ccc1N	C496720
PUBCHEM_17	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_17	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_17	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_17	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_17	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_17	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_17	N(c1ccccc1)CC	C103695
PUBCHEM_17	C(=O)(N)NO	C127071
PUBCHEM_17	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_17	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_17	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_17	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_17	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_17	Nc1c(N)cccc1	C95545
PUBCHEM_17	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_17	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_17	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_17	Nc1c(cccc1)C	C95534
PUBCHEM_17	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_17	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_17	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_17	Nc1c(cccc1C)C	C87627
PUBCHEM_17	N#Cc1cnccc1	C100549
PUBCHEM_17	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_17	Nc1cccc(C)c1	C108441
PUBCHEM_17	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_17	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_17	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_17	[nH]1ncnc1	C288880
PUBCHEM_17	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_17	Nc1c(CC)cccc1CC	C579668
PUBCHEM_17	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_17	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_17	Nc1cccc(C)c1N	C2687254
PUBCHEM_17	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_17	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_17	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_17	CCC12N(COC1)COC2	C7747355
PUBCHEM_17	O=C(N)C(=C)C	C79390
PUBCHEM_17	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_17	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_17	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_17	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_17	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_17	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_17	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_17	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_17	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_17	Nn1cnnc1	C584134
PUBCHEM_17	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_17	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_17	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_17	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_17	CCCCCCCCN(C)C	C7378996
PUBCHEM_17	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_17	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_17	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_17	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_17	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_17	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_17	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_17	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_17	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_17	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_17	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_17	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_17	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_17	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_17	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_17	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_17	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_17	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_17	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_17	O=C(C)NC	C79163
PUBCHEM_17	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_17	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_17	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_17	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_17	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_17	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_17	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_17	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_17	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_17	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_17	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_17	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_17	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_17	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_17	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_17	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_17	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_17	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_17	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_17	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_17	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_17	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_17	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_17	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_17	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_17	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_17	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_17	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_17	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_17	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_17	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_17	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_17	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_17	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_17	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_17	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_17	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_17	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_17	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_17	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_17	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_17	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_17	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_17	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_17	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_17	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_17	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_17	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_17	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_17	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_17	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_17	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_17	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_17	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_17	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_17	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_17	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_17	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_17	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_17	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_17	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_17	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_17	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_17	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_17	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_17	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_17	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_17	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_17	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_17	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_17	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_17	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_17	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_17	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_17	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_17	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_17	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_17	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_17	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_17	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_17	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_17	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_17	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_17	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_17	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_17	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_17	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_17	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_17	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_17	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_17	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_17	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_17	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_17	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_17	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_17	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_17	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_17	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_17	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_17	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_17	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_17	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_17	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_17	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_17	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_17	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_17	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_17	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_17	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_17	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_17	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_17	C(=O)N	C75127
PUBCHEM_17	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_17	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_17	N#CC(Br)Br	C3252435
PUBCHEM_17	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_17	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_17	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_17	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_17	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_17	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_17	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_17	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_17	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_17	NCCOCCOCCN	C929599
PUBCHEM_17	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_17	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_17	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_17	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_17	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_17	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_17	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_17	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_17	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_17	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_17	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_17	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_17	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_17	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_17	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_17	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_17	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_17	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_17	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_17	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_17	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_17	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_17	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_17	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_17	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_17	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_17	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_17	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_17	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_17	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_17	S=C(NCCCC)NCCCC	C109466
PUBCHEM_17	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_17	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_17	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_17	NCc1cccc(CN)c1	C1477550
PUBCHEM_17	N(CCN(C)C)(C)C	C110189
PUBCHEM_17	CCN(CC)CC	C121448
PUBCHEM_17	n1cc(C)ccc1	C108996
PUBCHEM_17	NCCN	C107153
PUBCHEM_17	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_17	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_17	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_17	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_17	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_17	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_17	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_17	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_17	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_17	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_17	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_17	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_17	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_17	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_17	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_17	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_17	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_17	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_17	NNc1ccccc1.Cl	C59881
PUBCHEM_17	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_17	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_17	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_17	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_17	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_17	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_17	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_17	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_17	N#Cc1ccccc1	C100470
PUBCHEM_17	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_17	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_17	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_17	Nc1ccc(Br)cc1	C106401
PUBCHEM_17	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_17	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_17	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_17	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_17	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_17	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_17	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_17	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_17	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_17	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_17	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_17	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_17	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_17	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_17	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_17	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_17	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_17	Nc1ccc(OC)cc1	C104949
PUBCHEM_17	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_17	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_17	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_17	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_17	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_17	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_17	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_17	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_17	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_17	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_17	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_17	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_17	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_17	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_17	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_17	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_17	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_17	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_17	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_17	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_17	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_17	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_17	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_17	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_17	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_17	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_17	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_17	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_17	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_17	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_17	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_17	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_17	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_17	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_17	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_17	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_17	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_17	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_17	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_17	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_17	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_17	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_17	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_17	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_17	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_17	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_17	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_17	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_17	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_17	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_17	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_17	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_17	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_17	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_17	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_17	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_17	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_17	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_17	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_17	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_17	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_17	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_17	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_17	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_17	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_17	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_17	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_17	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_17	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_17	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_17	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_17	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_17	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_17	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_17	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_17	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_17	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_17	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_17	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_17	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_17	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_17	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_17	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_17	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_17	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_17	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_17	O=CN1CCCCC1	C2591868
PUBCHEM_17	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_17	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_17	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_17	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_17	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_17	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_17	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_17	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_17	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_17	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_17	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_17	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_17	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_17	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_17	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_17	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_17	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_17	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_17	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_17	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_17	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_17	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_17	NCCCOCCCCCCCC	C15930662
PUBCHEM_17	Nc1cccc(C)n1	C1824813
PUBCHEM_17	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_17	CC1COc2ccccc2N1	C32329207
PUBCHEM_17	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_17	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_17	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_17	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_17	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_17	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_17	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_17	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_17	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_17	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_17	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_17	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_17	S=C=NCCCSC	C505793
PUBCHEM_17	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_17	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_17	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_17	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_17	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_17	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_17	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_17	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_17	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_17	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_18	CC(=O)N	C60355
PUBCHEM_18	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_18	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_18	C=CCO	C107186
PUBCHEM_18	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_18	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_18	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_18	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_18	CC(=O)OCc1ccccc1	C140114
PUBCHEM_18	CC(CNCC(C)O)O	C110974
PUBCHEM_18	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_18	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_18	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_18	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_18	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_18	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_18	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_18	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_18	O=CCCl	C107200
PUBCHEM_18	ClCOC	C107302
PUBCHEM_18	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_18	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_18	O=C1CCCCC1	C108941
PUBCHEM_18	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_18	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_18	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_18	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_18	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_18	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_18	CN(C)C(=O)C	C127195
PUBCHEM_18	CN(CCO)C	C108010
PUBCHEM_18	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_18	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_18	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_18	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_18	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_18	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_18	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_18	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_18	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_18	OC(CO)CCl	C96242
PUBCHEM_18	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_18	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_18	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_18	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_18	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_18	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_18	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_18	COc1ccc(cc1)O	C150765
PUBCHEM_18	NC(=O)OC	C598550
PUBCHEM_18	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_18	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_18	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_18	NC(=O)c1cccnc1	C98920
PUBCHEM_18	OC(=O)c1cccnc1	C59676
PUBCHEM_18	O=[N+](CC)[O-]	C79243
PUBCHEM_18	CN(C(=O)N)N=O	C684935
PUBCHEM_18	CN(N=O)C	C62759
PUBCHEM_18	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_18	O=NN1CCCC1	C930552
PUBCHEM_18	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_18	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_18	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_18	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_18	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_18	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_18	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_18	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_18	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_18	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_18	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_18	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_18	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_18	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_18	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_18	O=P(OC)(OC)OC	C512561
PUBCHEM_18	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_18	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_18	O=CCc1ccccc1	C122781
PUBCHEM_18	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_18	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_18	OCCOCCOCCOCCCC	C143226
PUBCHEM_18	CCCCCCCCCC=O	C112312
PUBCHEM_18	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_18	O=CCCCCCC	C111717
PUBCHEM_18	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_18	CCCCCCCCC=O	C124196
PUBCHEM_18	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_18	OC(=O)CCCC	C109524
PUBCHEM_18	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_18	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_18	CS(=O)C	C67685
PUBCHEM_18	OCCC	C71238
PUBCHEM_18	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_18	OC(C)CN	C78966
PUBCHEM_18	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_18	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_18	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_18	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_18	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_18	O=Cc1ccccc1O	C90028
PUBCHEM_18	Oc1cccc2ccccc12	C90153
PUBCHEM_18	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_18	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_18	ON=C1CCCCC1	C100641
PUBCHEM_18	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_18	OCCN1CCNCC1	C103764
PUBCHEM_18	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_18	Oc1ccc(Cl)cc1	C106489
PUBCHEM_18	CC(O)CC(C)(C)O	C107415
PUBCHEM_18	CCCC(=O)C	C107879
PUBCHEM_18	C1CCCCC1O	C108930
PUBCHEM_18	CCCCCC(=O)C	C110430
PUBCHEM_18	C(O)C#CCO	C110656
PUBCHEM_18	CCNCCO	C110736
PUBCHEM_18	CCCCCCO	C111273
PUBCHEM_18	CCCCCCCO	C111706
PUBCHEM_18	CCCCCCCCCC(=O)C	C112129
PUBCHEM_18	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_18	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_18	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_18	Oc1ccc(CC)cc1	C123079
PUBCHEM_18	CCCCCC(=O)OCC	C123660
PUBCHEM_18	CCCCCCCCCO	C143088
PUBCHEM_18	COc1ccc(OC)cc1	C150787
PUBCHEM_18	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_18	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_18	O=C(OC(C)(C)C)C	C540885
PUBCHEM_18	Oc1ccc(CCC)cc1	C645567
PUBCHEM_18	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_18	C=CC(=O)OCCO	C818611
PUBCHEM_18	CC/C=C\CCO	C928961
PUBCHEM_18	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_18	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_18	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_18	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_18	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_18	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_18	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_18	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_18	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_18	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_18	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_18	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_18	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_18	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_18	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_18	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_18	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_18	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_18	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_18	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_18	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_18	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_18	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_18	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_18	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_18	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_18	c1(c(CC)cccc1)O	C90006
PUBCHEM_18	c1c(O)cccc1CC	C620177
PUBCHEM_18	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_18	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_18	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_18	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_18	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_18	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_18	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_18	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_18	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_18	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_18	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_18	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_18	c1cccc(OC)c1O	C90051
PUBCHEM_18	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_18	C(=O)(O)C(C)O	C50215
PUBCHEM_18	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_18	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_18	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_18	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_18	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_18	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_18	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_18	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_18	NC(CO)(CO)CO	C77861
PUBCHEM_18	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_18	C[Si](=O)C	C9016006
PUBCHEM_18	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_18	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_18	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_18	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_18	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_18	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_18	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_18	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_18	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_18	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_18	Cc1cc(O)ccc1	C108394
PUBCHEM_18	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_18	OP(=O)(O)O	C7664382
PUBCHEM_18	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_18	CC(O)COC	C107982
PUBCHEM_18	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_18	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_18	O=C(N)N=NC(=O)N	C123773
PUBCHEM_18	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_18	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_18	ON=CCCC	C110690
PUBCHEM_18	OCCCCO	C110634
PUBCHEM_18	O=C(OCCCC)C=C	C141322
PUBCHEM_18	C(OCCCC)C1CO1	C2426086
PUBCHEM_18	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_18	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_18	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_18	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_18	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_18	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_18	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_18	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_18	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_18	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_18	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_18	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_18	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_18	OCNC(=O)NCO	C140954
PUBCHEM_18	Cc1c(C)cccc1O	C526750
PUBCHEM_18	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_18	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_18	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_18	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_18	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_18	C(CC)(C=O)CCCC	C123057
PUBCHEM_18	OCC(C(O)CCC)CC	C94962
PUBCHEM_18	CCC(=CCCC)C=O	C645625
PUBCHEM_18	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_18	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_18	c1c(CO)occ1	C98000
PUBCHEM_18	O=CCCCC=O	C111308
PUBCHEM_18	C(=O)(O)CO	C79141
PUBCHEM_18	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_18	C(C)(C)(O)C#N	C75865
PUBCHEM_18	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_18	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_18	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_18	O(C(C)C)C(=O)C	C108214
PUBCHEM_18	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_18	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_18	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_18	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_18	C1COCCN1	C110918
PUBCHEM_18	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_18	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_18	C(=O)(O)C(=O)O	C144627
PUBCHEM_18	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_18	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_18	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_18	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_18	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_18	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_18	O=C(O)CS	C68111
PUBCHEM_18	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_18	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_18	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_18	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_18	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_18	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_18	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_18	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_18	OCCc1ccccc1	C60128
PUBCHEM_18	O=C(O)c1ccccc1O	C69727
PUBCHEM_18	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_18	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_18	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_18	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_18	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_18	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_18	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_18	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_18	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_18	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_18	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_18	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_18	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_18	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_18	O=C1OCC(C)O1	C108327
PUBCHEM_18	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_18	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_18	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_18	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_18	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_18	O=C(C)OCCOCCCC	C112072
PUBCHEM_18	OCCOCCOCCOC	C112356
PUBCHEM_18	OCCOCCOCCOCCO	C112607
PUBCHEM_18	OCC(CO)(CO)CO	C115775
PUBCHEM_18	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_18	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_18	OC(CCCCCC)C	C123966
PUBCHEM_18	OCC(N)(C)C	C124685
PUBCHEM_18	OCC(C)(C)CO	C126307
PUBCHEM_18	Oc1ccc2ccccc2c1	C135193
PUBCHEM_18	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_18	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_18	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_18	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_18	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_18	O=C1NCCC1	C616455
PUBCHEM_18	O=COC(C)C	C625558
PUBCHEM_18	OC(C)COc1ccccc1	C770354
PUBCHEM_18	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_18	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_18	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_18	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_18	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_18	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_18	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_18	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_18	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_18	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_18	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_18	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_18	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_18	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_18	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_18	OCCOCCC	C2807309
PUBCHEM_18	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_18	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_18	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_18	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_18	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_18	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_18	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_18	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_18	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_18	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_18	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_18	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_18	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_18	CC(CO)O	C25322694
PUBCHEM_18	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_18	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_18	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_18	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_18	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_18	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_18	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_18	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_18	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_18	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_18	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_18	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_18	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_18	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_18	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_18	OCC1OCCC1	C97994
PUBCHEM_18	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_18	CN1CCOCC1	C109024
PUBCHEM_18	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_18	O=C1CCCC1	C120923
PUBCHEM_18	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_18	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_18	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_18	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_18	O=C(C=C(C)C)C	C141797
PUBCHEM_18	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_18	OC(C)COCCC	C1569013
PUBCHEM_18	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_18	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_18	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_18	OCC(CCC)CCCCC	C10042598
PUBCHEM_18	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_18	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_18	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_18	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_18	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_18	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_18	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_18	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_18	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_18	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_18	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_18	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_18	OC(OCCCC)CC	C29387868
PUBCHEM_18	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_18	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_18	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_18	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_18	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_18	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_18	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_18	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_18	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_18	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_18	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_18	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_18	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_18	OCn1nc(C)cc1C	C85264331
PUBCHEM_18	OCCSCCCCCCCC	C3547339
PUBCHEM_18	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_18	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_18	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_18	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_18	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_18	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_18	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_18	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_18	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_18	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_18	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_18	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_18	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_18	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_18	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_18	OC1CCCC1	C96413
PUBCHEM_18	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_18	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_18	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_18	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_18	O=S(=O)(N)O	C5329146
PUBCHEM_18	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_18	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_18	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_18	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_18	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_18	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_18	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_18	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_18	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_18	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_18	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_18	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_18	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_18	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_18	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_18	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_18	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_18	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_18	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_18	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_18	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_18	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_18	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_18	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_18	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_18	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_18	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_18	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_18	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_18	OC(CCCCC)C=C	C3391864
PUBCHEM_18	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_18	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_18	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_18	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_18	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_18	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_18	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_18	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_18	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_18	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_18	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_18	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_18	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_18	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_18	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_18	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_18	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_18	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_18	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_18	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_18	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_18	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_18	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_18	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_18	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_18	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_18	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_18	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_18	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_18	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_18	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_18	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_18	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_18	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_18	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_18	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_18	O=C(CC)OCC	C105373
PUBCHEM_18	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_18	O=C(c1ccccc1O)C	C118934
PUBCHEM_18	O=C1OCC(CC)O1	C4437858
PUBCHEM_18	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_18	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_18	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_18	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_18	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_18	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_18	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_18	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_18	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_18	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_18	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_18	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_18	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_18	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_18	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_18	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_18	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_18	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_18	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_18	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_18	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_18	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_18	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_18	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_18	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_18	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_18	CC(O)COCC	C1569024
PUBCHEM_18	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_18	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_18	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_18	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_18	Oc1ccccc1CN(C)C	C120650
PUBCHEM_18	O=C1CCC(O1)CC	C695067
PUBCHEM_18	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_18	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_18	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_18	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_18	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_18	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_18	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_18	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_18	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_18	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_18	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_18	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_18	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_18	O=C/C=C/CCC	C6728263
PUBCHEM_18	O1C=CCCC1	C110872
PUBCHEM_18	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_18	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_18	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_18	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_18	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_18	OCC=Cc1ccccc1	C104541
PUBCHEM_18	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_18	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_18	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_18	NCCCN1CCOCC1	C123002
PUBCHEM_18	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_18	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_18	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_18	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_18	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_18	O=C(CCC)OCCCCC	C540181
PUBCHEM_18	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_18	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_18	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_18	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_18	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_18	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_18	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_18	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_18	N#Cc1c(O)cccc1	C611201
PUBCHEM_18	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_18	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_18	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_18	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_18	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_18	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_18	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_18	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_18	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_18	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_18	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_18	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_18	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_18	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_18	OP(OCC)OCC	C762049
PUBCHEM_18	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_18	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_18	OCCOCC(CC)CCCC	C1559359
PUBCHEM_18	O=C(CC)CCCCC	C106683
PUBCHEM_18	OCCN(CC)CCO	C139877
PUBCHEM_18	CCOC(OCC)OCC	C122510
PUBCHEM_18	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_18	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_18	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_18	O=C(CF)O	C144490
PUBCHEM_18	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_18	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_18	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_18	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_18	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_18	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_18	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_18	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_18	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_18	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_18	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_18	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_18	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_18	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_18	OC(C)C(=O)OCCCC	C138227
PUBCHEM_18	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_18	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_18	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_18	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_18	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_18	Oc1c(OCC)cccc1	C94713
PUBCHEM_18	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_18	COc1ccc(CCC)cc1	C104450
PUBCHEM_18	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_18	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_18	CO[Si](C)(C)OC	C1112396
PUBCHEM_18	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_18	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_18	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_18	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_18	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_18	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_18	OC(CO)c1ccccc1	C93561
PUBCHEM_18	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_18	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_18	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_18	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_18	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_18	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_18	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_18	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_18	O=C(N)Nc1ccccc1	C64108
PUBCHEM_18	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_18	O=C(C)OCCCCCCCC	C112141
PUBCHEM_18	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_18	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_18	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_18	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_18	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_18	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_18	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_18	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_18	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_18	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_18	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_18	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_18	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_18	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_18	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_18	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_18	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_18	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_18	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_18	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_18	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_18	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_18	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_18	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_18	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_18	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_18	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_18	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_18	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_18	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_18	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_18	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_18	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_18	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_18	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_18	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_18	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_18	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_18	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_18	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_18	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_18	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_18	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_18	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_18	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_18	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_18	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_18	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_18	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_18	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_18	OCCOCC(C)OCCO	C9003116
PUBCHEM_18	O=C1OC(CCC)CC1	C105215
PUBCHEM_18	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_18	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_18	C=O	C50000
PUBCHEM_18	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_18	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_18	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_18	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_18	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_18	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_18	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_18	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_18	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_18	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_18	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_18	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_18	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_18	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_18	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_18	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_18	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_18	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_18	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_18	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_18	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_18	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_18	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_18	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_18	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_18	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_18	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_18	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_18	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_18	OB(O)O	C10043353
PUBCHEM_18	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_18	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_18	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_18	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_18	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_18	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_18	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_18	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_18	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_18	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_18	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_18	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_18	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_18	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_18	C[As](=O)(C)O	C75605
PUBCHEM_18	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_18	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_18	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_18	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_18	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_18	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_18	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_18	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_18	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_18	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_18	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_18	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_18	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_18	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_18	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_18	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_18	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_18	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_18	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_18	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_18	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_18	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_18	c1ccccc1OCCO	C122996
PUBCHEM_18	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_18	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_18	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_18	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_18	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_18	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_18	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_18	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_18	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_18	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_18	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_18	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_18	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_18	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_18	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_18	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_18	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_18	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_18	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_18	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_18	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_18	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_18	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_18	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_18	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_18	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_18	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_18	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_18	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_18	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_18	ClCCP(=O)(O)O	C16672870
PUBCHEM_18	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_18	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_18	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_18	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_18	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_18	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_18	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_18	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_18	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_18	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_18	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_18	NP(=O)(OC)SC	C10265926
PUBCHEM_18	OCCOC	C109864
PUBCHEM_18	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_18	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_18	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_18	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_18	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_18	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_18	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_18	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_18	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_18	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_18	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_18	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_18	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_18	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_18	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_18	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_18	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_18	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_18	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_18	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_18	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_18	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_18	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_18	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_18	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_18	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_18	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_18	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_18	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_18	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_18	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_18	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_18	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_18	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_18	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_18	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_18	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_18	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_18	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_18	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_18	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_18	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_18	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_18	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_18	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_18	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_18	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_18	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_18	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_18	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_18	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_18	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_18	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_18	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_18	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_18	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_18	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_18	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_18	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_18	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_18	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_18	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_18	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_18	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_18	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_18	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_18	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_18	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_18	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_18	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_18	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_18	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_18	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_18	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_18	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_18	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_18	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_18	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_18	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_18	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_18	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_18	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_18	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_18	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_18	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_18	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_18	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_18	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_18	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_18	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_18	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_18	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_18	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_18	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_18	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_18	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_18	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_18	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_18	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_18	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_18	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_18	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_18	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_18	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_18	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_18	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_18	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_18	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_18	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_18	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_18	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_18	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_18	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_18	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_18	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_18	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_18	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_18	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_18	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_18	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_18	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_18	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_18	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_18	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_18	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_18	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_18	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_18	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_18	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_18	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_18	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_18	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_18	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_18	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_18	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_18	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_18	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_18	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_18	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_18	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_18	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_18	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_18	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_18	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_18	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_18	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_18	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_18	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_18	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_18	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_18	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_18	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_18	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_18	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_18	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_18	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_18	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_18	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_18	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_18	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_18	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_18	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_18	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_18	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_18	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_18	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_18	NC(=O)C=C	C79061
PUBCHEM_18	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_18	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_18	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_18	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_18	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_18	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_18	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_18	c1coc2c1cccc2	C271896
PUBCHEM_18	OC(=O)c1ccccc1	C65850
PUBCHEM_18	OCc1ccccc1	C100516
PUBCHEM_18	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_18	ClCCOCCCl	C111444
PUBCHEM_18	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_18	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_18	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_18	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_18	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_18	O=C1CCCO1	C96480
PUBCHEM_18	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_18	O=C1CCCCCN1	C105602
PUBCHEM_18	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_18	Oc1c(cccc1)O	C120809
PUBCHEM_18	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_18	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_18	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_18	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_18	O=C(c1ccccc1)CCl	C532274
PUBCHEM_18	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_18	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_18	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_18	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_18	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_18	Nc1cc(ccc1OC)C	C120718
PUBCHEM_18	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_18	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_18	OC(=O)C(Cl)Cl	C79436
PUBCHEM_18	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_18	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_18	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_18	OCCOCCO	C111466
PUBCHEM_18	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_18	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_18	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_18	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_18	O=C(N(C)C)Cl	C79447
PUBCHEM_18	CN(C=O)C	C68122
PUBCHEM_18	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_18	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_18	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_18	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_18	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_18	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_18	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_18	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_18	C(CO)O	C107211
PUBCHEM_18	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_18	CCC(CCCC)CO	C104767
PUBCHEM_18	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_18	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_18	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_18	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_18	O=Cc1ccco1	C98011
PUBCHEM_18	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_18	OCC(O)CO	C56815
PUBCHEM_18	OCC1CO1	C556525
PUBCHEM_18	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_18	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_18	Oc1ccc(cc1)O	C123319
PUBCHEM_18	Oc1cccc2cccnc12	C148243
PUBCHEM_18	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_18	O=C(c1ccncc1)NN	C54853
PUBCHEM_18	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_18	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_18	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_18	CS(=O)(=O)OC	C66273
PUBCHEM_18	O=C1N(CCC1)C	C872504
PUBCHEM_18	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_18	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_18	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_18	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_18	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_18	O=N[O-].[Na+]	C7632000
PUBCHEM_18	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_18	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_18	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_18	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_18	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_18	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_18	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_18	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_18	O=NN(CCCC)CCCC	C924163
PUBCHEM_18	CCN(CC)N=O	C55185
PUBCHEM_18	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_18	O=NN(CCC)CCC	C621647
PUBCHEM_18	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_18	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_18	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_18	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_18	Oc1ccccc1	C108952
PUBCHEM_18	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_18	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_18	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_18	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_18	O=S1(=O)CCCO1	C1120714
PUBCHEM_18	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_18	CC(CO)O	C57556
PUBCHEM_18	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_18	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_18	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_18	Oc1cc(ccc1)O	C108463
PUBCHEM_18	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_18	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_18	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_18	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_18	OC(=O)C=CC=CC	C110441
PUBCHEM_18	C1C(c2ccccc2)O1	C96093
PUBCHEM_18	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_18	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_18	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_18	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_18	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_18	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_18	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_18	OCCN(CCO)CCO	C102716
PUBCHEM_18	OCCOCCOCCO	C112276
PUBCHEM_18	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_18	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_18	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_18	C(=O)(N)N	C57136
PUBCHEM_18	NC(=O)OCC	C51796
PUBCHEM_18	O=C1N(C=C)CCC1	C88120
PUBCHEM_18	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_18	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_18	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_18	OC(=O)CCC	C107926
PUBCHEM_18	CCCCOCCOCCO	C112345
PUBCHEM_18	Oc1ccccc1Cl	C95578
PUBCHEM_18	CCCCCCCCCC(=O)O	C334485
PUBCHEM_18	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_18	O=C(O)CCCCCC	C111148
PUBCHEM_18	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_18	CCCCCC(=O)O	C142621
PUBCHEM_18	CCCCCCCCC(=O)O	C112050
PUBCHEM_18	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_18	CCCCCCCC=O	C124130
PUBCHEM_18	CCCCCCCC(=O)O	C124072
PUBCHEM_18	CCCCC=O	C110623
PUBCHEM_18	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_18	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_18	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_18	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_18	Oc1c(C)cccc1	C95487
PUBCHEM_18	CCC(=NO)C	C96297
PUBCHEM_18	c1ccccc1C(=O)C	C98862
PUBCHEM_18	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_18	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_18	CCN(CCO)CC	C100378
PUBCHEM_18	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_18	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_18	Oc1ccc(C)cc1	C106445
PUBCHEM_18	ClCCO	C107073
PUBCHEM_18	CC(=O)OCCOCC	C111159
PUBCHEM_18	OCCNCCO	C111422
PUBCHEM_18	CCCCCCCCO	C111875
PUBCHEM_18	CCOCCOCCO	C111900
PUBCHEM_18	CCCCCCCCCCO	C112301
PUBCHEM_18	CCCCCCCCCCCCCO	C112709
PUBCHEM_18	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_18	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_18	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_18	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_18	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_18	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_18	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_18	OCCN	C141435
PUBCHEM_18	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_18	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_18	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_18	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_18	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_18	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_18	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_18	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_18	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_18	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_18	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_18	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_18	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_18	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_18	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_18	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_18	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_18	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_18	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_18	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_18	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_18	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_18	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_18	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_18	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_18	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_18	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_18	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_18	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_18	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_18	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_18	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_18	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_18	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_18	Nc1c(OC)cccc1	C90040
PUBCHEM_18	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_18	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_18	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_18	O=S(=O)(OCC)OCC	C64675
PUBCHEM_18	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_18	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_18	O=S(=O)(OC)OC	C77781
PUBCHEM_18	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_18	Oc1c(cccc1C)C	C576261
PUBCHEM_18	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_18	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_18	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_18	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_18	CCOCCO	C110805
PUBCHEM_18	CCCCOCCO	C111762
PUBCHEM_18	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_18	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_18	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_18	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_18	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_18	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_18	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_18	OCCOCCOCCOCC	C112505
PUBCHEM_18	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_18	ON=CC(C)(C)SC	C1646759
PUBCHEM_18	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_18	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_18	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_18	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_18	O(CCOC)CCOC	C111966
PUBCHEM_18	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_18	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_18	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_18	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_18	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_18	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_18	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_18	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_18	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_18	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_18	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_18	OC(CCl)CCl	C96231
PUBCHEM_18	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_18	O(CCOC)CCO	C111773
PUBCHEM_18	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_18	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_18	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_18	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_18	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_18	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_18	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_18	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_18	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_18	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_18	O=C(O)C(CCCC)CC	C149575
PUBCHEM_18	C(=O)(N)NO	C127071
PUBCHEM_18	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_18	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_18	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_18	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_18	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_18	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_18	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_18	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_18	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_18	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_18	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_18	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_18	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_18	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_18	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_18	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_18	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_18	C(OCCOC)COCCOC	C112492
PUBCHEM_18	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_18	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_18	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_18	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_18	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_18	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_18	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_18	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_18	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_18	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_18	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_18	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_18	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_18	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_18	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_18	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_18	OCCC(O)C	C107880
PUBCHEM_18	OC(CC(C)C)C	C108112
PUBCHEM_18	O=C(OC)CCCCCCC	C111115
PUBCHEM_18	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_18	OCCOCCCCCC	C112254
PUBCHEM_18	OCCCCCCCCCCC	C112425
PUBCHEM_18	OCCCCCCCCCCCC	C112538
PUBCHEM_18	OCCCCCCCCCCCCCC	C112721
PUBCHEM_18	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_18	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_18	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_18	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_18	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_18	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_18	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_18	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_18	O=C(C)OCCCCC	C628637
PUBCHEM_18	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_18	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_18	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_18	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_18	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_18	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_18	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_18	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_18	OC(OC(O)CC)CC	C25265718
PUBCHEM_18	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_18	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_18	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_18	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_18	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_18	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_18	OC(OCCCOC)CC	C34590948
PUBCHEM_18	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_18	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_18	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_18	O=C(OC)CC(=O)OC	C108598
PUBCHEM_18	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_18	CCC12N(COC1)COC2	C7747355
PUBCHEM_18	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_18	O=C(N)C(=C)C	C79390
PUBCHEM_18	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_18	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_18	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_18	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_18	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_18	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_18	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_18	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_18	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_18	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_18	O=Cc1ccccc1C=O	C643798
PUBCHEM_18	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_18	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_18	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_18	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_18	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_18	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_18	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_18	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_18	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_18	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_18	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_18	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_18	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_18	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_18	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_18	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_18	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_18	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_18	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_18	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_18	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_18	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_18	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_18	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_18	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_18	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_18	O=C(CCC)OCC	C105544
PUBCHEM_18	O=C(OCC)CCCCCC	C106309
PUBCHEM_18	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_18	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_18	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_18	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_18	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_18	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_18	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_18	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_18	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_18	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_18	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_18	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_18	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_18	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_18	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_18	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_18	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_18	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_18	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_18	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_18	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_18	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_18	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_18	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_18	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_18	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_18	O=C(C)NC	C79163
PUBCHEM_18	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_18	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_18	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_18	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_18	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_18	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_18	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_18	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_18	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_18	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_18	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_18	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_18	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_18	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_18	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_18	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_18	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_18	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_18	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_18	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_18	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_18	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_18	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_18	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_18	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_18	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_18	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_18	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_18	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_18	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_18	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_18	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_18	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_18	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_18	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_18	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_18	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_18	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_18	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_18	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_18	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_18	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_18	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_18	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_18	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_18	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_18	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_18	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_18	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_18	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_18	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_18	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_18	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_18	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_18	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_18	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_18	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_18	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_18	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_18	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_18	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_18	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_18	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_18	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_18	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_18	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_18	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_18	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_18	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_18	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_18	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_18	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_18	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_18	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_18	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_18	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_18	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_18	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_18	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_18	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_18	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_18	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_18	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_18	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_18	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_18	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_18	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_18	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_18	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_18	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_18	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_18	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_18	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_18	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_18	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_18	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_18	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_18	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_18	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_18	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_18	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_18	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_18	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_18	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_18	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_18	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_18	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_18	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_18	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_18	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_18	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_18	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_18	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_18	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_18	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_18	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_18	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_18	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_18	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_18	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_18	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_18	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_18	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_18	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_18	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_18	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_18	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_18	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_18	C(=O)N	C75127
PUBCHEM_18	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_18	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_18	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_18	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_18	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_18	OCCCBr	C627189
PUBCHEM_18	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_18	C(=O)(C)O	C64197
PUBCHEM_18	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_18	C(CO)C(C)C	C123513
PUBCHEM_18	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_18	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_18	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_18	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_18	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_18	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_18	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_18	NCCOCCOCCN	C929599
PUBCHEM_18	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_18	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_18	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_18	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_18	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_18	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_18	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_18	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_18	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_18	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_18	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_18	O=[Si]=O	C7631869
PUBCHEM_18	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_18	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_18	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_18	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_18	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_18	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_18	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_18	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_18	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_18	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_18	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_18	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_18	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_18	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_18	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_18	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_18	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_18	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_18	OCCC(OC)C	C2517433
PUBCHEM_18	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_18	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_18	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_18	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_18	O=COCC	C109944
PUBCHEM_18	O=C(OCC)c1ccccc1	C93890
PUBCHEM_18	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_18	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_18	O=CCCSC	C3268493
PUBCHEM_18	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_18	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_18	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_18	CC(=O)OCC	C141786
PUBCHEM_18	CC(=O)OCCCC	C123864
PUBCHEM_18	CC(=O)CCC(C)C	C110123
PUBCHEM_18	CC(=O)CC(C)C	C108101
PUBCHEM_18	CC(C)C=O	C78842
PUBCHEM_18	CCCCCC=O	C66251
PUBCHEM_18	CCCC=O	C123728
PUBCHEM_18	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_18	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_18	CCC1CO1	C106887
PUBCHEM_18	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_18	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_18	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_18	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_18	CC1CC(=O)O1	C3068880
PUBCHEM_18	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_18	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_18	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_18	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_18	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_18	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_18	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_18	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_18	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_18	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_18	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_18	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_18	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_18	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_18	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_18	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_18	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_18	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_18	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_18	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_18	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_18	O=C(CCl)CCl	C534076
PUBCHEM_18	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_18	CC(=O)C(=O)O	C127173
PUBCHEM_18	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_18	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_18	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_18	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_18	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_18	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_18	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_18	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_18	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_18	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_18	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_18	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_18	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_18	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_18	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_18	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_18	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_18	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_18	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_18	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_18	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_18	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_18	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_18	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_18	Nc1ccc(OC)cc1	C104949
PUBCHEM_18	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_18	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_18	O=CC=CC=CCCCCC	C25152845
PUBCHEM_18	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_18	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_18	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_18	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_18	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_18	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_18	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_18	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_18	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_18	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_18	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_18	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_18	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_18	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_18	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_18	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_18	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_18	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_18	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_18	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_18	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_18	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_18	OCC=C(C)C	C556821
PUBCHEM_18	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_18	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_18	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_18	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_18	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_18	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_18	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_18	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_18	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_18	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_18	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_18	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_18	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_18	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_18	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_18	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_18	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_18	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_18	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_18	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_18	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_18	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_18	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_18	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_18	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_18	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_18	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_18	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_18	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_18	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_18	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_18	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_18	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_18	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_18	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_18	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_18	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_18	O=CCCCCCCCCC=C	C112458
PUBCHEM_18	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_18	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_18	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_18	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_18	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_18	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_18	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_18	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_18	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_18	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_18	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_18	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_18	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_18	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_18	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_18	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_18	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_18	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_18	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_18	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_18	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_18	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_18	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_18	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_18	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_18	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_18	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_18	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_18	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_18	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_18	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_18	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_18	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_18	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_18	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_18	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_18	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_18	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_18	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_18	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_18	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_18	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_18	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_18	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_18	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_18	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_18	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_18	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_18	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_18	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_18	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_18	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_18	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_18	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_18	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_18	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_18	O=[As]c1ccccc1	C637036
PUBCHEM_18	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_18	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_18	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_18	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_18	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_18	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_18	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_18	O=CN1CCCCC1	C2591868
PUBCHEM_18	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_18	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_18	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_18	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_18	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_18	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_18	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_18	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_18	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_18	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_18	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_18	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_18	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_18	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_18	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_18	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_18	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_18	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_18	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_18	O=C(OCCCCO)C=C	C2478106
PUBCHEM_18	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_18	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_18	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_18	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_18	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_18	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_18	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_18	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_18	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_18	NCCCOCCCCCCCC	C15930662
PUBCHEM_18	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_18	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_18	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_18	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_18	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_18	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_18	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_18	CC1COc2ccccc2N1	C32329207
PUBCHEM_18	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_18	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_18	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_18	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_18	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_18	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_18	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_18	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_18	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_18	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_18	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_18	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_18	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_18	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_18	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_18	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_18	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_18	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_18	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_18	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_18	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_18	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_18	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_18	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_18	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_18	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_18	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_18	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_18	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_18	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_18	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_18	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_18	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_18	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_18	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_18	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_18	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_18	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_18	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_18	CCCCCc1ccco1	C3777693
PUBCHEM_18	CCC(=O)C(=O)CC	C4437518
PUBCHEM_18	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_18	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_19	CC(=O)N	C60355
PUBCHEM_19	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_19	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_19	C=CCO	C107186
PUBCHEM_19	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_19	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_19	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_19	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_19	CC(=O)OCc1ccccc1	C140114
PUBCHEM_19	CC(CNCC(C)O)O	C110974
PUBCHEM_19	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_19	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_19	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_19	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_19	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_19	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_19	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_19	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_19	O=CCCl	C107200
PUBCHEM_19	ClCOC	C107302
PUBCHEM_19	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_19	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_19	O=C1CCCCC1	C108941
PUBCHEM_19	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_19	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_19	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_19	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_19	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_19	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_19	CN(C)C(=O)C	C127195
PUBCHEM_19	CN(CCO)C	C108010
PUBCHEM_19	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_19	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_19	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_19	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_19	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_19	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_19	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_19	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_19	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_19	OC(CO)CCl	C96242
PUBCHEM_19	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_19	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_19	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_19	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_19	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_19	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_19	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_19	COc1ccc(cc1)O	C150765
PUBCHEM_19	NC(=O)OC	C598550
PUBCHEM_19	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_19	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_19	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_19	NC(=O)c1cccnc1	C98920
PUBCHEM_19	OC(=O)c1cccnc1	C59676
PUBCHEM_19	O=[N+](CC)[O-]	C79243
PUBCHEM_19	CN(C(=O)N)N=O	C684935
PUBCHEM_19	CN(N=O)C	C62759
PUBCHEM_19	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_19	O=NN1CCCC1	C930552
PUBCHEM_19	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_19	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_19	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_19	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_19	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_19	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_19	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_19	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_19	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_19	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_19	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_19	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_19	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_19	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_19	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_19	O=P(OC)(OC)OC	C512561
PUBCHEM_19	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_19	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_19	O=CCc1ccccc1	C122781
PUBCHEM_19	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_19	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_19	OCCOCCOCCOCCCC	C143226
PUBCHEM_19	CCCCCCCCCC=O	C112312
PUBCHEM_19	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_19	O=CCCCCCC	C111717
PUBCHEM_19	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_19	CCCCCCCCC=O	C124196
PUBCHEM_19	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_19	OC(=O)CCCC	C109524
PUBCHEM_19	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_19	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_19	CS(=O)C	C67685
PUBCHEM_19	OCCC	C71238
PUBCHEM_19	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_19	OC(C)CN	C78966
PUBCHEM_19	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_19	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_19	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_19	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_19	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_19	O=Cc1ccccc1O	C90028
PUBCHEM_19	Oc1cccc2ccccc12	C90153
PUBCHEM_19	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_19	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_19	ON=C1CCCCC1	C100641
PUBCHEM_19	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_19	OCCN1CCNCC1	C103764
PUBCHEM_19	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_19	Oc1ccc(Cl)cc1	C106489
PUBCHEM_19	CC(O)CC(C)(C)O	C107415
PUBCHEM_19	CCCC(=O)C	C107879
PUBCHEM_19	C1CCCCC1O	C108930
PUBCHEM_19	CCCCCC(=O)C	C110430
PUBCHEM_19	C(O)C#CCO	C110656
PUBCHEM_19	CCNCCO	C110736
PUBCHEM_19	CCCCCCO	C111273
PUBCHEM_19	CCCCCCCO	C111706
PUBCHEM_19	CCCCCCCCCC(=O)C	C112129
PUBCHEM_19	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_19	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_19	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_19	Oc1ccc(CC)cc1	C123079
PUBCHEM_19	CCCCCC(=O)OCC	C123660
PUBCHEM_19	CCCCCCCCCO	C143088
PUBCHEM_19	COc1ccc(OC)cc1	C150787
PUBCHEM_19	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_19	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_19	O=C(OC(C)(C)C)C	C540885
PUBCHEM_19	Oc1ccc(CCC)cc1	C645567
PUBCHEM_19	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_19	C=CC(=O)OCCO	C818611
PUBCHEM_19	CC/C=C\CCO	C928961
PUBCHEM_19	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_19	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_19	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_19	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_19	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_19	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_19	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_19	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_19	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_19	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_19	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_19	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_19	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_19	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_19	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_19	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_19	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_19	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_19	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_19	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_19	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_19	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_19	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_19	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_19	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_19	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_19	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_19	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_19	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_19	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_19	c1(c(CC)cccc1)O	C90006
PUBCHEM_19	c1c(O)cccc1CC	C620177
PUBCHEM_19	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_19	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_19	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_19	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_19	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_19	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_19	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_19	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_19	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_19	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_19	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_19	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_19	c1cccc(OC)c1O	C90051
PUBCHEM_19	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_19	C(=O)(O)C(C)O	C50215
PUBCHEM_19	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_19	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_19	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_19	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_19	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_19	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_19	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_19	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_19	NC(CO)(CO)CO	C77861
PUBCHEM_19	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_19	C[Si](=O)C	C9016006
PUBCHEM_19	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_19	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_19	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_19	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_19	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_19	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_19	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_19	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_19	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_19	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_19	Cc1cc(O)ccc1	C108394
PUBCHEM_19	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_19	OP(=O)(O)O	C7664382
PUBCHEM_19	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_19	CC(O)COC	C107982
PUBCHEM_19	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_19	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_19	O=C(N)N=NC(=O)N	C123773
PUBCHEM_19	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_19	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_19	ON=CCCC	C110690
PUBCHEM_19	OCCCCO	C110634
PUBCHEM_19	O=C(OCCCC)C=C	C141322
PUBCHEM_19	C(OCCCC)C1CO1	C2426086
PUBCHEM_19	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_19	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_19	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_19	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_19	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_19	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_19	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_19	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_19	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_19	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_19	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_19	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_19	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_19	OCNC(=O)NCO	C140954
PUBCHEM_19	Cc1c(C)cccc1O	C526750
PUBCHEM_19	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_19	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_19	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_19	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_19	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_19	C(CC)(C=O)CCCC	C123057
PUBCHEM_19	OCC(C(O)CCC)CC	C94962
PUBCHEM_19	CCC(=CCCC)C=O	C645625
PUBCHEM_19	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_19	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_19	c1c(CO)occ1	C98000
PUBCHEM_19	O=CCCCC=O	C111308
PUBCHEM_19	C(=O)(O)CO	C79141
PUBCHEM_19	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_19	C(C)(C)(O)C#N	C75865
PUBCHEM_19	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_19	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_19	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_19	O(C(C)C)C(=O)C	C108214
PUBCHEM_19	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_19	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_19	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_19	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_19	C1COCCN1	C110918
PUBCHEM_19	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_19	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_19	C(=O)(O)C(=O)O	C144627
PUBCHEM_19	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_19	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_19	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_19	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_19	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_19	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_19	O=C(O)CS	C68111
PUBCHEM_19	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_19	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_19	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_19	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_19	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_19	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_19	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_19	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_19	OCCc1ccccc1	C60128
PUBCHEM_19	O=C(O)c1ccccc1O	C69727
PUBCHEM_19	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_19	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_19	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_19	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_19	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_19	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_19	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_19	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_19	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_19	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_19	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_19	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_19	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_19	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_19	O=C1OCC(C)O1	C108327
PUBCHEM_19	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_19	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_19	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_19	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_19	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_19	O=C(C)OCCOCCCC	C112072
PUBCHEM_19	OCCOCCOCCOC	C112356
PUBCHEM_19	OCCOCCOCCOCCO	C112607
PUBCHEM_19	OCC(CO)(CO)CO	C115775
PUBCHEM_19	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_19	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_19	OC(CCCCCC)C	C123966
PUBCHEM_19	OCC(N)(C)C	C124685
PUBCHEM_19	OCC(C)(C)CO	C126307
PUBCHEM_19	Oc1ccc2ccccc2c1	C135193
PUBCHEM_19	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_19	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_19	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_19	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_19	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_19	O=C1NCCC1	C616455
PUBCHEM_19	O=COC(C)C	C625558
PUBCHEM_19	OC(C)COc1ccccc1	C770354
PUBCHEM_19	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_19	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_19	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_19	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_19	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_19	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_19	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_19	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_19	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_19	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_19	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_19	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_19	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_19	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_19	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_19	OCCOCCC	C2807309
PUBCHEM_19	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_19	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_19	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_19	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_19	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_19	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_19	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_19	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_19	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_19	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_19	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_19	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_19	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_19	CC(CO)O	C25322694
PUBCHEM_19	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_19	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_19	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_19	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_19	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_19	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_19	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_19	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_19	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_19	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_19	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_19	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_19	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_19	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_19	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_19	OCC1OCCC1	C97994
PUBCHEM_19	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_19	CN1CCOCC1	C109024
PUBCHEM_19	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_19	O=C1CCCC1	C120923
PUBCHEM_19	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_19	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_19	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_19	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_19	O=C(C=C(C)C)C	C141797
PUBCHEM_19	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_19	OC(C)COCCC	C1569013
PUBCHEM_19	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_19	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_19	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_19	OCC(CCC)CCCCC	C10042598
PUBCHEM_19	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_19	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_19	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_19	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_19	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_19	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_19	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_19	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_19	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_19	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_19	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_19	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_19	OC(OCCCC)CC	C29387868
PUBCHEM_19	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_19	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_19	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_19	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_19	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_19	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_19	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_19	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_19	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_19	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_19	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_19	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_19	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_19	OCn1nc(C)cc1C	C85264331
PUBCHEM_19	OCCSCCCCCCCC	C3547339
PUBCHEM_19	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_19	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_19	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_19	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_19	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_19	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_19	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_19	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_19	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_19	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_19	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_19	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_19	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_19	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_19	OC1CCCC1	C96413
PUBCHEM_19	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_19	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_19	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_19	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_19	O=S(=O)(N)O	C5329146
PUBCHEM_19	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_19	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_19	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_19	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_19	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_19	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_19	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_19	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_19	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_19	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_19	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_19	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_19	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_19	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_19	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_19	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_19	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_19	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_19	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_19	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_19	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_19	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_19	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_19	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_19	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_19	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_19	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_19	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_19	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_19	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_19	OC(CCCCC)C=C	C3391864
PUBCHEM_19	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_19	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_19	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_19	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_19	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_19	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_19	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_19	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_19	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_19	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_19	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_19	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_19	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_19	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_19	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_19	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_19	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_19	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_19	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_19	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_19	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_19	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_19	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_19	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_19	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_19	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_19	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_19	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_19	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_19	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_19	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_19	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_19	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_19	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_19	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_19	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_19	O=C(CC)OCC	C105373
PUBCHEM_19	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_19	O=C(c1ccccc1O)C	C118934
PUBCHEM_19	O=C1OCC(CC)O1	C4437858
PUBCHEM_19	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_19	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_19	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_19	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_19	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_19	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_19	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_19	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_19	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_19	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_19	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_19	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_19	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_19	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_19	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_19	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_19	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_19	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_19	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_19	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_19	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_19	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_19	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_19	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_19	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_19	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_19	CC(O)COCC	C1569024
PUBCHEM_19	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_19	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_19	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_19	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_19	Oc1ccccc1CN(C)C	C120650
PUBCHEM_19	O=C1CCC(O1)CC	C695067
PUBCHEM_19	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_19	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_19	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_19	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_19	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_19	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_19	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_19	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_19	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_19	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_19	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_19	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_19	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_19	O=C/C=C/CCC	C6728263
PUBCHEM_19	O1C=CCCC1	C110872
PUBCHEM_19	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_19	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_19	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_19	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_19	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_19	OCC=Cc1ccccc1	C104541
PUBCHEM_19	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_19	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_19	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_19	NCCCN1CCOCC1	C123002
PUBCHEM_19	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_19	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_19	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_19	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_19	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_19	O=C(CCC)OCCCCC	C540181
PUBCHEM_19	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_19	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_19	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_19	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_19	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_19	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_19	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_19	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_19	N#Cc1c(O)cccc1	C611201
PUBCHEM_19	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_19	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_19	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_19	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_19	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_19	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_19	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_19	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_19	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_19	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_19	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_19	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_19	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_19	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_19	OP(OCC)OCC	C762049
PUBCHEM_19	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_19	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_19	OCCOCC(CC)CCCC	C1559359
PUBCHEM_19	O=C(CC)CCCCC	C106683
PUBCHEM_19	OCCN(CC)CCO	C139877
PUBCHEM_19	CCOC(OCC)OCC	C122510
PUBCHEM_19	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_19	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_19	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_19	O=C(CF)O	C144490
PUBCHEM_19	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_19	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_19	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_19	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_19	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_19	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_19	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_19	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_19	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_19	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_19	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_19	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_19	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_19	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_19	OC(C)C(=O)OCCCC	C138227
PUBCHEM_19	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_19	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_19	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_19	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_19	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_19	Oc1c(OCC)cccc1	C94713
PUBCHEM_19	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_19	COc1ccc(CCC)cc1	C104450
PUBCHEM_19	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_19	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_19	CO[Si](C)(C)OC	C1112396
PUBCHEM_19	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_19	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_19	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_19	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_19	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_19	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_19	OC(CO)c1ccccc1	C93561
PUBCHEM_19	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_19	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_19	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_19	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_19	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_19	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_19	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_19	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_19	O=C(N)Nc1ccccc1	C64108
PUBCHEM_19	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_19	O=C(C)OCCCCCCCC	C112141
PUBCHEM_19	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_19	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_19	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_19	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_19	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_19	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_19	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_19	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_19	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_19	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_19	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_19	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_19	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_19	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_19	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_19	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_19	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_19	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_19	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_19	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_19	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_19	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_19	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_19	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_19	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_19	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_19	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_19	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_19	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_19	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_19	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_19	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_19	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_19	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_19	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_19	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_19	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_19	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_19	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_19	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_19	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_19	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_19	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_19	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_19	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_19	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_19	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_19	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_19	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_19	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_19	OCCOCC(C)OCCO	C9003116
PUBCHEM_19	O=C1OC(CCC)CC1	C105215
PUBCHEM_19	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_19	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_19	C=O	C50000
PUBCHEM_19	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_19	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_19	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_19	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_19	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_19	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_19	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_19	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_19	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_19	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_19	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_19	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_19	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_19	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_19	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_19	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_19	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_19	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_19	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_19	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_19	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_19	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_19	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_19	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_19	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_19	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_19	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_19	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_19	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_19	OB(O)O	C10043353
PUBCHEM_19	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_19	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_19	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_19	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_19	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_19	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_19	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_19	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_19	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_19	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_19	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_19	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_19	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_19	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_19	C[As](=O)(C)O	C75605
PUBCHEM_19	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_19	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_19	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_19	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_19	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_19	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_19	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_19	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_19	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_19	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_19	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_19	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_19	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_19	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_19	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_19	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_19	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_19	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_19	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_19	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_19	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_19	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_19	c1ccccc1OCCO	C122996
PUBCHEM_19	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_19	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_19	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_19	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_19	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_19	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_19	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_19	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_19	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_19	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_19	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_19	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_19	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_19	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_19	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_19	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_19	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_19	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_19	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_19	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_19	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_19	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_19	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_19	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_19	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_19	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_19	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_19	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_19	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_19	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_19	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_19	ClCCP(=O)(O)O	C16672870
PUBCHEM_19	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_19	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_19	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_19	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_19	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_19	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_19	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_19	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_19	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_19	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_19	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_19	NP(=O)(OC)SC	C10265926
PUBCHEM_19	OCCOC	C109864
PUBCHEM_19	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_19	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_19	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_19	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_19	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_19	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_19	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_19	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_19	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_19	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_19	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_19	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_19	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_19	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_19	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_19	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_19	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_19	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_19	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_19	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_19	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_19	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_19	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_19	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_19	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_19	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_19	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_19	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_19	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_19	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_19	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_19	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_19	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_19	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_19	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_19	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_19	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_19	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_19	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_19	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_19	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_19	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_19	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_19	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_19	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_19	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_19	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_19	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_19	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_19	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_19	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_19	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_19	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_19	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_19	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_19	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_19	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_19	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_19	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_19	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_19	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_19	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_19	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_19	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_19	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_19	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_19	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_19	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_19	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_19	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_19	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_19	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_19	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_19	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_19	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_19	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_19	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_19	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_19	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_19	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_19	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_19	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_19	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_19	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_19	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_19	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_19	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_19	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_19	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_19	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_19	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_19	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_19	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_19	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_19	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_19	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_19	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_19	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_19	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_19	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_19	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_19	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_19	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_19	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_19	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_19	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_19	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_19	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_19	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_19	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_19	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_19	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_19	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_19	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_19	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_19	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_19	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_19	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_19	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_19	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_19	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_19	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_19	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_19	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_19	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_19	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_19	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_19	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_19	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_19	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_19	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_19	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_19	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_19	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_19	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_19	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_19	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_19	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_19	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_19	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_19	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_19	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_19	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_19	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_19	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_19	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_19	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_19	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_19	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_19	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_19	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_19	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_19	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_19	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_19	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_19	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_19	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_19	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_19	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_19	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_19	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_19	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_19	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_19	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_19	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_19	NC(=O)C=C	C79061
PUBCHEM_19	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_19	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_19	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_19	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_19	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_19	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_19	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_19	c1coc2c1cccc2	C271896
PUBCHEM_19	OC(=O)c1ccccc1	C65850
PUBCHEM_19	OCc1ccccc1	C100516
PUBCHEM_19	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_19	ClCCOCCCl	C111444
PUBCHEM_19	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_19	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_19	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_19	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_19	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_19	O=C1CCCO1	C96480
PUBCHEM_19	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_19	O=C1CCCCCN1	C105602
PUBCHEM_19	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_19	Oc1c(cccc1)O	C120809
PUBCHEM_19	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_19	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_19	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_19	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_19	O=C(c1ccccc1)CCl	C532274
PUBCHEM_19	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_19	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_19	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_19	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_19	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_19	Nc1cc(ccc1OC)C	C120718
PUBCHEM_19	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_19	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_19	OC(=O)C(Cl)Cl	C79436
PUBCHEM_19	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_19	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_19	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_19	OCCOCCO	C111466
PUBCHEM_19	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_19	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_19	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_19	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_19	O=C(N(C)C)Cl	C79447
PUBCHEM_19	CN(C=O)C	C68122
PUBCHEM_19	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_19	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_19	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_19	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_19	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_19	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_19	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_19	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_19	C(CO)O	C107211
PUBCHEM_19	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_19	CCC(CCCC)CO	C104767
PUBCHEM_19	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_19	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_19	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_19	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_19	O=Cc1ccco1	C98011
PUBCHEM_19	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_19	OCC(O)CO	C56815
PUBCHEM_19	OCC1CO1	C556525
PUBCHEM_19	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_19	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_19	Oc1ccc(cc1)O	C123319
PUBCHEM_19	Oc1cccc2cccnc12	C148243
PUBCHEM_19	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_19	O=C(c1ccncc1)NN	C54853
PUBCHEM_19	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_19	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_19	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_19	CS(=O)(=O)OC	C66273
PUBCHEM_19	O=C1N(CCC1)C	C872504
PUBCHEM_19	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_19	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_19	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_19	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_19	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_19	O=N[O-].[Na+]	C7632000
PUBCHEM_19	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_19	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_19	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_19	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_19	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_19	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_19	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_19	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_19	O=NN(CCCC)CCCC	C924163
PUBCHEM_19	CCN(CC)N=O	C55185
PUBCHEM_19	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_19	O=NN(CCC)CCC	C621647
PUBCHEM_19	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_19	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_19	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_19	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_19	Oc1ccccc1	C108952
PUBCHEM_19	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_19	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_19	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_19	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_19	O=S1(=O)CCCO1	C1120714
PUBCHEM_19	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_19	CC(CO)O	C57556
PUBCHEM_19	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_19	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_19	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_19	Oc1cc(ccc1)O	C108463
PUBCHEM_19	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_19	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_19	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_19	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_19	OC(=O)C=CC=CC	C110441
PUBCHEM_19	C1C(c2ccccc2)O1	C96093
PUBCHEM_19	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_19	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_19	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_19	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_19	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_19	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_19	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_19	OCCN(CCO)CCO	C102716
PUBCHEM_19	OCCOCCOCCO	C112276
PUBCHEM_19	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_19	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_19	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_19	C(=O)(N)N	C57136
PUBCHEM_19	NC(=O)OCC	C51796
PUBCHEM_19	O=C1N(C=C)CCC1	C88120
PUBCHEM_19	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_19	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_19	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_19	OC(=O)CCC	C107926
PUBCHEM_19	CCCCOCCOCCO	C112345
PUBCHEM_19	Oc1ccccc1Cl	C95578
PUBCHEM_19	CCCCCCCCCC(=O)O	C334485
PUBCHEM_19	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_19	O=C(O)CCCCCC	C111148
PUBCHEM_19	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_19	CCCCCC(=O)O	C142621
PUBCHEM_19	CCCCCCCCC(=O)O	C112050
PUBCHEM_19	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_19	CCCCCCCC=O	C124130
PUBCHEM_19	CCCCCCCC(=O)O	C124072
PUBCHEM_19	CCCCC=O	C110623
PUBCHEM_19	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_19	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_19	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_19	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_19	Oc1c(C)cccc1	C95487
PUBCHEM_19	CCC(=NO)C	C96297
PUBCHEM_19	c1ccccc1C(=O)C	C98862
PUBCHEM_19	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_19	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_19	CCN(CCO)CC	C100378
PUBCHEM_19	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_19	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_19	Oc1ccc(C)cc1	C106445
PUBCHEM_19	ClCCO	C107073
PUBCHEM_19	CC(=O)OCCOCC	C111159
PUBCHEM_19	OCCNCCO	C111422
PUBCHEM_19	CCCCCCCCO	C111875
PUBCHEM_19	CCOCCOCCO	C111900
PUBCHEM_19	CCCCCCCCCCO	C112301
PUBCHEM_19	CCCCCCCCCCCCCO	C112709
PUBCHEM_19	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_19	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_19	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_19	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_19	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_19	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_19	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_19	OCCN	C141435
PUBCHEM_19	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_19	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_19	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_19	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_19	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_19	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_19	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_19	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_19	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_19	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_19	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_19	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_19	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_19	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_19	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_19	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_19	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_19	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_19	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_19	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_19	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_19	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_19	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_19	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_19	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_19	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_19	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_19	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_19	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_19	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_19	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_19	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_19	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_19	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_19	Nc1c(OC)cccc1	C90040
PUBCHEM_19	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_19	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_19	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_19	O=S(=O)(OCC)OCC	C64675
PUBCHEM_19	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_19	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_19	O=S(=O)(OC)OC	C77781
PUBCHEM_19	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_19	Oc1c(cccc1C)C	C576261
PUBCHEM_19	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_19	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_19	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_19	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_19	CCOCCO	C110805
PUBCHEM_19	CCCCOCCO	C111762
PUBCHEM_19	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_19	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_19	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_19	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_19	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_19	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_19	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_19	OCCOCCOCCOCC	C112505
PUBCHEM_19	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_19	ON=CC(C)(C)SC	C1646759
PUBCHEM_19	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_19	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_19	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_19	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_19	O(CCOC)CCOC	C111966
PUBCHEM_19	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_19	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_19	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_19	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_19	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_19	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_19	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_19	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_19	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_19	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_19	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_19	OC(CCl)CCl	C96231
PUBCHEM_19	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_19	O(CCOC)CCO	C111773
PUBCHEM_19	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_19	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_19	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_19	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_19	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_19	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_19	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_19	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_19	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_19	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_19	O=C(O)C(CCCC)CC	C149575
PUBCHEM_19	C(=O)(N)NO	C127071
PUBCHEM_19	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_19	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_19	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_19	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_19	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_19	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_19	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_19	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_19	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_19	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_19	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_19	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_19	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_19	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_19	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_19	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_19	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_19	C(OCCOC)COCCOC	C112492
PUBCHEM_19	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_19	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_19	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_19	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_19	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_19	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_19	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_19	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_19	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_19	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_19	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_19	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_19	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_19	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_19	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_19	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_19	OCCC(O)C	C107880
PUBCHEM_19	OC(CC(C)C)C	C108112
PUBCHEM_19	O=C(OC)CCCCCCC	C111115
PUBCHEM_19	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_19	OCCOCCCCCC	C112254
PUBCHEM_19	OCCCCCCCCCCC	C112425
PUBCHEM_19	OCCCCCCCCCCCC	C112538
PUBCHEM_19	OCCCCCCCCCCCCCC	C112721
PUBCHEM_19	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_19	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_19	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_19	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_19	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_19	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_19	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_19	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_19	O=C(C)OCCCCC	C628637
PUBCHEM_19	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_19	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_19	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_19	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_19	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_19	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_19	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_19	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_19	OC(OC(O)CC)CC	C25265718
PUBCHEM_19	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_19	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_19	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_19	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_19	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_19	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_19	OC(OCCCOC)CC	C34590948
PUBCHEM_19	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_19	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_19	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_19	O=C(OC)CC(=O)OC	C108598
PUBCHEM_19	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_19	CCC12N(COC1)COC2	C7747355
PUBCHEM_19	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_19	O=C(N)C(=C)C	C79390
PUBCHEM_19	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_19	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_19	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_19	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_19	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_19	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_19	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_19	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_19	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_19	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_19	O=Cc1ccccc1C=O	C643798
PUBCHEM_19	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_19	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_19	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_19	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_19	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_19	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_19	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_19	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_19	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_19	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_19	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_19	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_19	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_19	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_19	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_19	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_19	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_19	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_19	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_19	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_19	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_19	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_19	O=C(CCC)OCC	C105544
PUBCHEM_19	O=C(OCC)CCCCCC	C106309
PUBCHEM_19	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_19	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_19	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_19	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_19	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_19	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_19	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_19	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_19	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_19	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_19	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_19	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_19	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_19	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_19	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_19	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_19	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_19	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_19	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_19	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_19	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_19	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_19	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_19	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_19	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_19	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_19	O=C(C)NC	C79163
PUBCHEM_19	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_19	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_19	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_19	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_19	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_19	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_19	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_19	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_19	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_19	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_19	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_19	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_19	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_19	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_19	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_19	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_19	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_19	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_19	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_19	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_19	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_19	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_19	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_19	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_19	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_19	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_19	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_19	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_19	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_19	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_19	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_19	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_19	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_19	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_19	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_19	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_19	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_19	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_19	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_19	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_19	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_19	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_19	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_19	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_19	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_19	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_19	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_19	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_19	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_19	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_19	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_19	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_19	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_19	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_19	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_19	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_19	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_19	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_19	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_19	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_19	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_19	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_19	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_19	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_19	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_19	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_19	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_19	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_19	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_19	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_19	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_19	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_19	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_19	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_19	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_19	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_19	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_19	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_19	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_19	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_19	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_19	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_19	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_19	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_19	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_19	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_19	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_19	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_19	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_19	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_19	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_19	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_19	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_19	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_19	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_19	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_19	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_19	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_19	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_19	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_19	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_19	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_19	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_19	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_19	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_19	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_19	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_19	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_19	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_19	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_19	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_19	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_19	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_19	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_19	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_19	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_19	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_19	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_19	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_19	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_19	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_19	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_19	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_19	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_19	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_19	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_19	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_19	C(=O)N	C75127
PUBCHEM_19	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_19	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_19	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_19	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_19	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_19	OCCCBr	C627189
PUBCHEM_19	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_19	C(=O)(C)O	C64197
PUBCHEM_19	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_19	C(CO)C(C)C	C123513
PUBCHEM_19	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_19	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_19	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_19	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_19	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_19	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_19	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_19	NCCOCCOCCN	C929599
PUBCHEM_19	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_19	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_19	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_19	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_19	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_19	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_19	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_19	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_19	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_19	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_19	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_19	O=[Si]=O	C7631869
PUBCHEM_19	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_19	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_19	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_19	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_19	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_19	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_19	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_19	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_19	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_19	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_19	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_19	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_19	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_19	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_19	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_19	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_19	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_19	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_19	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_19	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_19	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_19	OCCC(OC)C	C2517433
PUBCHEM_19	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_19	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_19	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_19	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_19	O=COCC	C109944
PUBCHEM_19	O=C(OCC)c1ccccc1	C93890
PUBCHEM_19	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_19	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_19	O=CCCSC	C3268493
PUBCHEM_19	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_19	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_19	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_19	CC(=O)OCC	C141786
PUBCHEM_19	CC(=O)OCCCC	C123864
PUBCHEM_19	CC(=O)CCC(C)C	C110123
PUBCHEM_19	CC(=O)CC(C)C	C108101
PUBCHEM_19	CC(C)C=O	C78842
PUBCHEM_19	CCCCCC=O	C66251
PUBCHEM_19	CCCC=O	C123728
PUBCHEM_19	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_19	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_19	CCC1CO1	C106887
PUBCHEM_19	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_19	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_19	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_19	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_19	CC1CC(=O)O1	C3068880
PUBCHEM_19	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_19	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_19	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_19	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_19	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_19	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_19	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_19	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_19	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_19	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_19	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_19	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_19	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_19	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_19	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_19	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_19	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_19	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_19	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_19	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_19	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_19	O=C(CCl)CCl	C534076
PUBCHEM_19	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_19	CC(=O)C(=O)O	C127173
PUBCHEM_19	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_19	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_19	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_19	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_19	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_19	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_19	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_19	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_19	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_19	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_19	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_19	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_19	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_19	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_19	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_19	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_19	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_19	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_19	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_19	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_19	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_19	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_19	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_19	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_19	Nc1ccc(OC)cc1	C104949
PUBCHEM_19	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_19	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_19	O=CC=CC=CCCCCC	C25152845
PUBCHEM_19	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_19	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_19	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_19	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_19	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_19	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_19	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_19	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_19	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_19	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_19	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_19	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_19	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_19	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_19	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_19	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_19	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_19	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_19	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_19	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_19	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_19	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_19	OCC=C(C)C	C556821
PUBCHEM_19	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_19	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_19	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_19	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_19	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_19	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_19	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_19	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_19	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_19	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_19	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_19	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_19	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_19	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_19	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_19	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_19	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_19	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_19	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_19	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_19	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_19	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_19	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_19	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_19	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_19	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_19	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_19	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_19	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_19	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_19	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_19	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_19	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_19	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_19	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_19	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_19	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_19	O=CCCCCCCCCC=C	C112458
PUBCHEM_19	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_19	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_19	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_19	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_19	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_19	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_19	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_19	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_19	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_19	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_19	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_19	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_19	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_19	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_19	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_19	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_19	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_19	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_19	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_19	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_19	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_19	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_19	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_19	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_19	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_19	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_19	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_19	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_19	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_19	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_19	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_19	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_19	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_19	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_19	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_19	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_19	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_19	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_19	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_19	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_19	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_19	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_19	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_19	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_19	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_19	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_19	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_19	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_19	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_19	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_19	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_19	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_19	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_19	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_19	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_19	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_19	O=[As]c1ccccc1	C637036
PUBCHEM_19	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_19	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_19	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_19	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_19	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_19	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_19	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_19	O=CN1CCCCC1	C2591868
PUBCHEM_19	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_19	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_19	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_19	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_19	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_19	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_19	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_19	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_19	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_19	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_19	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_19	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_19	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_19	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_19	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_19	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_19	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_19	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_19	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_19	O=C(OCCCCO)C=C	C2478106
PUBCHEM_19	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_19	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_19	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_19	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_19	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_19	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_19	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_19	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_19	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_19	NCCCOCCCCCCCC	C15930662
PUBCHEM_19	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_19	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_19	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_19	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_19	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_19	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_19	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_19	CC1COc2ccccc2N1	C32329207
PUBCHEM_19	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_19	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_19	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_19	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_19	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_19	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_19	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_19	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_19	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_19	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_19	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_19	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_19	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_19	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_19	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_19	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_19	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_19	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_19	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_19	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_19	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_19	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_19	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_19	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_19	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_19	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_19	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_19	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_19	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_19	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_19	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_19	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_19	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_19	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_19	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_19	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_19	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_19	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_19	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_19	CCCCCc1ccco1	C3777693
PUBCHEM_19	CCC(=O)C(=O)CC	C4437518
PUBCHEM_19	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_19	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_20	CC(=O)N	C60355
PUBCHEM_20	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_20	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_20	C=CCO	C107186
PUBCHEM_20	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_20	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_20	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_20	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_20	CC(=O)OCc1ccccc1	C140114
PUBCHEM_20	CC(CNCC(C)O)O	C110974
PUBCHEM_20	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_20	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_20	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_20	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_20	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_20	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_20	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_20	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_20	O=CCCl	C107200
PUBCHEM_20	ClCOC	C107302
PUBCHEM_20	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_20	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_20	O=C1CCCCC1	C108941
PUBCHEM_20	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_20	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_20	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_20	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_20	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_20	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_20	CN(C)C(=O)C	C127195
PUBCHEM_20	CN(CCO)C	C108010
PUBCHEM_20	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_20	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_20	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_20	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_20	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_20	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_20	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_20	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_20	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_20	OC(CO)CCl	C96242
PUBCHEM_20	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_20	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_20	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_20	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_20	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_20	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_20	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_20	COc1ccc(cc1)O	C150765
PUBCHEM_20	NC(=O)OC	C598550
PUBCHEM_20	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_20	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_20	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_20	NC(=O)c1cccnc1	C98920
PUBCHEM_20	OC(=O)c1cccnc1	C59676
PUBCHEM_20	O=[N+](CC)[O-]	C79243
PUBCHEM_20	CN(C(=O)N)N=O	C684935
PUBCHEM_20	CN(N=O)C	C62759
PUBCHEM_20	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_20	O=NN1CCCC1	C930552
PUBCHEM_20	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_20	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_20	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_20	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_20	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_20	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_20	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_20	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_20	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_20	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_20	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_20	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_20	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_20	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_20	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_20	O=P(OC)(OC)OC	C512561
PUBCHEM_20	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_20	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_20	O=CCc1ccccc1	C122781
PUBCHEM_20	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_20	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_20	OCCOCCOCCOCCCC	C143226
PUBCHEM_20	CCCCCCCCCC=O	C112312
PUBCHEM_20	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_20	O=CCCCCCC	C111717
PUBCHEM_20	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_20	CCCCCCCCC=O	C124196
PUBCHEM_20	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_20	OC(=O)CCCC	C109524
PUBCHEM_20	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_20	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_20	CS(=O)C	C67685
PUBCHEM_20	OCCC	C71238
PUBCHEM_20	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_20	OC(C)CN	C78966
PUBCHEM_20	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_20	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_20	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_20	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_20	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_20	O=Cc1ccccc1O	C90028
PUBCHEM_20	Oc1cccc2ccccc12	C90153
PUBCHEM_20	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_20	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_20	ON=C1CCCCC1	C100641
PUBCHEM_20	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_20	OCCN1CCNCC1	C103764
PUBCHEM_20	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_20	Oc1ccc(Cl)cc1	C106489
PUBCHEM_20	CC(O)CC(C)(C)O	C107415
PUBCHEM_20	CCCC(=O)C	C107879
PUBCHEM_20	C1CCCCC1O	C108930
PUBCHEM_20	CCCCCC(=O)C	C110430
PUBCHEM_20	C(O)C#CCO	C110656
PUBCHEM_20	CCNCCO	C110736
PUBCHEM_20	CCCCCCO	C111273
PUBCHEM_20	CCCCCCCO	C111706
PUBCHEM_20	CCCCCCCCCC(=O)C	C112129
PUBCHEM_20	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_20	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_20	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_20	Oc1ccc(CC)cc1	C123079
PUBCHEM_20	CCCCCC(=O)OCC	C123660
PUBCHEM_20	CCCCCCCCCO	C143088
PUBCHEM_20	COc1ccc(OC)cc1	C150787
PUBCHEM_20	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_20	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_20	O=C(OC(C)(C)C)C	C540885
PUBCHEM_20	Oc1ccc(CCC)cc1	C645567
PUBCHEM_20	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_20	C=CC(=O)OCCO	C818611
PUBCHEM_20	CC/C=C\CCO	C928961
PUBCHEM_20	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_20	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_20	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_20	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_20	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_20	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_20	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_20	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_20	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_20	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_20	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_20	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_20	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_20	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_20	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_20	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_20	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_20	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_20	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_20	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_20	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_20	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_20	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_20	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_20	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_20	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_20	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_20	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_20	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_20	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_20	c1(c(CC)cccc1)O	C90006
PUBCHEM_20	c1c(O)cccc1CC	C620177
PUBCHEM_20	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_20	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_20	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_20	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_20	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_20	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_20	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_20	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_20	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_20	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_20	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_20	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_20	c1cccc(OC)c1O	C90051
PUBCHEM_20	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_20	C(=O)(O)C(C)O	C50215
PUBCHEM_20	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_20	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_20	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_20	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_20	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_20	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_20	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_20	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_20	NC(CO)(CO)CO	C77861
PUBCHEM_20	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_20	C[Si](=O)C	C9016006
PUBCHEM_20	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_20	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_20	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_20	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_20	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_20	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_20	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_20	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_20	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_20	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_20	Cc1cc(O)ccc1	C108394
PUBCHEM_20	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_20	OP(=O)(O)O	C7664382
PUBCHEM_20	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_20	CC(O)COC	C107982
PUBCHEM_20	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_20	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_20	O=C(N)N=NC(=O)N	C123773
PUBCHEM_20	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_20	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_20	ON=CCCC	C110690
PUBCHEM_20	OCCCCO	C110634
PUBCHEM_20	O=C(OCCCC)C=C	C141322
PUBCHEM_20	C(OCCCC)C1CO1	C2426086
PUBCHEM_20	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_20	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_20	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_20	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_20	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_20	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_20	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_20	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_20	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_20	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_20	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_20	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_20	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_20	OCNC(=O)NCO	C140954
PUBCHEM_20	Cc1c(C)cccc1O	C526750
PUBCHEM_20	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_20	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_20	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_20	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_20	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_20	C(CC)(C=O)CCCC	C123057
PUBCHEM_20	OCC(C(O)CCC)CC	C94962
PUBCHEM_20	CCC(=CCCC)C=O	C645625
PUBCHEM_20	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_20	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_20	c1c(CO)occ1	C98000
PUBCHEM_20	O=CCCCC=O	C111308
PUBCHEM_20	C(=O)(O)CO	C79141
PUBCHEM_20	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_20	C(C)(C)(O)C#N	C75865
PUBCHEM_20	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_20	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_20	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_20	O(C(C)C)C(=O)C	C108214
PUBCHEM_20	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_20	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_20	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_20	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_20	C1COCCN1	C110918
PUBCHEM_20	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_20	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_20	C(=O)(O)C(=O)O	C144627
PUBCHEM_20	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_20	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_20	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_20	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_20	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_20	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_20	O=C(O)CS	C68111
PUBCHEM_20	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_20	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_20	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_20	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_20	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_20	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_20	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_20	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_20	OCCc1ccccc1	C60128
PUBCHEM_20	O=C(O)c1ccccc1O	C69727
PUBCHEM_20	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_20	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_20	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_20	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_20	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_20	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_20	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_20	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_20	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_20	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_20	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_20	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_20	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_20	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_20	O=C1OCC(C)O1	C108327
PUBCHEM_20	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_20	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_20	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_20	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_20	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_20	O=C(C)OCCOCCCC	C112072
PUBCHEM_20	OCCOCCOCCOC	C112356
PUBCHEM_20	OCCOCCOCCOCCO	C112607
PUBCHEM_20	OCC(CO)(CO)CO	C115775
PUBCHEM_20	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_20	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_20	OC(CCCCCC)C	C123966
PUBCHEM_20	OCC(N)(C)C	C124685
PUBCHEM_20	OCC(C)(C)CO	C126307
PUBCHEM_20	Oc1ccc2ccccc2c1	C135193
PUBCHEM_20	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_20	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_20	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_20	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_20	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_20	O=C1NCCC1	C616455
PUBCHEM_20	O=COC(C)C	C625558
PUBCHEM_20	OC(C)COc1ccccc1	C770354
PUBCHEM_20	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_20	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_20	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_20	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_20	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_20	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_20	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_20	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_20	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_20	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_20	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_20	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_20	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_20	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_20	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_20	OCCOCCC	C2807309
PUBCHEM_20	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_20	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_20	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_20	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_20	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_20	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_20	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_20	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_20	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_20	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_20	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_20	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_20	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_20	CC(CO)O	C25322694
PUBCHEM_20	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_20	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_20	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_20	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_20	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_20	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_20	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_20	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_20	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_20	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_20	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_20	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_20	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_20	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_20	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_20	OCC1OCCC1	C97994
PUBCHEM_20	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_20	CN1CCOCC1	C109024
PUBCHEM_20	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_20	O=C1CCCC1	C120923
PUBCHEM_20	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_20	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_20	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_20	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_20	O=C(C=C(C)C)C	C141797
PUBCHEM_20	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_20	OC(C)COCCC	C1569013
PUBCHEM_20	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_20	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_20	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_20	OCC(CCC)CCCCC	C10042598
PUBCHEM_20	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_20	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_20	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_20	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_20	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_20	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_20	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_20	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_20	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_20	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_20	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_20	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_20	OC(OCCCC)CC	C29387868
PUBCHEM_20	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_20	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_20	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_20	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_20	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_20	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_20	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_20	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_20	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_20	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_20	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_20	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_20	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_20	OCn1nc(C)cc1C	C85264331
PUBCHEM_20	OCCSCCCCCCCC	C3547339
PUBCHEM_20	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_20	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_20	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_20	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_20	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_20	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_20	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_20	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_20	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_20	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_20	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_20	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_20	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_20	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_20	OC1CCCC1	C96413
PUBCHEM_20	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_20	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_20	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_20	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_20	O=S(=O)(N)O	C5329146
PUBCHEM_20	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_20	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_20	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_20	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_20	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_20	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_20	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_20	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_20	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_20	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_20	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_20	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_20	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_20	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_20	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_20	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_20	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_20	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_20	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_20	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_20	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_20	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_20	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_20	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_20	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_20	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_20	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_20	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_20	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_20	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_20	OC(CCCCC)C=C	C3391864
PUBCHEM_20	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_20	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_20	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_20	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_20	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_20	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_20	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_20	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_20	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_20	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_20	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_20	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_20	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_20	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_20	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_20	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_20	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_20	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_20	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_20	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_20	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_20	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_20	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_20	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_20	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_20	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_20	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_20	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_20	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_20	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_20	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_20	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_20	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_20	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_20	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_20	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_20	O=C(CC)OCC	C105373
PUBCHEM_20	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_20	O=C(c1ccccc1O)C	C118934
PUBCHEM_20	O=C1OCC(CC)O1	C4437858
PUBCHEM_20	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_20	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_20	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_20	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_20	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_20	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_20	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_20	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_20	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_20	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_20	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_20	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_20	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_20	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_20	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_20	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_20	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_20	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_20	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_20	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_20	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_20	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_20	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_20	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_20	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_20	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_20	CC(O)COCC	C1569024
PUBCHEM_20	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_20	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_20	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_20	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_20	Oc1ccccc1CN(C)C	C120650
PUBCHEM_20	O=C1CCC(O1)CC	C695067
PUBCHEM_20	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_20	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_20	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_20	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_20	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_20	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_20	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_20	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_20	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_20	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_20	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_20	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_20	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_20	O=C/C=C/CCC	C6728263
PUBCHEM_20	O1C=CCCC1	C110872
PUBCHEM_20	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_20	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_20	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_20	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_20	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_20	OCC=Cc1ccccc1	C104541
PUBCHEM_20	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_20	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_20	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_20	NCCCN1CCOCC1	C123002
PUBCHEM_20	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_20	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_20	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_20	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_20	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_20	O=C(CCC)OCCCCC	C540181
PUBCHEM_20	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_20	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_20	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_20	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_20	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_20	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_20	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_20	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_20	N#Cc1c(O)cccc1	C611201
PUBCHEM_20	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_20	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_20	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_20	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_20	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_20	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_20	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_20	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_20	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_20	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_20	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_20	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_20	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_20	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_20	OP(OCC)OCC	C762049
PUBCHEM_20	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_20	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_20	OCCOCC(CC)CCCC	C1559359
PUBCHEM_20	O=C(CC)CCCCC	C106683
PUBCHEM_20	OCCN(CC)CCO	C139877
PUBCHEM_20	CCOC(OCC)OCC	C122510
PUBCHEM_20	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_20	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_20	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_20	O=C(CF)O	C144490
PUBCHEM_20	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_20	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_20	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_20	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_20	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_20	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_20	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_20	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_20	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_20	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_20	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_20	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_20	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_20	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_20	OC(C)C(=O)OCCCC	C138227
PUBCHEM_20	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_20	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_20	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_20	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_20	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_20	Oc1c(OCC)cccc1	C94713
PUBCHEM_20	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_20	COc1ccc(CCC)cc1	C104450
PUBCHEM_20	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_20	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_20	CO[Si](C)(C)OC	C1112396
PUBCHEM_20	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_20	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_20	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_20	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_20	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_20	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_20	OC(CO)c1ccccc1	C93561
PUBCHEM_20	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_20	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_20	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_20	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_20	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_20	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_20	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_20	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_20	O=C(N)Nc1ccccc1	C64108
PUBCHEM_20	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_20	O=C(C)OCCCCCCCC	C112141
PUBCHEM_20	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_20	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_20	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_20	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_20	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_20	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_20	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_20	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_20	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_20	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_20	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_20	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_20	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_20	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_20	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_20	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_20	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_20	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_20	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_20	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_20	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_20	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_20	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_20	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_20	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_20	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_20	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_20	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_20	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_20	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_20	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_20	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_20	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_20	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_20	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_20	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_20	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_20	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_20	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_20	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_20	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_20	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_20	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_20	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_20	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_20	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_20	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_20	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_20	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_20	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_20	OCCOCC(C)OCCO	C9003116
PUBCHEM_20	O=C1OC(CCC)CC1	C105215
PUBCHEM_20	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_20	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_20	C=O	C50000
PUBCHEM_20	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_20	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_20	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_20	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_20	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_20	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_20	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_20	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_20	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_20	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_20	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_20	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_20	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_20	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_20	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_20	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_20	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_20	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_20	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_20	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_20	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_20	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_20	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_20	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_20	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_20	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_20	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_20	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_20	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_20	OB(O)O	C10043353
PUBCHEM_20	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_20	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_20	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_20	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_20	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_20	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_20	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_20	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_20	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_20	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_20	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_20	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_20	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_20	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_20	C[As](=O)(C)O	C75605
PUBCHEM_20	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_20	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_20	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_20	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_20	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_20	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_20	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_20	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_20	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_20	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_20	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_20	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_20	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_20	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_20	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_20	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_20	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_20	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_20	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_20	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_20	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_20	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_20	c1ccccc1OCCO	C122996
PUBCHEM_20	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_20	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_20	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_20	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_20	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_20	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_20	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_20	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_20	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_20	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_20	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_20	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_20	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_20	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_20	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_20	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_20	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_20	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_20	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_20	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_20	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_20	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_20	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_20	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_20	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_20	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_20	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_20	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_20	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_20	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_20	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_20	ClCCP(=O)(O)O	C16672870
PUBCHEM_20	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_20	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_20	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_20	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_20	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_20	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_20	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_20	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_20	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_20	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_20	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_20	NP(=O)(OC)SC	C10265926
PUBCHEM_20	OCCOC	C109864
PUBCHEM_20	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_20	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_20	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_20	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_20	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_20	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_20	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_20	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_20	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_20	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_20	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_20	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_20	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_20	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_20	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_20	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_20	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_20	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_20	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_20	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_20	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_20	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_20	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_20	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_20	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_20	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_20	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_20	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_20	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_20	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_20	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_20	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_20	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_20	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_20	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_20	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_20	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_20	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_20	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_20	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_20	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_20	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_20	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_20	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_20	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_20	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_20	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_20	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_20	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_20	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_20	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_20	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_20	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_20	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_20	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_20	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_20	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_20	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_20	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_20	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_20	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_20	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_20	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_20	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_20	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_20	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_20	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_20	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_20	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_20	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_20	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_20	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_20	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_20	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_20	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_20	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_20	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_20	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_20	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_20	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_20	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_20	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_20	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_20	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_20	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_20	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_20	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_20	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_20	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_20	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_20	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_20	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_20	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_20	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_20	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_20	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_20	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_20	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_20	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_20	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_20	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_20	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_20	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_20	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_20	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_20	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_20	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_20	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_20	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_20	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_20	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_20	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_20	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_20	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_20	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_20	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_20	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_20	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_20	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_20	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_20	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_20	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_20	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_20	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_20	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_20	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_20	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_20	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_20	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_20	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_20	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_20	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_20	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_20	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_20	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_20	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_20	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_20	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_20	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_20	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_20	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_20	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_20	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_20	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_20	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_20	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_20	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_20	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_20	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_20	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_20	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_20	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_20	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_20	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_20	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_20	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_20	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_20	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_20	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_20	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_20	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_20	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_20	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_20	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_20	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_20	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_20	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_20	NC(=O)C=C	C79061
PUBCHEM_20	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_20	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_20	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_20	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_20	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_20	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_20	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_20	c1coc2c1cccc2	C271896
PUBCHEM_20	OC(=O)c1ccccc1	C65850
PUBCHEM_20	OCc1ccccc1	C100516
PUBCHEM_20	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_20	ClCCOCCCl	C111444
PUBCHEM_20	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_20	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_20	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_20	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_20	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_20	O=C1CCCO1	C96480
PUBCHEM_20	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_20	O=C1CCCCCN1	C105602
PUBCHEM_20	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_20	Oc1c(cccc1)O	C120809
PUBCHEM_20	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_20	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_20	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_20	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_20	O=C(c1ccccc1)CCl	C532274
PUBCHEM_20	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_20	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_20	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_20	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_20	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_20	Nc1cc(ccc1OC)C	C120718
PUBCHEM_20	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_20	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_20	OC(=O)C(Cl)Cl	C79436
PUBCHEM_20	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_20	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_20	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_20	OCCOCCO	C111466
PUBCHEM_20	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_20	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_20	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_20	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_20	O=C(N(C)C)Cl	C79447
PUBCHEM_20	CN(C=O)C	C68122
PUBCHEM_20	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_20	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_20	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_20	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_20	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_20	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_20	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_20	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_20	C(CO)O	C107211
PUBCHEM_20	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_20	CCC(CCCC)CO	C104767
PUBCHEM_20	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_20	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_20	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_20	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_20	O=Cc1ccco1	C98011
PUBCHEM_20	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_20	OCC(O)CO	C56815
PUBCHEM_20	OCC1CO1	C556525
PUBCHEM_20	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_20	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_20	Oc1ccc(cc1)O	C123319
PUBCHEM_20	Oc1cccc2cccnc12	C148243
PUBCHEM_20	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_20	O=C(c1ccncc1)NN	C54853
PUBCHEM_20	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_20	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_20	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_20	CS(=O)(=O)OC	C66273
PUBCHEM_20	O=C1N(CCC1)C	C872504
PUBCHEM_20	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_20	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_20	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_20	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_20	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_20	O=N[O-].[Na+]	C7632000
PUBCHEM_20	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_20	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_20	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_20	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_20	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_20	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_20	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_20	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_20	O=NN(CCCC)CCCC	C924163
PUBCHEM_20	CCN(CC)N=O	C55185
PUBCHEM_20	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_20	O=NN(CCC)CCC	C621647
PUBCHEM_20	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_20	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_20	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_20	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_20	Oc1ccccc1	C108952
PUBCHEM_20	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_20	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_20	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_20	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_20	O=S1(=O)CCCO1	C1120714
PUBCHEM_20	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_20	CC(CO)O	C57556
PUBCHEM_20	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_20	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_20	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_20	Oc1cc(ccc1)O	C108463
PUBCHEM_20	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_20	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_20	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_20	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_20	OC(=O)C=CC=CC	C110441
PUBCHEM_20	C1C(c2ccccc2)O1	C96093
PUBCHEM_20	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_20	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_20	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_20	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_20	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_20	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_20	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_20	OCCN(CCO)CCO	C102716
PUBCHEM_20	OCCOCCOCCO	C112276
PUBCHEM_20	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_20	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_20	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_20	C(=O)(N)N	C57136
PUBCHEM_20	NC(=O)OCC	C51796
PUBCHEM_20	O=C1N(C=C)CCC1	C88120
PUBCHEM_20	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_20	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_20	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_20	OC(=O)CCC	C107926
PUBCHEM_20	CCCCOCCOCCO	C112345
PUBCHEM_20	Oc1ccccc1Cl	C95578
PUBCHEM_20	CCCCCCCCCC(=O)O	C334485
PUBCHEM_20	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_20	O=C(O)CCCCCC	C111148
PUBCHEM_20	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_20	CCCCCC(=O)O	C142621
PUBCHEM_20	CCCCCCCCC(=O)O	C112050
PUBCHEM_20	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_20	CCCCCCCC=O	C124130
PUBCHEM_20	CCCCCCCC(=O)O	C124072
PUBCHEM_20	CCCCC=O	C110623
PUBCHEM_20	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_20	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_20	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_20	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_20	Oc1c(C)cccc1	C95487
PUBCHEM_20	CCC(=NO)C	C96297
PUBCHEM_20	c1ccccc1C(=O)C	C98862
PUBCHEM_20	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_20	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_20	CCN(CCO)CC	C100378
PUBCHEM_20	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_20	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_20	Oc1ccc(C)cc1	C106445
PUBCHEM_20	ClCCO	C107073
PUBCHEM_20	CC(=O)OCCOCC	C111159
PUBCHEM_20	OCCNCCO	C111422
PUBCHEM_20	CCCCCCCCO	C111875
PUBCHEM_20	CCOCCOCCO	C111900
PUBCHEM_20	CCCCCCCCCCO	C112301
PUBCHEM_20	CCCCCCCCCCCCCO	C112709
PUBCHEM_20	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_20	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_20	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_20	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_20	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_20	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_20	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_20	OCCN	C141435
PUBCHEM_20	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_20	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_20	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_20	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_20	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_20	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_20	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_20	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_20	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_20	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_20	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_20	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_20	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_20	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_20	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_20	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_20	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_20	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_20	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_20	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_20	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_20	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_20	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_20	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_20	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_20	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_20	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_20	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_20	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_20	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_20	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_20	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_20	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_20	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_20	Nc1c(OC)cccc1	C90040
PUBCHEM_20	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_20	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_20	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_20	O=S(=O)(OCC)OCC	C64675
PUBCHEM_20	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_20	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_20	O=S(=O)(OC)OC	C77781
PUBCHEM_20	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_20	Oc1c(cccc1C)C	C576261
PUBCHEM_20	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_20	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_20	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_20	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_20	CCOCCO	C110805
PUBCHEM_20	CCCCOCCO	C111762
PUBCHEM_20	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_20	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_20	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_20	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_20	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_20	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_20	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_20	OCCOCCOCCOCC	C112505
PUBCHEM_20	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_20	ON=CC(C)(C)SC	C1646759
PUBCHEM_20	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_20	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_20	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_20	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_20	O(CCOC)CCOC	C111966
PUBCHEM_20	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_20	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_20	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_20	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_20	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_20	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_20	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_20	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_20	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_20	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_20	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_20	OC(CCl)CCl	C96231
PUBCHEM_20	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_20	O(CCOC)CCO	C111773
PUBCHEM_20	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_20	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_20	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_20	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_20	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_20	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_20	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_20	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_20	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_20	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_20	O=C(O)C(CCCC)CC	C149575
PUBCHEM_20	C(=O)(N)NO	C127071
PUBCHEM_20	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_20	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_20	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_20	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_20	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_20	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_20	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_20	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_20	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_20	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_20	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_20	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_20	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_20	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_20	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_20	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_20	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_20	C(OCCOC)COCCOC	C112492
PUBCHEM_20	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_20	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_20	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_20	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_20	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_20	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_20	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_20	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_20	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_20	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_20	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_20	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_20	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_20	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_20	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_20	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_20	OCCC(O)C	C107880
PUBCHEM_20	OC(CC(C)C)C	C108112
PUBCHEM_20	O=C(OC)CCCCCCC	C111115
PUBCHEM_20	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_20	OCCOCCCCCC	C112254
PUBCHEM_20	OCCCCCCCCCCC	C112425
PUBCHEM_20	OCCCCCCCCCCCC	C112538
PUBCHEM_20	OCCCCCCCCCCCCCC	C112721
PUBCHEM_20	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_20	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_20	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_20	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_20	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_20	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_20	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_20	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_20	O=C(C)OCCCCC	C628637
PUBCHEM_20	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_20	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_20	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_20	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_20	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_20	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_20	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_20	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_20	OC(OC(O)CC)CC	C25265718
PUBCHEM_20	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_20	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_20	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_20	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_20	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_20	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_20	OC(OCCCOC)CC	C34590948
PUBCHEM_20	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_20	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_20	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_20	O=C(OC)CC(=O)OC	C108598
PUBCHEM_20	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_20	CCC12N(COC1)COC2	C7747355
PUBCHEM_20	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_20	O=C(N)C(=C)C	C79390
PUBCHEM_20	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_20	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_20	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_20	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_20	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_20	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_20	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_20	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_20	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_20	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_20	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_20	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_20	O=Cc1ccccc1C=O	C643798
PUBCHEM_20	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_20	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_20	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_20	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_20	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_20	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_20	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_20	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_20	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_20	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_20	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_20	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_20	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_20	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_20	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_20	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_20	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_20	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_20	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_20	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_20	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_20	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_20	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_20	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_20	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_20	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_20	O=C(CCC)OCC	C105544
PUBCHEM_20	O=C(OCC)CCCCCC	C106309
PUBCHEM_20	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_20	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_20	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_20	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_20	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_20	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_20	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_20	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_20	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_20	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_20	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_20	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_20	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_20	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_20	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_20	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_20	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_20	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_20	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_20	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_20	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_20	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_20	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_20	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_20	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_20	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_20	O=C(C)NC	C79163
PUBCHEM_20	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_20	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_20	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_20	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_20	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_20	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_20	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_20	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_20	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_20	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_20	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_20	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_20	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_20	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_20	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_20	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_20	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_20	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_20	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_20	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_20	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_20	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_20	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_20	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_20	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_20	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_20	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_20	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_20	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_20	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_20	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_20	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_20	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_20	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_20	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_20	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_20	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_20	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_20	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_20	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_20	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_20	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_20	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_20	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_20	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_20	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_20	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_20	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_20	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_20	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_20	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_20	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_20	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_20	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_20	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_20	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_20	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_20	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_20	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_20	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_20	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_20	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_20	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_20	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_20	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_20	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_20	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_20	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_20	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_20	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_20	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_20	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_20	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_20	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_20	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_20	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_20	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_20	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_20	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_20	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_20	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_20	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_20	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_20	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_20	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_20	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_20	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_20	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_20	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_20	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_20	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_20	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_20	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_20	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_20	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_20	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_20	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_20	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_20	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_20	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_20	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_20	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_20	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_20	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_20	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_20	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_20	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_20	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_20	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_20	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_20	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_20	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_20	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_20	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_20	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_20	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_20	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_20	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_20	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_20	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_20	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_20	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_20	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_20	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_20	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_20	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_20	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_20	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_20	C(=O)N	C75127
PUBCHEM_20	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_20	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_20	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_20	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_20	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_20	OCCCBr	C627189
PUBCHEM_20	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_20	C(=O)(C)O	C64197
PUBCHEM_20	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_20	C(CO)C(C)C	C123513
PUBCHEM_20	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_20	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_20	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_20	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_20	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_20	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_20	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_20	NCCOCCOCCN	C929599
PUBCHEM_20	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_20	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_20	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_20	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_20	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_20	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_20	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_20	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_20	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_20	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_20	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_20	O=[Si]=O	C7631869
PUBCHEM_20	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_20	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_20	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_20	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_20	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_20	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_20	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_20	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_20	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_20	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_20	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_20	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_20	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_20	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_20	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_20	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_20	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_20	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_20	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_20	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_20	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_20	OCCC(OC)C	C2517433
PUBCHEM_20	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_20	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_20	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_20	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_20	O=COCC	C109944
PUBCHEM_20	O=C(OCC)c1ccccc1	C93890
PUBCHEM_20	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_20	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_20	O=CCCSC	C3268493
PUBCHEM_20	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_20	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_20	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_20	CC(=O)OCC	C141786
PUBCHEM_20	CC(=O)OCCCC	C123864
PUBCHEM_20	CC(=O)CCC(C)C	C110123
PUBCHEM_20	CC(=O)CC(C)C	C108101
PUBCHEM_20	CC(C)C=O	C78842
PUBCHEM_20	CCCCCC=O	C66251
PUBCHEM_20	CCCC=O	C123728
PUBCHEM_20	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_20	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_20	CCC1CO1	C106887
PUBCHEM_20	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_20	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_20	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_20	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_20	CC1CC(=O)O1	C3068880
PUBCHEM_20	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_20	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_20	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_20	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_20	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_20	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_20	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_20	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_20	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_20	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_20	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_20	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_20	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_20	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_20	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_20	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_20	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_20	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_20	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_20	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_20	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_20	O=C(CCl)CCl	C534076
PUBCHEM_20	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_20	CC(=O)C(=O)O	C127173
PUBCHEM_20	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_20	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_20	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_20	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_20	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_20	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_20	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_20	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_20	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_20	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_20	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_20	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_20	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_20	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_20	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_20	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_20	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_20	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_20	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_20	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_20	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_20	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_20	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_20	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_20	Nc1ccc(OC)cc1	C104949
PUBCHEM_20	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_20	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_20	O=CC=CC=CCCCCC	C25152845
PUBCHEM_20	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_20	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_20	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_20	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_20	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_20	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_20	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_20	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_20	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_20	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_20	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_20	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_20	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_20	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_20	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_20	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_20	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_20	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_20	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_20	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_20	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_20	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_20	OCC=C(C)C	C556821
PUBCHEM_20	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_20	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_20	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_20	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_20	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_20	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_20	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_20	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_20	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_20	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_20	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_20	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_20	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_20	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_20	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_20	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_20	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_20	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_20	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_20	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_20	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_20	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_20	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_20	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_20	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_20	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_20	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_20	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_20	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_20	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_20	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_20	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_20	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_20	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_20	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_20	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_20	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_20	O=CCCCCCCCCC=C	C112458
PUBCHEM_20	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_20	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_20	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_20	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_20	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_20	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_20	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_20	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_20	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_20	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_20	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_20	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_20	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_20	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_20	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_20	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_20	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_20	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_20	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_20	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_20	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_20	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_20	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_20	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_20	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_20	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_20	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_20	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_20	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_20	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_20	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_20	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_20	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_20	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_20	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_20	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_20	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_20	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_20	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_20	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_20	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_20	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_20	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_20	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_20	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_20	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_20	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_20	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_20	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_20	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_20	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_20	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_20	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_20	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_20	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_20	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_20	O=[As]c1ccccc1	C637036
PUBCHEM_20	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_20	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_20	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_20	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_20	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_20	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_20	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_20	O=CN1CCCCC1	C2591868
PUBCHEM_20	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_20	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_20	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_20	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_20	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_20	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_20	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_20	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_20	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_20	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_20	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_20	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_20	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_20	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_20	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_20	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_20	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_20	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_20	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_20	O=C(OCCCCO)C=C	C2478106
PUBCHEM_20	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_20	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_20	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_20	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_20	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_20	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_20	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_20	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_20	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_20	NCCCOCCCCCCCC	C15930662
PUBCHEM_20	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_20	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_20	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_20	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_20	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_20	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_20	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_20	CC1COc2ccccc2N1	C32329207
PUBCHEM_20	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_20	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_20	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_20	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_20	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_20	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_20	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_20	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_20	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_20	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_20	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_20	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_20	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_20	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_20	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_20	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_20	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_20	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_20	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_20	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_20	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_20	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_20	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_20	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_20	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_20	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_20	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_20	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_20	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_20	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_20	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_20	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_20	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_20	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_20	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_20	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_20	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_20	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_20	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_20	CCCCCc1ccco1	C3777693
PUBCHEM_20	CCC(=O)C(=O)CC	C4437518
PUBCHEM_20	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_20	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_21	CC(=O)N	C60355
PUBCHEM_21	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_21	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_21	C=CCO	C107186
PUBCHEM_21	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_21	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_21	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_21	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_21	CC(=O)OCc1ccccc1	C140114
PUBCHEM_21	CC(CNCC(C)O)O	C110974
PUBCHEM_21	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_21	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_21	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_21	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_21	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_21	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_21	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_21	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_21	O=CCCl	C107200
PUBCHEM_21	ClCOC	C107302
PUBCHEM_21	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_21	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_21	O=C1CCCCC1	C108941
PUBCHEM_21	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_21	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_21	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_21	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_21	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_21	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_21	CN(C)C(=O)C	C127195
PUBCHEM_21	CN(CCO)C	C108010
PUBCHEM_21	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_21	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_21	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_21	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_21	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_21	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_21	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_21	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_21	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_21	OC(CO)CCl	C96242
PUBCHEM_21	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_21	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_21	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_21	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_21	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_21	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_21	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_21	COc1ccc(cc1)O	C150765
PUBCHEM_21	NC(=O)OC	C598550
PUBCHEM_21	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_21	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_21	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_21	NC(=O)c1cccnc1	C98920
PUBCHEM_21	OC(=O)c1cccnc1	C59676
PUBCHEM_21	O=[N+](CC)[O-]	C79243
PUBCHEM_21	CN(C(=O)N)N=O	C684935
PUBCHEM_21	CN(N=O)C	C62759
PUBCHEM_21	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_21	O=NN1CCCC1	C930552
PUBCHEM_21	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_21	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_21	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_21	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_21	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_21	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_21	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_21	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_21	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_21	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_21	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_21	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_21	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_21	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_21	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_21	O=P(OC)(OC)OC	C512561
PUBCHEM_21	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_21	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_21	O=CCc1ccccc1	C122781
PUBCHEM_21	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_21	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_21	OCCOCCOCCOCCCC	C143226
PUBCHEM_21	CCCCCCCCCC=O	C112312
PUBCHEM_21	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_21	O=CCCCCCC	C111717
PUBCHEM_21	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_21	CCCCCCCCC=O	C124196
PUBCHEM_21	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_21	OC(=O)CCCC	C109524
PUBCHEM_21	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_21	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_21	CS(=O)C	C67685
PUBCHEM_21	OCCC	C71238
PUBCHEM_21	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_21	OC(C)CN	C78966
PUBCHEM_21	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_21	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_21	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_21	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_21	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_21	O=Cc1ccccc1O	C90028
PUBCHEM_21	Oc1cccc2ccccc12	C90153
PUBCHEM_21	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_21	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_21	ON=C1CCCCC1	C100641
PUBCHEM_21	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_21	OCCN1CCNCC1	C103764
PUBCHEM_21	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_21	Oc1ccc(Cl)cc1	C106489
PUBCHEM_21	CC(O)CC(C)(C)O	C107415
PUBCHEM_21	CCCC(=O)C	C107879
PUBCHEM_21	C1CCCCC1O	C108930
PUBCHEM_21	CCCCCC(=O)C	C110430
PUBCHEM_21	C(O)C#CCO	C110656
PUBCHEM_21	CCNCCO	C110736
PUBCHEM_21	CCCCCCO	C111273
PUBCHEM_21	CCCCCCCO	C111706
PUBCHEM_21	CCCCCCCCCC(=O)C	C112129
PUBCHEM_21	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_21	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_21	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_21	Oc1ccc(CC)cc1	C123079
PUBCHEM_21	CCCCCC(=O)OCC	C123660
PUBCHEM_21	CCCCCCCCCO	C143088
PUBCHEM_21	COc1ccc(OC)cc1	C150787
PUBCHEM_21	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_21	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_21	O=C(OC(C)(C)C)C	C540885
PUBCHEM_21	Oc1ccc(CCC)cc1	C645567
PUBCHEM_21	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_21	C=CC(=O)OCCO	C818611
PUBCHEM_21	CC/C=C\CCO	C928961
PUBCHEM_21	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_21	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_21	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_21	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_21	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_21	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_21	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_21	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_21	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_21	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_21	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_21	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_21	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_21	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_21	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_21	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_21	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_21	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_21	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_21	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_21	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_21	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_21	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_21	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_21	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_21	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_21	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_21	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_21	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_21	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_21	c1(c(CC)cccc1)O	C90006
PUBCHEM_21	c1c(O)cccc1CC	C620177
PUBCHEM_21	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_21	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_21	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_21	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_21	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_21	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_21	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_21	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_21	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_21	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_21	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_21	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_21	c1cccc(OC)c1O	C90051
PUBCHEM_21	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_21	C(=O)(O)C(C)O	C50215
PUBCHEM_21	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_21	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_21	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_21	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_21	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_21	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_21	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_21	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_21	NC(CO)(CO)CO	C77861
PUBCHEM_21	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_21	C[Si](=O)C	C9016006
PUBCHEM_21	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_21	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_21	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_21	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_21	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_21	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_21	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_21	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_21	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_21	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_21	Cc1cc(O)ccc1	C108394
PUBCHEM_21	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_21	OP(=O)(O)O	C7664382
PUBCHEM_21	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_21	CC(O)COC	C107982
PUBCHEM_21	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_21	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_21	O=C(N)N=NC(=O)N	C123773
PUBCHEM_21	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_21	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_21	ON=CCCC	C110690
PUBCHEM_21	OCCCCO	C110634
PUBCHEM_21	O=C(OCCCC)C=C	C141322
PUBCHEM_21	C(OCCCC)C1CO1	C2426086
PUBCHEM_21	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_21	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_21	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_21	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_21	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_21	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_21	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_21	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_21	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_21	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_21	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_21	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_21	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_21	OCNC(=O)NCO	C140954
PUBCHEM_21	Cc1c(C)cccc1O	C526750
PUBCHEM_21	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_21	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_21	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_21	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_21	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_21	C(CC)(C=O)CCCC	C123057
PUBCHEM_21	OCC(C(O)CCC)CC	C94962
PUBCHEM_21	CCC(=CCCC)C=O	C645625
PUBCHEM_21	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_21	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_21	c1c(CO)occ1	C98000
PUBCHEM_21	O=CCCCC=O	C111308
PUBCHEM_21	C(=O)(O)CO	C79141
PUBCHEM_21	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_21	C(C)(C)(O)C#N	C75865
PUBCHEM_21	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_21	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_21	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_21	O(C(C)C)C(=O)C	C108214
PUBCHEM_21	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_21	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_21	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_21	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_21	C1COCCN1	C110918
PUBCHEM_21	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_21	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_21	C(=O)(O)C(=O)O	C144627
PUBCHEM_21	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_21	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_21	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_21	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_21	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_21	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_21	O=C(O)CS	C68111
PUBCHEM_21	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_21	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_21	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_21	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_21	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_21	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_21	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_21	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_21	OCCc1ccccc1	C60128
PUBCHEM_21	O=C(O)c1ccccc1O	C69727
PUBCHEM_21	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_21	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_21	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_21	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_21	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_21	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_21	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_21	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_21	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_21	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_21	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_21	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_21	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_21	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_21	O=C1OCC(C)O1	C108327
PUBCHEM_21	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_21	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_21	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_21	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_21	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_21	O=C(C)OCCOCCCC	C112072
PUBCHEM_21	OCCOCCOCCOC	C112356
PUBCHEM_21	OCCOCCOCCOCCO	C112607
PUBCHEM_21	OCC(CO)(CO)CO	C115775
PUBCHEM_21	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_21	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_21	OC(CCCCCC)C	C123966
PUBCHEM_21	OCC(N)(C)C	C124685
PUBCHEM_21	OCC(C)(C)CO	C126307
PUBCHEM_21	Oc1ccc2ccccc2c1	C135193
PUBCHEM_21	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_21	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_21	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_21	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_21	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_21	O=C1NCCC1	C616455
PUBCHEM_21	O=COC(C)C	C625558
PUBCHEM_21	OC(C)COc1ccccc1	C770354
PUBCHEM_21	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_21	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_21	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_21	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_21	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_21	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_21	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_21	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_21	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_21	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_21	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_21	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_21	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_21	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_21	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_21	OCCOCCC	C2807309
PUBCHEM_21	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_21	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_21	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_21	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_21	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_21	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_21	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_21	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_21	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_21	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_21	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_21	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_21	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_21	CC(CO)O	C25322694
PUBCHEM_21	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_21	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_21	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_21	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_21	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_21	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_21	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_21	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_21	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_21	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_21	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_21	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_21	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_21	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_21	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_21	OCC1OCCC1	C97994
PUBCHEM_21	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_21	CN1CCOCC1	C109024
PUBCHEM_21	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_21	O=C1CCCC1	C120923
PUBCHEM_21	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_21	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_21	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_21	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_21	O=C(C=C(C)C)C	C141797
PUBCHEM_21	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_21	OC(C)COCCC	C1569013
PUBCHEM_21	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_21	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_21	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_21	OCC(CCC)CCCCC	C10042598
PUBCHEM_21	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_21	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_21	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_21	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_21	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_21	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_21	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_21	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_21	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_21	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_21	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_21	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_21	OC(OCCCC)CC	C29387868
PUBCHEM_21	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_21	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_21	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_21	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_21	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_21	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_21	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_21	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_21	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_21	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_21	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_21	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_21	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_21	OCn1nc(C)cc1C	C85264331
PUBCHEM_21	OCCSCCCCCCCC	C3547339
PUBCHEM_21	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_21	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_21	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_21	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_21	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_21	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_21	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_21	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_21	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_21	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_21	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_21	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_21	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_21	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_21	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_21	OC1CCCC1	C96413
PUBCHEM_21	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_21	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_21	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_21	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_21	O=S(=O)(N)O	C5329146
PUBCHEM_21	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_21	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_21	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_21	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_21	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_21	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_21	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_21	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_21	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_21	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_21	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_21	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_21	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_21	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_21	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_21	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_21	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_21	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_21	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_21	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_21	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_21	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_21	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_21	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_21	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_21	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_21	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_21	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_21	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_21	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_21	OC(CCCCC)C=C	C3391864
PUBCHEM_21	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_21	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_21	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_21	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_21	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_21	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_21	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_21	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_21	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_21	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_21	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_21	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_21	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_21	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_21	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_21	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_21	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_21	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_21	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_21	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_21	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_21	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_21	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_21	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_21	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_21	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_21	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_21	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_21	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_21	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_21	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_21	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_21	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_21	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_21	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_21	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_21	O=C(CC)OCC	C105373
PUBCHEM_21	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_21	O=C(c1ccccc1O)C	C118934
PUBCHEM_21	O=C1OCC(CC)O1	C4437858
PUBCHEM_21	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_21	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_21	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_21	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_21	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_21	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_21	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_21	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_21	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_21	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_21	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_21	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_21	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_21	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_21	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_21	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_21	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_21	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_21	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_21	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_21	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_21	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_21	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_21	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_21	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_21	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_21	CC(O)COCC	C1569024
PUBCHEM_21	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_21	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_21	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_21	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_21	Oc1ccccc1CN(C)C	C120650
PUBCHEM_21	O=C1CCC(O1)CC	C695067
PUBCHEM_21	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_21	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_21	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_21	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_21	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_21	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_21	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_21	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_21	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_21	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_21	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_21	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_21	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_21	O=C/C=C/CCC	C6728263
PUBCHEM_21	O1C=CCCC1	C110872
PUBCHEM_21	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_21	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_21	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_21	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_21	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_21	OCC=Cc1ccccc1	C104541
PUBCHEM_21	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_21	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_21	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_21	NCCCN1CCOCC1	C123002
PUBCHEM_21	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_21	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_21	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_21	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_21	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_21	O=C(CCC)OCCCCC	C540181
PUBCHEM_21	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_21	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_21	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_21	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_21	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_21	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_21	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_21	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_21	N#Cc1c(O)cccc1	C611201
PUBCHEM_21	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_21	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_21	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_21	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_21	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_21	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_21	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_21	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_21	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_21	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_21	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_21	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_21	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_21	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_21	OP(OCC)OCC	C762049
PUBCHEM_21	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_21	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_21	OCCOCC(CC)CCCC	C1559359
PUBCHEM_21	O=C(CC)CCCCC	C106683
PUBCHEM_21	OCCN(CC)CCO	C139877
PUBCHEM_21	CCOC(OCC)OCC	C122510
PUBCHEM_21	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_21	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_21	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_21	O=C(CF)O	C144490
PUBCHEM_21	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_21	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_21	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_21	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_21	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_21	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_21	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_21	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_21	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_21	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_21	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_21	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_21	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_21	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_21	OC(C)C(=O)OCCCC	C138227
PUBCHEM_21	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_21	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_21	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_21	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_21	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_21	Oc1c(OCC)cccc1	C94713
PUBCHEM_21	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_21	COc1ccc(CCC)cc1	C104450
PUBCHEM_21	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_21	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_21	CO[Si](C)(C)OC	C1112396
PUBCHEM_21	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_21	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_21	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_21	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_21	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_21	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_21	OC(CO)c1ccccc1	C93561
PUBCHEM_21	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_21	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_21	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_21	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_21	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_21	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_21	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_21	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_21	O=C(N)Nc1ccccc1	C64108
PUBCHEM_21	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_21	O=C(C)OCCCCCCCC	C112141
PUBCHEM_21	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_21	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_21	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_21	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_21	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_21	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_21	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_21	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_21	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_21	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_21	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_21	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_21	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_21	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_21	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_21	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_21	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_21	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_21	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_21	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_21	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_21	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_21	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_21	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_21	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_21	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_21	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_21	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_21	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_21	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_21	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_21	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_21	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_21	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_21	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_21	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_21	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_21	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_21	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_21	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_21	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_21	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_21	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_21	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_21	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_21	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_21	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_21	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_21	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_21	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_21	OCCOCC(C)OCCO	C9003116
PUBCHEM_21	O=C1OC(CCC)CC1	C105215
PUBCHEM_21	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_21	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_21	C=O	C50000
PUBCHEM_21	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_21	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_21	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_21	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_21	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_21	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_21	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_21	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_21	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_21	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_21	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_21	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_21	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_21	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_21	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_21	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_21	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_21	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_21	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_21	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_21	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_21	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_21	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_21	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_21	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_21	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_21	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_21	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_21	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_21	OB(O)O	C10043353
PUBCHEM_21	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_21	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_21	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_21	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_21	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_21	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_21	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_21	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_21	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_21	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_21	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_21	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_21	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_21	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_21	C[As](=O)(C)O	C75605
PUBCHEM_21	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_21	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_21	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_21	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_21	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_21	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_21	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_21	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_21	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_21	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_21	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_21	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_21	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_21	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_21	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_21	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_21	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_21	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_21	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_21	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_21	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_21	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_21	c1ccccc1OCCO	C122996
PUBCHEM_21	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_21	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_21	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_21	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_21	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_21	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_21	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_21	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_21	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_21	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_21	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_21	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_21	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_21	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_21	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_21	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_21	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_21	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_21	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_21	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_21	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_21	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_21	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_21	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_21	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_21	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_21	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_21	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_21	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_21	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_21	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_21	ClCCP(=O)(O)O	C16672870
PUBCHEM_21	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_21	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_21	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_21	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_21	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_21	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_21	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_21	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_21	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_21	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_21	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_21	NP(=O)(OC)SC	C10265926
PUBCHEM_21	OCCOC	C109864
PUBCHEM_21	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_21	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_21	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_21	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_21	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_21	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_21	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_21	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_21	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_21	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_21	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_21	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_21	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_21	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_21	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_21	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_21	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_21	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_21	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_21	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_21	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_21	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_21	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_21	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_21	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_21	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_21	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_21	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_21	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_21	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_21	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_21	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_21	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_21	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_21	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_21	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_21	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_21	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_21	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_21	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_21	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_21	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_21	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_21	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_21	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_21	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_21	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_21	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_21	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_21	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_21	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_21	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_21	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_21	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_21	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_21	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_21	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_21	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_21	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_21	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_21	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_21	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_21	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_21	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_21	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_21	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_21	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_21	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_21	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_21	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_21	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_21	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_21	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_21	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_21	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_21	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_21	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_21	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_21	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_21	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_21	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_21	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_21	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_21	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_21	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_21	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_21	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_21	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_21	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_21	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_21	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_21	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_21	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_21	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_21	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_21	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_21	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_21	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_21	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_21	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_21	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_21	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_21	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_21	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_21	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_21	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_21	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_21	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_21	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_21	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_21	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_21	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_21	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_21	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_21	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_21	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_21	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_21	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_21	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_21	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_21	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_21	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_21	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_21	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_21	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_21	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_21	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_21	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_21	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_21	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_21	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_21	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_21	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_21	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_21	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_21	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_21	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_21	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_21	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_21	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_21	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_21	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_21	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_21	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_21	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_21	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_21	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_21	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_21	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_21	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_21	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_21	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_21	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_21	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_21	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_21	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_21	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_21	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_21	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_21	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_21	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_21	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_21	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_21	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_21	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_21	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_21	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_21	NC(=O)C=C	C79061
PUBCHEM_21	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_21	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_21	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_21	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_21	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_21	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_21	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_21	c1coc2c1cccc2	C271896
PUBCHEM_21	OC(=O)c1ccccc1	C65850
PUBCHEM_21	OCc1ccccc1	C100516
PUBCHEM_21	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_21	ClCCOCCCl	C111444
PUBCHEM_21	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_21	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_21	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_21	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_21	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_21	O=C1CCCO1	C96480
PUBCHEM_21	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_21	O=C1CCCCCN1	C105602
PUBCHEM_21	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_21	Oc1c(cccc1)O	C120809
PUBCHEM_21	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_21	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_21	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_21	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_21	O=C(c1ccccc1)CCl	C532274
PUBCHEM_21	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_21	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_21	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_21	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_21	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_21	Nc1cc(ccc1OC)C	C120718
PUBCHEM_21	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_21	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_21	OC(=O)C(Cl)Cl	C79436
PUBCHEM_21	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_21	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_21	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_21	OCCOCCO	C111466
PUBCHEM_21	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_21	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_21	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_21	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_21	O=C(N(C)C)Cl	C79447
PUBCHEM_21	CN(C=O)C	C68122
PUBCHEM_21	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_21	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_21	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_21	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_21	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_21	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_21	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_21	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_21	C(CO)O	C107211
PUBCHEM_21	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_21	CCC(CCCC)CO	C104767
PUBCHEM_21	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_21	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_21	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_21	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_21	O=Cc1ccco1	C98011
PUBCHEM_21	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_21	OCC(O)CO	C56815
PUBCHEM_21	OCC1CO1	C556525
PUBCHEM_21	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_21	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_21	Oc1ccc(cc1)O	C123319
PUBCHEM_21	Oc1cccc2cccnc12	C148243
PUBCHEM_21	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_21	O=C(c1ccncc1)NN	C54853
PUBCHEM_21	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_21	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_21	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_21	CS(=O)(=O)OC	C66273
PUBCHEM_21	O=C1N(CCC1)C	C872504
PUBCHEM_21	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_21	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_21	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_21	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_21	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_21	O=N[O-].[Na+]	C7632000
PUBCHEM_21	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_21	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_21	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_21	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_21	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_21	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_21	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_21	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_21	O=NN(CCCC)CCCC	C924163
PUBCHEM_21	CCN(CC)N=O	C55185
PUBCHEM_21	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_21	O=NN(CCC)CCC	C621647
PUBCHEM_21	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_21	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_21	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_21	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_21	Oc1ccccc1	C108952
PUBCHEM_21	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_21	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_21	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_21	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_21	O=S1(=O)CCCO1	C1120714
PUBCHEM_21	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_21	CC(CO)O	C57556
PUBCHEM_21	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_21	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_21	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_21	Oc1cc(ccc1)O	C108463
PUBCHEM_21	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_21	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_21	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_21	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_21	OC(=O)C=CC=CC	C110441
PUBCHEM_21	C1C(c2ccccc2)O1	C96093
PUBCHEM_21	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_21	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_21	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_21	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_21	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_21	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_21	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_21	OCCN(CCO)CCO	C102716
PUBCHEM_21	OCCOCCOCCO	C112276
PUBCHEM_21	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_21	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_21	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_21	C(=O)(N)N	C57136
PUBCHEM_21	NC(=O)OCC	C51796
PUBCHEM_21	O=C1N(C=C)CCC1	C88120
PUBCHEM_21	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_21	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_21	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_21	OC(=O)CCC	C107926
PUBCHEM_21	CCCCOCCOCCO	C112345
PUBCHEM_21	Oc1ccccc1Cl	C95578
PUBCHEM_21	CCCCCCCCCC(=O)O	C334485
PUBCHEM_21	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_21	O=C(O)CCCCCC	C111148
PUBCHEM_21	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_21	CCCCCC(=O)O	C142621
PUBCHEM_21	CCCCCCCCC(=O)O	C112050
PUBCHEM_21	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_21	CCCCCCCC=O	C124130
PUBCHEM_21	CCCCCCCC(=O)O	C124072
PUBCHEM_21	CCCCC=O	C110623
PUBCHEM_21	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_21	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_21	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_21	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_21	Oc1c(C)cccc1	C95487
PUBCHEM_21	CCC(=NO)C	C96297
PUBCHEM_21	c1ccccc1C(=O)C	C98862
PUBCHEM_21	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_21	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_21	CCN(CCO)CC	C100378
PUBCHEM_21	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_21	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_21	Oc1ccc(C)cc1	C106445
PUBCHEM_21	ClCCO	C107073
PUBCHEM_21	CC(=O)OCCOCC	C111159
PUBCHEM_21	OCCNCCO	C111422
PUBCHEM_21	CCCCCCCCO	C111875
PUBCHEM_21	CCOCCOCCO	C111900
PUBCHEM_21	CCCCCCCCCCO	C112301
PUBCHEM_21	CCCCCCCCCCCCCO	C112709
PUBCHEM_21	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_21	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_21	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_21	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_21	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_21	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_21	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_21	OCCN	C141435
PUBCHEM_21	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_21	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_21	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_21	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_21	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_21	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_21	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_21	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_21	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_21	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_21	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_21	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_21	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_21	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_21	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_21	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_21	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_21	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_21	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_21	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_21	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_21	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_21	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_21	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_21	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_21	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_21	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_21	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_21	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_21	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_21	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_21	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_21	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_21	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_21	Nc1c(OC)cccc1	C90040
PUBCHEM_21	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_21	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_21	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_21	O=S(=O)(OCC)OCC	C64675
PUBCHEM_21	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_21	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_21	O=S(=O)(OC)OC	C77781
PUBCHEM_21	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_21	Oc1c(cccc1C)C	C576261
PUBCHEM_21	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_21	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_21	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_21	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_21	CCOCCO	C110805
PUBCHEM_21	CCCCOCCO	C111762
PUBCHEM_21	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_21	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_21	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_21	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_21	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_21	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_21	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_21	OCCOCCOCCOCC	C112505
PUBCHEM_21	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_21	ON=CC(C)(C)SC	C1646759
PUBCHEM_21	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_21	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_21	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_21	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_21	O(CCOC)CCOC	C111966
PUBCHEM_21	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_21	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_21	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_21	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_21	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_21	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_21	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_21	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_21	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_21	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_21	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_21	OC(CCl)CCl	C96231
PUBCHEM_21	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_21	O(CCOC)CCO	C111773
PUBCHEM_21	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_21	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_21	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_21	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_21	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_21	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_21	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_21	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_21	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_21	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_21	O=C(O)C(CCCC)CC	C149575
PUBCHEM_21	C(=O)(N)NO	C127071
PUBCHEM_21	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_21	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_21	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_21	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_21	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_21	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_21	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_21	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_21	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_21	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_21	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_21	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_21	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_21	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_21	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_21	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_21	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_21	C(OCCOC)COCCOC	C112492
PUBCHEM_21	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_21	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_21	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_21	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_21	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_21	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_21	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_21	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_21	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_21	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_21	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_21	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_21	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_21	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_21	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_21	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_21	OCCC(O)C	C107880
PUBCHEM_21	OC(CC(C)C)C	C108112
PUBCHEM_21	O=C(OC)CCCCCCC	C111115
PUBCHEM_21	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_21	OCCOCCCCCC	C112254
PUBCHEM_21	OCCCCCCCCCCC	C112425
PUBCHEM_21	OCCCCCCCCCCCC	C112538
PUBCHEM_21	OCCCCCCCCCCCCCC	C112721
PUBCHEM_21	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_21	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_21	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_21	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_21	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_21	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_21	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_21	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_21	O=C(C)OCCCCC	C628637
PUBCHEM_21	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_21	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_21	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_21	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_21	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_21	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_21	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_21	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_21	OC(OC(O)CC)CC	C25265718
PUBCHEM_21	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_21	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_21	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_21	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_21	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_21	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_21	OC(OCCCOC)CC	C34590948
PUBCHEM_21	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_21	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_21	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_21	O=C(OC)CC(=O)OC	C108598
PUBCHEM_21	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_21	CCC12N(COC1)COC2	C7747355
PUBCHEM_21	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_21	O=C(N)C(=C)C	C79390
PUBCHEM_21	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_21	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_21	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_21	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_21	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_21	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_21	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_21	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_21	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_21	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_21	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_21	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_21	O=Cc1ccccc1C=O	C643798
PUBCHEM_21	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_21	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_21	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_21	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_21	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_21	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_21	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_21	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_21	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_21	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_21	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_21	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_21	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_21	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_21	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_21	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_21	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_21	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_21	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_21	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_21	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_21	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_21	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_21	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_21	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_21	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_21	O=C(CCC)OCC	C105544
PUBCHEM_21	O=C(OCC)CCCCCC	C106309
PUBCHEM_21	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_21	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_21	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_21	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_21	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_21	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_21	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_21	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_21	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_21	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_21	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_21	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_21	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_21	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_21	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_21	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_21	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_21	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_21	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_21	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_21	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_21	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_21	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_21	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_21	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_21	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_21	O=C(C)NC	C79163
PUBCHEM_21	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_21	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_21	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_21	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_21	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_21	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_21	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_21	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_21	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_21	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_21	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_21	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_21	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_21	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_21	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_21	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_21	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_21	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_21	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_21	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_21	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_21	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_21	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_21	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_21	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_21	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_21	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_21	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_21	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_21	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_21	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_21	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_21	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_21	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_21	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_21	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_21	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_21	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_21	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_21	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_21	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_21	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_21	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_21	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_21	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_21	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_21	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_21	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_21	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_21	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_21	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_21	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_21	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_21	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_21	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_21	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_21	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_21	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_21	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_21	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_21	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_21	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_21	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_21	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_21	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_21	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_21	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_21	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_21	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_21	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_21	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_21	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_21	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_21	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_21	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_21	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_21	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_21	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_21	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_21	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_21	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_21	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_21	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_21	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_21	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_21	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_21	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_21	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_21	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_21	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_21	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_21	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_21	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_21	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_21	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_21	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_21	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_21	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_21	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_21	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_21	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_21	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_21	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_21	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_21	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_21	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_21	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_21	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_21	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_21	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_21	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_21	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_21	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_21	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_21	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_21	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_21	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_21	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_21	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_21	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_21	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_21	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_21	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_21	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_21	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_21	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_21	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_21	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_21	C(=O)N	C75127
PUBCHEM_21	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_21	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_21	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_21	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_21	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_21	OCCCBr	C627189
PUBCHEM_21	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_21	C(=O)(C)O	C64197
PUBCHEM_21	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_21	C(CO)C(C)C	C123513
PUBCHEM_21	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_21	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_21	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_21	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_21	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_21	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_21	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_21	NCCOCCOCCN	C929599
PUBCHEM_21	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_21	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_21	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_21	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_21	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_21	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_21	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_21	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_21	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_21	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_21	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_21	O=[Si]=O	C7631869
PUBCHEM_21	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_21	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_21	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_21	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_21	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_21	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_21	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_21	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_21	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_21	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_21	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_21	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_21	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_21	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_21	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_21	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_21	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_21	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_21	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_21	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_21	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_21	OCCC(OC)C	C2517433
PUBCHEM_21	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_21	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_21	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_21	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_21	O=COCC	C109944
PUBCHEM_21	O=C(OCC)c1ccccc1	C93890
PUBCHEM_21	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_21	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_21	O=CCCSC	C3268493
PUBCHEM_21	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_21	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_21	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_21	CC(=O)OCC	C141786
PUBCHEM_21	CC(=O)OCCCC	C123864
PUBCHEM_21	CC(=O)CCC(C)C	C110123
PUBCHEM_21	CC(=O)CC(C)C	C108101
PUBCHEM_21	CC(C)C=O	C78842
PUBCHEM_21	CCCCCC=O	C66251
PUBCHEM_21	CCCC=O	C123728
PUBCHEM_21	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_21	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_21	CCC1CO1	C106887
PUBCHEM_21	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_21	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_21	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_21	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_21	CC1CC(=O)O1	C3068880
PUBCHEM_21	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_21	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_21	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_21	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_21	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_21	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_21	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_21	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_21	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_21	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_21	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_21	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_21	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_21	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_21	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_21	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_21	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_21	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_21	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_21	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_21	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_21	O=C(CCl)CCl	C534076
PUBCHEM_21	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_21	CC(=O)C(=O)O	C127173
PUBCHEM_21	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_21	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_21	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_21	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_21	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_21	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_21	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_21	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_21	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_21	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_21	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_21	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_21	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_21	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_21	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_21	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_21	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_21	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_21	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_21	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_21	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_21	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_21	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_21	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_21	Nc1ccc(OC)cc1	C104949
PUBCHEM_21	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_21	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_21	O=CC=CC=CCCCCC	C25152845
PUBCHEM_21	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_21	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_21	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_21	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_21	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_21	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_21	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_21	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_21	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_21	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_21	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_21	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_21	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_21	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_21	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_21	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_21	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_21	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_21	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_21	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_21	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_21	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_21	OCC=C(C)C	C556821
PUBCHEM_21	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_21	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_21	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_21	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_21	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_21	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_21	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_21	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_21	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_21	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_21	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_21	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_21	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_21	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_21	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_21	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_21	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_21	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_21	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_21	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_21	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_21	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_21	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_21	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_21	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_21	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_21	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_21	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_21	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_21	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_21	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_21	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_21	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_21	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_21	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_21	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_21	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_21	O=CCCCCCCCCC=C	C112458
PUBCHEM_21	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_21	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_21	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_21	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_21	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_21	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_21	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_21	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_21	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_21	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_21	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_21	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_21	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_21	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_21	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_21	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_21	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_21	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_21	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_21	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_21	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_21	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_21	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_21	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_21	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_21	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_21	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_21	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_21	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_21	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_21	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_21	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_21	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_21	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_21	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_21	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_21	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_21	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_21	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_21	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_21	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_21	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_21	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_21	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_21	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_21	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_21	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_21	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_21	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_21	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_21	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_21	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_21	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_21	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_21	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_21	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_21	O=[As]c1ccccc1	C637036
PUBCHEM_21	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_21	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_21	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_21	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_21	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_21	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_21	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_21	O=CN1CCCCC1	C2591868
PUBCHEM_21	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_21	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_21	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_21	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_21	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_21	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_21	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_21	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_21	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_21	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_21	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_21	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_21	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_21	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_21	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_21	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_21	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_21	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_21	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_21	O=C(OCCCCO)C=C	C2478106
PUBCHEM_21	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_21	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_21	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_21	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_21	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_21	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_21	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_21	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_21	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_21	NCCCOCCCCCCCC	C15930662
PUBCHEM_21	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_21	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_21	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_21	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_21	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_21	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_21	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_21	CC1COc2ccccc2N1	C32329207
PUBCHEM_21	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_21	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_21	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_21	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_21	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_21	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_21	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_21	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_21	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_21	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_21	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_21	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_21	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_21	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_21	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_21	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_21	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_21	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_21	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_21	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_21	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_21	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_21	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_21	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_21	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_21	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_21	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_21	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_21	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_21	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_21	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_21	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_21	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_21	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_21	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_21	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_21	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_21	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_21	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_21	CCCCCc1ccco1	C3777693
PUBCHEM_21	CCC(=O)C(=O)CC	C4437518
PUBCHEM_21	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_21	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_22	CC(=O)N	C60355
PUBCHEM_22	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_22	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_22	C=CCO	C107186
PUBCHEM_22	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_22	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_22	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_22	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_22	CC(=O)OCc1ccccc1	C140114
PUBCHEM_22	CC(CNCC(C)O)O	C110974
PUBCHEM_22	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_22	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_22	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_22	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_22	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_22	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_22	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_22	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_22	O=CCCl	C107200
PUBCHEM_22	ClCOC	C107302
PUBCHEM_22	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_22	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_22	O=C1CCCCC1	C108941
PUBCHEM_22	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_22	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_22	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_22	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_22	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_22	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_22	CN(C)C(=O)C	C127195
PUBCHEM_22	CN(CCO)C	C108010
PUBCHEM_22	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_22	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_22	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_22	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_22	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_22	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_22	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_22	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_22	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_22	OC(CO)CCl	C96242
PUBCHEM_22	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_22	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_22	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_22	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_22	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_22	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_22	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_22	COc1ccc(cc1)O	C150765
PUBCHEM_22	NC(=O)OC	C598550
PUBCHEM_22	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_22	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_22	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_22	NC(=O)c1cccnc1	C98920
PUBCHEM_22	OC(=O)c1cccnc1	C59676
PUBCHEM_22	O=[N+](CC)[O-]	C79243
PUBCHEM_22	CN(C(=O)N)N=O	C684935
PUBCHEM_22	CN(N=O)C	C62759
PUBCHEM_22	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_22	O=NN1CCCC1	C930552
PUBCHEM_22	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_22	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_22	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_22	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_22	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_22	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_22	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_22	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_22	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_22	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_22	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_22	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_22	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_22	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_22	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_22	O=P(OC)(OC)OC	C512561
PUBCHEM_22	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_22	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_22	O=CCc1ccccc1	C122781
PUBCHEM_22	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_22	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_22	OCCOCCOCCOCCCC	C143226
PUBCHEM_22	CCCCCCCCCC=O	C112312
PUBCHEM_22	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_22	O=CCCCCCC	C111717
PUBCHEM_22	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_22	CCCCCCCCC=O	C124196
PUBCHEM_22	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_22	OC(=O)CCCC	C109524
PUBCHEM_22	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_22	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_22	CS(=O)C	C67685
PUBCHEM_22	OCCC	C71238
PUBCHEM_22	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_22	OC(C)CN	C78966
PUBCHEM_22	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_22	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_22	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_22	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_22	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_22	O=Cc1ccccc1O	C90028
PUBCHEM_22	Oc1cccc2ccccc12	C90153
PUBCHEM_22	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_22	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_22	ON=C1CCCCC1	C100641
PUBCHEM_22	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_22	OCCN1CCNCC1	C103764
PUBCHEM_22	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_22	Oc1ccc(Cl)cc1	C106489
PUBCHEM_22	CC(O)CC(C)(C)O	C107415
PUBCHEM_22	CCCC(=O)C	C107879
PUBCHEM_22	C1CCCCC1O	C108930
PUBCHEM_22	CCCCCC(=O)C	C110430
PUBCHEM_22	C(O)C#CCO	C110656
PUBCHEM_22	CCNCCO	C110736
PUBCHEM_22	CCCCCCO	C111273
PUBCHEM_22	CCCCCCCO	C111706
PUBCHEM_22	CCCCCCCCCC(=O)C	C112129
PUBCHEM_22	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_22	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_22	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_22	Oc1ccc(CC)cc1	C123079
PUBCHEM_22	CCCCCC(=O)OCC	C123660
PUBCHEM_22	CCCCCCCCCO	C143088
PUBCHEM_22	COc1ccc(OC)cc1	C150787
PUBCHEM_22	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_22	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_22	O=C(OC(C)(C)C)C	C540885
PUBCHEM_22	Oc1ccc(CCC)cc1	C645567
PUBCHEM_22	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_22	C=CC(=O)OCCO	C818611
PUBCHEM_22	CC/C=C\CCO	C928961
PUBCHEM_22	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_22	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_22	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_22	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_22	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_22	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_22	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_22	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_22	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_22	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_22	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_22	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_22	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_22	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_22	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_22	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_22	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_22	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_22	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_22	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_22	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_22	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_22	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_22	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_22	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_22	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_22	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_22	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_22	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_22	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_22	c1(c(CC)cccc1)O	C90006
PUBCHEM_22	c1c(O)cccc1CC	C620177
PUBCHEM_22	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_22	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_22	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_22	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_22	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_22	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_22	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_22	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_22	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_22	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_22	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_22	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_22	c1cccc(OC)c1O	C90051
PUBCHEM_22	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_22	C(=O)(O)C(C)O	C50215
PUBCHEM_22	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_22	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_22	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_22	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_22	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_22	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_22	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_22	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_22	NC(CO)(CO)CO	C77861
PUBCHEM_22	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_22	C[Si](=O)C	C9016006
PUBCHEM_22	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_22	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_22	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_22	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_22	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_22	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_22	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_22	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_22	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_22	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_22	Cc1cc(O)ccc1	C108394
PUBCHEM_22	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_22	OP(=O)(O)O	C7664382
PUBCHEM_22	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_22	CC(O)COC	C107982
PUBCHEM_22	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_22	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_22	O=C(N)N=NC(=O)N	C123773
PUBCHEM_22	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_22	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_22	ON=CCCC	C110690
PUBCHEM_22	OCCCCO	C110634
PUBCHEM_22	O=C(OCCCC)C=C	C141322
PUBCHEM_22	C(OCCCC)C1CO1	C2426086
PUBCHEM_22	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_22	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_22	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_22	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_22	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_22	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_22	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_22	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_22	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_22	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_22	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_22	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_22	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_22	OCNC(=O)NCO	C140954
PUBCHEM_22	Cc1c(C)cccc1O	C526750
PUBCHEM_22	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_22	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_22	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_22	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_22	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_22	C(CC)(C=O)CCCC	C123057
PUBCHEM_22	OCC(C(O)CCC)CC	C94962
PUBCHEM_22	CCC(=CCCC)C=O	C645625
PUBCHEM_22	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_22	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_22	c1c(CO)occ1	C98000
PUBCHEM_22	O=CCCCC=O	C111308
PUBCHEM_22	C(=O)(O)CO	C79141
PUBCHEM_22	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_22	C(C)(C)(O)C#N	C75865
PUBCHEM_22	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_22	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_22	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_22	O(C(C)C)C(=O)C	C108214
PUBCHEM_22	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_22	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_22	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_22	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_22	C1COCCN1	C110918
PUBCHEM_22	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_22	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_22	C(=O)(O)C(=O)O	C144627
PUBCHEM_22	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_22	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_22	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_22	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_22	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_22	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_22	O=C(O)CS	C68111
PUBCHEM_22	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_22	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_22	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_22	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_22	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_22	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_22	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_22	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_22	OCCc1ccccc1	C60128
PUBCHEM_22	O=C(O)c1ccccc1O	C69727
PUBCHEM_22	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_22	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_22	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_22	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_22	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_22	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_22	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_22	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_22	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_22	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_22	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_22	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_22	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_22	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_22	O=C1OCC(C)O1	C108327
PUBCHEM_22	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_22	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_22	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_22	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_22	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_22	O=C(C)OCCOCCCC	C112072
PUBCHEM_22	OCCOCCOCCOC	C112356
PUBCHEM_22	OCCOCCOCCOCCO	C112607
PUBCHEM_22	OCC(CO)(CO)CO	C115775
PUBCHEM_22	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_22	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_22	OC(CCCCCC)C	C123966
PUBCHEM_22	OCC(N)(C)C	C124685
PUBCHEM_22	OCC(C)(C)CO	C126307
PUBCHEM_22	Oc1ccc2ccccc2c1	C135193
PUBCHEM_22	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_22	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_22	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_22	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_22	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_22	O=C1NCCC1	C616455
PUBCHEM_22	O=COC(C)C	C625558
PUBCHEM_22	OC(C)COc1ccccc1	C770354
PUBCHEM_22	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_22	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_22	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_22	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_22	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_22	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_22	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_22	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_22	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_22	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_22	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_22	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_22	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_22	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_22	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_22	OCCOCCC	C2807309
PUBCHEM_22	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_22	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_22	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_22	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_22	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_22	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_22	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_22	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_22	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_22	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_22	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_22	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_22	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_22	CC(CO)O	C25322694
PUBCHEM_22	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_22	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_22	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_22	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_22	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_22	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_22	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_22	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_22	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_22	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_22	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_22	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_22	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_22	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_22	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_22	OCC1OCCC1	C97994
PUBCHEM_22	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_22	CN1CCOCC1	C109024
PUBCHEM_22	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_22	O=C1CCCC1	C120923
PUBCHEM_22	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_22	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_22	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_22	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_22	O=C(C=C(C)C)C	C141797
PUBCHEM_22	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_22	OC(C)COCCC	C1569013
PUBCHEM_22	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_22	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_22	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_22	OCC(CCC)CCCCC	C10042598
PUBCHEM_22	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_22	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_22	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_22	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_22	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_22	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_22	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_22	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_22	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_22	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_22	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_22	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_22	OC(OCCCC)CC	C29387868
PUBCHEM_22	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_22	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_22	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_22	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_22	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_22	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_22	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_22	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_22	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_22	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_22	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_22	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_22	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_22	OCn1nc(C)cc1C	C85264331
PUBCHEM_22	OCCSCCCCCCCC	C3547339
PUBCHEM_22	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_22	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_22	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_22	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_22	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_22	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_22	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_22	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_22	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_22	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_22	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_22	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_22	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_22	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_22	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_22	OC1CCCC1	C96413
PUBCHEM_22	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_22	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_22	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_22	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_22	O=S(=O)(N)O	C5329146
PUBCHEM_22	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_22	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_22	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_22	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_22	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_22	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_22	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_22	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_22	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_22	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_22	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_22	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_22	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_22	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_22	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_22	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_22	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_22	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_22	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_22	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_22	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_22	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_22	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_22	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_22	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_22	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_22	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_22	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_22	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_22	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_22	OC(CCCCC)C=C	C3391864
PUBCHEM_22	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_22	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_22	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_22	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_22	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_22	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_22	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_22	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_22	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_22	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_22	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_22	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_22	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_22	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_22	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_22	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_22	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_22	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_22	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_22	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_22	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_22	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_22	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_22	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_22	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_22	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_22	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_22	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_22	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_22	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_22	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_22	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_22	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_22	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_22	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_22	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_22	O=C(CC)OCC	C105373
PUBCHEM_22	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_22	O=C(c1ccccc1O)C	C118934
PUBCHEM_22	O=C1OCC(CC)O1	C4437858
PUBCHEM_22	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_22	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_22	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_22	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_22	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_22	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_22	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_22	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_22	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_22	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_22	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_22	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_22	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_22	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_22	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_22	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_22	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_22	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_22	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_22	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_22	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_22	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_22	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_22	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_22	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_22	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_22	CC(O)COCC	C1569024
PUBCHEM_22	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_22	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_22	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_22	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_22	Oc1ccccc1CN(C)C	C120650
PUBCHEM_22	O=C1CCC(O1)CC	C695067
PUBCHEM_22	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_22	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_22	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_22	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_22	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_22	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_22	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_22	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_22	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_22	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_22	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_22	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_22	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_22	O=C/C=C/CCC	C6728263
PUBCHEM_22	O1C=CCCC1	C110872
PUBCHEM_22	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_22	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_22	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_22	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_22	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_22	OCC=Cc1ccccc1	C104541
PUBCHEM_22	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_22	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_22	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_22	NCCCN1CCOCC1	C123002
PUBCHEM_22	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_22	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_22	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_22	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_22	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_22	O=C(CCC)OCCCCC	C540181
PUBCHEM_22	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_22	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_22	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_22	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_22	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_22	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_22	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_22	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_22	N#Cc1c(O)cccc1	C611201
PUBCHEM_22	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_22	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_22	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_22	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_22	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_22	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_22	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_22	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_22	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_22	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_22	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_22	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_22	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_22	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_22	OP(OCC)OCC	C762049
PUBCHEM_22	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_22	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_22	OCCOCC(CC)CCCC	C1559359
PUBCHEM_22	O=C(CC)CCCCC	C106683
PUBCHEM_22	OCCN(CC)CCO	C139877
PUBCHEM_22	CCOC(OCC)OCC	C122510
PUBCHEM_22	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_22	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_22	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_22	O=C(CF)O	C144490
PUBCHEM_22	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_22	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_22	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_22	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_22	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_22	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_22	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_22	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_22	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_22	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_22	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_22	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_22	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_22	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_22	OC(C)C(=O)OCCCC	C138227
PUBCHEM_22	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_22	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_22	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_22	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_22	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_22	Oc1c(OCC)cccc1	C94713
PUBCHEM_22	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_22	COc1ccc(CCC)cc1	C104450
PUBCHEM_22	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_22	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_22	CO[Si](C)(C)OC	C1112396
PUBCHEM_22	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_22	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_22	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_22	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_22	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_22	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_22	OC(CO)c1ccccc1	C93561
PUBCHEM_22	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_22	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_22	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_22	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_22	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_22	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_22	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_22	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_22	O=C(N)Nc1ccccc1	C64108
PUBCHEM_22	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_22	O=C(C)OCCCCCCCC	C112141
PUBCHEM_22	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_22	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_22	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_22	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_22	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_22	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_22	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_22	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_22	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_22	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_22	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_22	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_22	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_22	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_22	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_22	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_22	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_22	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_22	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_22	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_22	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_22	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_22	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_22	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_22	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_22	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_22	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_22	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_22	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_22	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_22	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_22	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_22	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_22	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_22	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_22	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_22	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_22	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_22	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_22	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_22	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_22	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_22	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_22	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_22	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_22	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_22	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_22	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_22	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_22	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_22	OCCOCC(C)OCCO	C9003116
PUBCHEM_22	O=C1OC(CCC)CC1	C105215
PUBCHEM_22	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_22	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_22	C=O	C50000
PUBCHEM_22	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_22	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_22	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_22	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_22	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_22	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_22	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_22	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_22	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_22	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_22	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_22	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_22	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_22	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_22	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_22	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_22	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_22	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_22	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_22	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_22	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_22	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_22	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_22	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_22	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_22	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_22	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_22	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_22	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_22	OB(O)O	C10043353
PUBCHEM_22	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_22	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_22	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_22	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_22	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_22	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_22	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_22	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_22	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_22	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_22	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_22	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_22	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_22	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_22	C[As](=O)(C)O	C75605
PUBCHEM_22	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_22	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_22	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_22	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_22	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_22	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_22	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_22	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_22	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_22	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_22	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_22	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_22	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_22	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_22	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_22	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_22	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_22	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_22	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_22	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_22	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_22	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_22	c1ccccc1OCCO	C122996
PUBCHEM_22	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_22	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_22	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_22	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_22	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_22	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_22	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_22	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_22	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_22	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_22	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_22	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_22	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_22	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_22	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_22	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_22	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_22	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_22	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_22	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_22	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_22	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_22	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_22	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_22	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_22	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_22	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_22	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_22	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_22	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_22	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_22	ClCCP(=O)(O)O	C16672870
PUBCHEM_22	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_22	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_22	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_22	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_22	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_22	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_22	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_22	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_22	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_22	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_22	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_22	NP(=O)(OC)SC	C10265926
PUBCHEM_22	OCCOC	C109864
PUBCHEM_22	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_22	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_22	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_22	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_22	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_22	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_22	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_22	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_22	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_22	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_22	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_22	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_22	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_22	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_22	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_22	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_22	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_22	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_22	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_22	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_22	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_22	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_22	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_22	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_22	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_22	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_22	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_22	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_22	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_22	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_22	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_22	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_22	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_22	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_22	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_22	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_22	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_22	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_22	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_22	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_22	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_22	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_22	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_22	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_22	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_22	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_22	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_22	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_22	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_22	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_22	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_22	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_22	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_22	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_22	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_22	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_22	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_22	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_22	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_22	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_22	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_22	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_22	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_22	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_22	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_22	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_22	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_22	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_22	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_22	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_22	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_22	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_22	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_22	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_22	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_22	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_22	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_22	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_22	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_22	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_22	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_22	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_22	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_22	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_22	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_22	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_22	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_22	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_22	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_22	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_22	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_22	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_22	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_22	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_22	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_22	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_22	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_22	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_22	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_22	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_22	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_22	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_22	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_22	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_22	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_22	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_22	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_22	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_22	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_22	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_22	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_22	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_22	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_22	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_22	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_22	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_22	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_22	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_22	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_22	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_22	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_22	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_22	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_22	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_22	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_22	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_22	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_22	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_22	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_22	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_22	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_22	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_22	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_22	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_22	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_22	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_22	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_22	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_22	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_22	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_22	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_22	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_22	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_22	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_22	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_22	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_22	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_22	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_22	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_22	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_22	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_22	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_22	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_22	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_22	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_22	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_22	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_22	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_22	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_22	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_22	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_22	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_22	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_22	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_22	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_22	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_22	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_22	NC(=O)C=C	C79061
PUBCHEM_22	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_22	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_22	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_22	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_22	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_22	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_22	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_22	c1coc2c1cccc2	C271896
PUBCHEM_22	OC(=O)c1ccccc1	C65850
PUBCHEM_22	OCc1ccccc1	C100516
PUBCHEM_22	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_22	ClCCOCCCl	C111444
PUBCHEM_22	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_22	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_22	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_22	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_22	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_22	O=C1CCCO1	C96480
PUBCHEM_22	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_22	O=C1CCCCCN1	C105602
PUBCHEM_22	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_22	Oc1c(cccc1)O	C120809
PUBCHEM_22	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_22	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_22	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_22	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_22	O=C(c1ccccc1)CCl	C532274
PUBCHEM_22	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_22	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_22	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_22	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_22	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_22	Nc1cc(ccc1OC)C	C120718
PUBCHEM_22	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_22	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_22	OC(=O)C(Cl)Cl	C79436
PUBCHEM_22	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_22	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_22	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_22	OCCOCCO	C111466
PUBCHEM_22	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_22	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_22	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_22	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_22	O=C(N(C)C)Cl	C79447
PUBCHEM_22	CN(C=O)C	C68122
PUBCHEM_22	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_22	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_22	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_22	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_22	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_22	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_22	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_22	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_22	C(CO)O	C107211
PUBCHEM_22	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_22	CCC(CCCC)CO	C104767
PUBCHEM_22	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_22	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_22	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_22	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_22	O=Cc1ccco1	C98011
PUBCHEM_22	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_22	OCC(O)CO	C56815
PUBCHEM_22	OCC1CO1	C556525
PUBCHEM_22	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_22	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_22	Oc1ccc(cc1)O	C123319
PUBCHEM_22	Oc1cccc2cccnc12	C148243
PUBCHEM_22	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_22	O=C(c1ccncc1)NN	C54853
PUBCHEM_22	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_22	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_22	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_22	CS(=O)(=O)OC	C66273
PUBCHEM_22	O=C1N(CCC1)C	C872504
PUBCHEM_22	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_22	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_22	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_22	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_22	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_22	O=N[O-].[Na+]	C7632000
PUBCHEM_22	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_22	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_22	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_22	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_22	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_22	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_22	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_22	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_22	O=NN(CCCC)CCCC	C924163
PUBCHEM_22	CCN(CC)N=O	C55185
PUBCHEM_22	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_22	O=NN(CCC)CCC	C621647
PUBCHEM_22	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_22	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_22	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_22	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_22	Oc1ccccc1	C108952
PUBCHEM_22	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_22	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_22	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_22	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_22	O=S1(=O)CCCO1	C1120714
PUBCHEM_22	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_22	CC(CO)O	C57556
PUBCHEM_22	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_22	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_22	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_22	Oc1cc(ccc1)O	C108463
PUBCHEM_22	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_22	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_22	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_22	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_22	OC(=O)C=CC=CC	C110441
PUBCHEM_22	C1C(c2ccccc2)O1	C96093
PUBCHEM_22	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_22	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_22	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_22	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_22	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_22	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_22	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_22	OCCN(CCO)CCO	C102716
PUBCHEM_22	OCCOCCOCCO	C112276
PUBCHEM_22	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_22	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_22	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_22	C(=O)(N)N	C57136
PUBCHEM_22	NC(=O)OCC	C51796
PUBCHEM_22	O=C1N(C=C)CCC1	C88120
PUBCHEM_22	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_22	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_22	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_22	OC(=O)CCC	C107926
PUBCHEM_22	CCCCOCCOCCO	C112345
PUBCHEM_22	Oc1ccccc1Cl	C95578
PUBCHEM_22	CCCCCCCCCC(=O)O	C334485
PUBCHEM_22	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_22	O=C(O)CCCCCC	C111148
PUBCHEM_22	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_22	CCCCCC(=O)O	C142621
PUBCHEM_22	CCCCCCCCC(=O)O	C112050
PUBCHEM_22	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_22	CCCCCCCC=O	C124130
PUBCHEM_22	CCCCCCCC(=O)O	C124072
PUBCHEM_22	CCCCC=O	C110623
PUBCHEM_22	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_22	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_22	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_22	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_22	Oc1c(C)cccc1	C95487
PUBCHEM_22	CCC(=NO)C	C96297
PUBCHEM_22	c1ccccc1C(=O)C	C98862
PUBCHEM_22	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_22	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_22	CCN(CCO)CC	C100378
PUBCHEM_22	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_22	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_22	Oc1ccc(C)cc1	C106445
PUBCHEM_22	ClCCO	C107073
PUBCHEM_22	CC(=O)OCCOCC	C111159
PUBCHEM_22	OCCNCCO	C111422
PUBCHEM_22	CCCCCCCCO	C111875
PUBCHEM_22	CCOCCOCCO	C111900
PUBCHEM_22	CCCCCCCCCCO	C112301
PUBCHEM_22	CCCCCCCCCCCCCO	C112709
PUBCHEM_22	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_22	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_22	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_22	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_22	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_22	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_22	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_22	OCCN	C141435
PUBCHEM_22	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_22	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_22	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_22	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_22	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_22	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_22	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_22	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_22	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_22	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_22	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_22	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_22	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_22	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_22	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_22	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_22	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_22	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_22	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_22	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_22	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_22	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_22	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_22	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_22	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_22	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_22	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_22	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_22	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_22	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_22	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_22	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_22	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_22	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_22	Nc1c(OC)cccc1	C90040
PUBCHEM_22	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_22	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_22	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_22	O=S(=O)(OCC)OCC	C64675
PUBCHEM_22	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_22	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_22	O=S(=O)(OC)OC	C77781
PUBCHEM_22	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_22	Oc1c(cccc1C)C	C576261
PUBCHEM_22	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_22	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_22	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_22	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_22	CCOCCO	C110805
PUBCHEM_22	CCCCOCCO	C111762
PUBCHEM_22	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_22	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_22	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_22	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_22	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_22	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_22	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_22	OCCOCCOCCOCC	C112505
PUBCHEM_22	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_22	ON=CC(C)(C)SC	C1646759
PUBCHEM_22	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_22	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_22	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_22	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_22	O(CCOC)CCOC	C111966
PUBCHEM_22	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_22	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_22	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_22	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_22	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_22	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_22	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_22	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_22	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_22	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_22	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_22	OC(CCl)CCl	C96231
PUBCHEM_22	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_22	O(CCOC)CCO	C111773
PUBCHEM_22	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_22	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_22	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_22	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_22	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_22	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_22	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_22	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_22	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_22	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_22	O=C(O)C(CCCC)CC	C149575
PUBCHEM_22	C(=O)(N)NO	C127071
PUBCHEM_22	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_22	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_22	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_22	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_22	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_22	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_22	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_22	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_22	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_22	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_22	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_22	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_22	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_22	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_22	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_22	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_22	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_22	C(OCCOC)COCCOC	C112492
PUBCHEM_22	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_22	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_22	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_22	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_22	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_22	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_22	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_22	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_22	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_22	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_22	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_22	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_22	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_22	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_22	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_22	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_22	OCCC(O)C	C107880
PUBCHEM_22	OC(CC(C)C)C	C108112
PUBCHEM_22	O=C(OC)CCCCCCC	C111115
PUBCHEM_22	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_22	OCCOCCCCCC	C112254
PUBCHEM_22	OCCCCCCCCCCC	C112425
PUBCHEM_22	OCCCCCCCCCCCC	C112538
PUBCHEM_22	OCCCCCCCCCCCCCC	C112721
PUBCHEM_22	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_22	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_22	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_22	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_22	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_22	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_22	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_22	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_22	O=C(C)OCCCCC	C628637
PUBCHEM_22	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_22	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_22	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_22	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_22	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_22	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_22	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_22	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_22	OC(OC(O)CC)CC	C25265718
PUBCHEM_22	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_22	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_22	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_22	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_22	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_22	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_22	OC(OCCCOC)CC	C34590948
PUBCHEM_22	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_22	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_22	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_22	O=C(OC)CC(=O)OC	C108598
PUBCHEM_22	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_22	CCC12N(COC1)COC2	C7747355
PUBCHEM_22	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_22	O=C(N)C(=C)C	C79390
PUBCHEM_22	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_22	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_22	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_22	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_22	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_22	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_22	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_22	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_22	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_22	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_22	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_22	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_22	O=Cc1ccccc1C=O	C643798
PUBCHEM_22	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_22	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_22	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_22	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_22	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_22	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_22	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_22	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_22	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_22	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_22	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_22	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_22	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_22	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_22	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_22	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_22	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_22	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_22	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_22	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_22	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_22	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_22	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_22	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_22	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_22	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_22	O=C(CCC)OCC	C105544
PUBCHEM_22	O=C(OCC)CCCCCC	C106309
PUBCHEM_22	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_22	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_22	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_22	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_22	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_22	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_22	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_22	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_22	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_22	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_22	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_22	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_22	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_22	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_22	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_22	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_22	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_22	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_22	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_22	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_22	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_22	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_22	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_22	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_22	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_22	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_22	O=C(C)NC	C79163
PUBCHEM_22	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_22	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_22	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_22	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_22	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_22	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_22	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_22	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_22	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_22	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_22	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_22	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_22	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_22	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_22	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_22	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_22	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_22	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_22	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_22	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_22	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_22	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_22	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_22	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_22	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_22	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_22	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_22	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_22	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_22	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_22	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_22	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_22	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_22	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_22	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_22	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_22	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_22	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_22	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_22	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_22	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_22	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_22	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_22	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_22	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_22	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_22	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_22	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_22	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_22	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_22	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_22	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_22	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_22	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_22	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_22	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_22	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_22	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_22	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_22	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_22	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_22	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_22	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_22	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_22	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_22	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_22	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_22	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_22	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_22	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_22	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_22	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_22	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_22	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_22	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_22	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_22	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_22	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_22	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_22	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_22	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_22	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_22	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_22	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_22	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_22	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_22	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_22	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_22	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_22	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_22	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_22	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_22	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_22	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_22	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_22	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_22	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_22	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_22	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_22	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_22	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_22	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_22	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_22	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_22	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_22	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_22	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_22	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_22	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_22	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_22	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_22	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_22	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_22	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_22	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_22	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_22	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_22	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_22	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_22	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_22	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_22	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_22	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_22	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_22	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_22	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_22	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_22	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_22	C(=O)N	C75127
PUBCHEM_22	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_22	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_22	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_22	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_22	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_22	OCCCBr	C627189
PUBCHEM_22	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_22	C(=O)(C)O	C64197
PUBCHEM_22	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_22	C(CO)C(C)C	C123513
PUBCHEM_22	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_22	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_22	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_22	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_22	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_22	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_22	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_22	NCCOCCOCCN	C929599
PUBCHEM_22	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_22	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_22	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_22	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_22	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_22	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_22	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_22	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_22	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_22	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_22	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_22	O=[Si]=O	C7631869
PUBCHEM_22	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_22	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_22	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_22	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_22	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_22	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_22	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_22	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_22	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_22	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_22	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_22	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_22	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_22	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_22	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_22	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_22	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_22	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_22	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_22	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_22	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_22	OCCC(OC)C	C2517433
PUBCHEM_22	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_22	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_22	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_22	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_22	O=COCC	C109944
PUBCHEM_22	O=C(OCC)c1ccccc1	C93890
PUBCHEM_22	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_22	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_22	O=CCCSC	C3268493
PUBCHEM_22	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_22	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_22	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_22	CC(=O)OCC	C141786
PUBCHEM_22	CC(=O)OCCCC	C123864
PUBCHEM_22	CC(=O)CCC(C)C	C110123
PUBCHEM_22	CC(=O)CC(C)C	C108101
PUBCHEM_22	CC(C)C=O	C78842
PUBCHEM_22	CCCCCC=O	C66251
PUBCHEM_22	CCCC=O	C123728
PUBCHEM_22	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_22	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_22	CCC1CO1	C106887
PUBCHEM_22	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_22	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_22	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_22	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_22	CC1CC(=O)O1	C3068880
PUBCHEM_22	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_22	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_22	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_22	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_22	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_22	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_22	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_22	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_22	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_22	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_22	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_22	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_22	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_22	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_22	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_22	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_22	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_22	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_22	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_22	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_22	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_22	O=C(CCl)CCl	C534076
PUBCHEM_22	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_22	CC(=O)C(=O)O	C127173
PUBCHEM_22	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_22	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_22	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_22	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_22	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_22	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_22	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_22	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_22	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_22	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_22	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_22	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_22	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_22	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_22	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_22	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_22	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_22	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_22	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_22	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_22	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_22	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_22	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_22	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_22	Nc1ccc(OC)cc1	C104949
PUBCHEM_22	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_22	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_22	O=CC=CC=CCCCCC	C25152845
PUBCHEM_22	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_22	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_22	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_22	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_22	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_22	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_22	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_22	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_22	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_22	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_22	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_22	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_22	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_22	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_22	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_22	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_22	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_22	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_22	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_22	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_22	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_22	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_22	OCC=C(C)C	C556821
PUBCHEM_22	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_22	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_22	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_22	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_22	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_22	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_22	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_22	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_22	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_22	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_22	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_22	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_22	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_22	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_22	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_22	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_22	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_22	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_22	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_22	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_22	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_22	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_22	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_22	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_22	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_22	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_22	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_22	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_22	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_22	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_22	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_22	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_22	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_22	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_22	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_22	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_22	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_22	O=CCCCCCCCCC=C	C112458
PUBCHEM_22	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_22	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_22	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_22	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_22	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_22	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_22	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_22	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_22	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_22	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_22	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_22	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_22	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_22	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_22	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_22	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_22	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_22	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_22	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_22	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_22	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_22	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_22	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_22	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_22	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_22	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_22	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_22	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_22	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_22	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_22	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_22	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_22	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_22	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_22	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_22	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_22	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_22	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_22	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_22	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_22	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_22	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_22	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_22	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_22	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_22	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_22	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_22	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_22	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_22	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_22	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_22	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_22	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_22	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_22	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_22	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_22	O=[As]c1ccccc1	C637036
PUBCHEM_22	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_22	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_22	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_22	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_22	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_22	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_22	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_22	O=CN1CCCCC1	C2591868
PUBCHEM_22	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_22	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_22	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_22	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_22	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_22	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_22	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_22	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_22	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_22	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_22	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_22	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_22	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_22	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_22	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_22	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_22	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_22	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_22	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_22	O=C(OCCCCO)C=C	C2478106
PUBCHEM_22	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_22	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_22	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_22	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_22	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_22	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_22	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_22	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_22	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_22	NCCCOCCCCCCCC	C15930662
PUBCHEM_22	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_22	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_22	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_22	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_22	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_22	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_22	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_22	CC1COc2ccccc2N1	C32329207
PUBCHEM_22	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_22	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_22	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_22	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_22	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_22	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_22	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_22	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_22	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_22	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_22	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_22	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_22	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_22	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_22	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_22	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_22	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_22	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_22	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_22	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_22	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_22	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_22	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_22	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_22	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_22	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_22	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_22	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_22	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_22	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_22	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_22	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_22	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_22	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_22	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_22	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_22	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_22	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_22	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_22	CCCCCc1ccco1	C3777693
PUBCHEM_22	CCC(=O)C(=O)CC	C4437518
PUBCHEM_22	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_22	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_23	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_23	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_23	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_23	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_23	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_23	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_23	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_23	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_23	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_23	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_23	Brc1ccc(F)cc1	C460004
PUBCHEM_23	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_23	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_23	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_23	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_23	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_23	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_23	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_23	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_23	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_23	O=C(CF)O	C144490
PUBCHEM_23	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_23	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_23	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_23	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_23	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_23	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_23	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_23	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_23	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_23	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_23	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_23	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_23	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_23	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_23	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_23	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_23	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_23	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_23	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_23	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_23	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_23	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_23	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_23	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_23	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_23	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_23	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_23	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_23	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_23	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_23	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_23	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_23	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_23	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_23	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_23	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_23	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_23	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_23	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_23	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_23	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_23	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_23	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_23	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_23	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_23	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_23	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_23	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_23	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_23	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_23	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_23	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_23	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_23	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_23	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_23	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_23	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_23	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_23	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_23	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_23	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_23	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_23	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_23	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_23	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_23	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_23	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_23	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_23	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_23	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_23	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_23	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_23	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_23	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_23	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_23	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_23	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_23	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_23	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_23	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_23	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_23	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_23	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_23	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_23	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_23	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_23	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_23	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_23	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_23	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_23	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_23	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_23	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_23	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_23	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_23	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_23	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_23	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_23	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_23	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_23	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_23	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_23	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_23	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_23	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_23	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_23	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_23	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_23	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_23	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_23	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_23	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_23	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_23	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_23	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_23	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_23	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_23	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_23	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_23	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_23	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_23	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_23	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_23	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_23	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_23	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_23	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_23	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_23	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_23	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_23	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_23	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_23	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_23	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_23	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_23	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_23	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_23	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_23	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_23	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_23	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_23	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_23	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_23	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_23	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_23	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_23	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_23	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_23	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_23	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_23	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_23	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_23	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_23	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_23	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_23	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_23	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_24	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_24	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_24	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_24	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_24	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_24	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_24	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_24	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_24	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_24	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_24	Brc1ccc(F)cc1	C460004
PUBCHEM_24	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_24	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_24	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_24	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_24	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_24	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_24	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_24	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_24	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_24	O=C(CF)O	C144490
PUBCHEM_24	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_24	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_24	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_24	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_24	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_24	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_24	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_24	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_24	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_24	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_24	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_24	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_24	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_24	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_24	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_24	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_24	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_24	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_24	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_24	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_24	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_24	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_24	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_24	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_24	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_24	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_24	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_24	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_24	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_24	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_24	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_24	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_24	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_24	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_24	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_24	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_24	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_24	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_24	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_24	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_24	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_24	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_24	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_24	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_24	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_24	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_24	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_24	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_24	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_24	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_24	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_24	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_24	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_24	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_24	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_24	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_24	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_24	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_24	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_24	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_24	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_24	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_24	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_24	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_24	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_24	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_24	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_24	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_24	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_24	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_24	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_24	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_24	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_24	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_24	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_24	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_24	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_24	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_24	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_24	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_24	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_24	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_24	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_24	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_24	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_24	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_24	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_24	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_24	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_24	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_24	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_24	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_24	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_24	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_24	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_24	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_24	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_24	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_24	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_24	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_24	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_24	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_24	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_24	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_24	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_24	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_24	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_24	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_24	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_24	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_24	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_24	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_24	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_24	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_24	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_24	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_24	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_24	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_24	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_24	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_24	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_24	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_24	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_24	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_24	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_24	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_24	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_24	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_24	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_24	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_24	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_24	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_24	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_24	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_24	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_24	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_24	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_24	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_24	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_24	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_24	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_24	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_24	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_24	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_24	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_24	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_24	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_24	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_24	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_24	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_24	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_24	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_25	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_25	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_25	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_25	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_25	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_25	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_25	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_25	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_25	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_25	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_25	Brc1ccc(F)cc1	C460004
PUBCHEM_25	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_25	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_25	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_25	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_25	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_25	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_25	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_25	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_25	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_25	O=C(CF)O	C144490
PUBCHEM_25	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_25	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_25	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_25	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_25	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_25	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_25	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_25	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_25	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_25	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_25	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_25	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_25	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_25	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_25	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_25	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_25	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_25	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_25	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_25	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_25	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_25	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_25	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_25	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_25	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_25	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_25	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_25	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_25	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_25	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_25	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_25	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_25	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_25	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_25	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_25	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_25	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_25	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_25	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_25	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_25	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_25	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_25	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_25	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_25	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_25	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_25	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_25	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_25	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_25	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_25	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_25	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_25	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_25	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_25	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_25	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_25	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_25	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_25	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_25	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_25	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_25	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_25	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_25	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_25	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_25	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_25	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_25	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_25	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_25	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_25	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_25	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_25	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_25	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_25	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_25	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_25	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_25	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_25	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_25	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_25	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_25	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_25	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_25	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_25	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_25	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_25	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_25	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_25	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_25	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_25	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_25	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_25	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_25	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_25	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_25	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_25	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_25	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_25	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_25	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_25	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_25	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_25	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_25	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_25	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_25	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_25	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_25	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_25	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_25	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_25	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_25	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_25	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_25	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_25	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_25	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_25	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_25	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_25	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_25	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_25	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_25	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_25	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_25	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_25	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_25	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_25	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_25	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_25	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_25	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_25	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_25	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_25	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_25	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_25	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_25	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_25	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_25	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_25	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_25	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_25	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_25	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_25	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_25	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_25	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_25	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_25	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_25	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_25	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_25	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_25	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_25	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_26	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_26	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_26	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_26	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_26	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_26	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_26	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_26	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_26	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_26	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_26	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_26	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_26	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_26	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_26	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_26	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_26	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_26	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_26	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_26	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_26	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_26	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_26	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_26	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_26	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_26	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_26	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_26	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_26	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_26	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_26	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_26	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_26	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_26	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_26	[Na]I	C7681825
PUBCHEM_26	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_26	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_26	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_26	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_26	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_26	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_26	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_26	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_26	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_26	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_26	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_26	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_26	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_26	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_26	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_26	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_26	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_26	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_26	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_26	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_26	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_26	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_26	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_26	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_26	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_26	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_26	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_26	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_26	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_26	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_26	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_26	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_26	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_26	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_26	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_26	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_26	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_26	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_26	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_26	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_26	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_26	O=N[O-].[Na+]	C7632000
PUBCHEM_26	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_26	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_26	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_26	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_26	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_26	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_26	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_26	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_26	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_26	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_26	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_26	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_26	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_26	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_26	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_26	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_26	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_26	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_26	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_26	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_26	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_26	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_26	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_26	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_26	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_26	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_26	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_26	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_26	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_26	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_26	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_26	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_26	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_26	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_26	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_26	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_26	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_27	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_27	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_27	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_27	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_27	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_27	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_27	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_27	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_27	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_27	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_27	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_27	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_27	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_27	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_27	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_27	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_27	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_27	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_27	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_27	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_27	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_27	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_27	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_27	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_27	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_27	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_27	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_27	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_27	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_27	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_27	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_27	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_27	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_27	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_27	[Na]I	C7681825
PUBCHEM_27	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_27	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_27	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_27	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_27	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_27	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_27	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_27	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_27	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_27	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_27	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_27	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_27	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_27	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_27	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_27	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_27	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_27	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_27	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_27	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_27	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_27	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_27	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_27	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_27	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_27	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_27	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_27	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_27	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_27	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_27	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_27	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_27	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_27	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_27	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_27	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_27	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_27	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_27	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_27	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_27	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_27	O=N[O-].[Na+]	C7632000
PUBCHEM_27	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_27	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_27	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_27	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_27	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_27	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_27	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_27	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_27	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_27	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_27	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_27	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_27	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_27	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_27	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_27	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_27	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_27	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_27	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_27	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_27	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_27	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_27	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_27	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_27	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_27	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_27	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_27	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_27	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_27	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_27	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_27	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_27	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_27	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_27	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_27	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_27	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_28	C[Si](=O)C	C9016006
PUBCHEM_28	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_28	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_28	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_28	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_28	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_28	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_28	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_28	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_28	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_28	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_28	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_28	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_28	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_28	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_28	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_28	CO[Si](C)(C)OC	C1112396
PUBCHEM_28	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_28	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_28	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_28	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_28	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_28	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_28	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_28	O=[Si]=O	C7631869
PUBCHEM_28	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_28	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_29	C[Si](=O)C	C9016006
PUBCHEM_29	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_29	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_29	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_29	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_29	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_29	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_29	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_29	F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]	C16893859
PUBCHEM_29	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_29	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_29	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_29	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_29	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_29	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_29	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_29	CO[Si](C)(C)OC	C1112396
PUBCHEM_29	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_29	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_29	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_29	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_29	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_29	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_29	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_29	O=[Si]=O	C7631869
PUBCHEM_29	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_29	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_30	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_30	O=P(OC)(OC)OC	C512561
PUBCHEM_30	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_30	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_30	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_30	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_30	OP(=O)(O)O	C7664382
PUBCHEM_30	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_30	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_30	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_30	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_30	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_30	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_30	ClP(c1ccccc1)Cl	C644973
PUBCHEM_30	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_30	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_30	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_30	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_30	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_30	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_30	OP(OCC)OCC	C762049
PUBCHEM_30	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_30	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_30	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_30	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_30	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_30	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_30	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_30	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_30	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_30	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_30	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_30	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_30	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_30	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_30	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_30	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_30	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_30	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_30	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_30	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_30	ClCCP(=O)(O)O	C16672870
PUBCHEM_30	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_30	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_30	NP(=O)(OC)SC	C10265926
PUBCHEM_30	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_30	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_30	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_30	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_30	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_30	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_30	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_30	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_30	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_30	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_30	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_30	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_30	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_30	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_30	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_30	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_30	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_30	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_30	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_30	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_30	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_30	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_30	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_30	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_30	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_30	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_30	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_30	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_30	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_30	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_30	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_30	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_30	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_30	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_30	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_30	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_30	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_30	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_30	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_30	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_30	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_30	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_30	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_30	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_31	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_31	O=P(OC)(OC)OC	C512561
PUBCHEM_31	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_31	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_31	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_31	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_31	OP(=O)(O)O	C7664382
PUBCHEM_31	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_31	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_31	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_31	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_31	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_31	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_31	ClP(c1ccccc1)Cl	C644973
PUBCHEM_31	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_31	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_31	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_31	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_31	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_31	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_31	OP(OCC)OCC	C762049
PUBCHEM_31	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_31	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_31	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_31	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_31	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_31	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_31	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_31	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_31	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_31	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_31	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_31	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_31	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_31	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_31	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_31	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_31	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_31	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_31	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_31	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_31	ClCCP(=O)(O)O	C16672870
PUBCHEM_31	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_31	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_31	NP(=O)(OC)SC	C10265926
PUBCHEM_31	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_31	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_31	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_31	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_31	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_31	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_31	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_31	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_31	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_31	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_31	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_31	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_31	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_31	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_31	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_31	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_31	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_31	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_31	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_31	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_31	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_31	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_31	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_31	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_31	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_31	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_31	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_31	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_31	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_31	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_31	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_31	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_31	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_31	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_31	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_31	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_31	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_31	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_31	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_31	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_31	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_31	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_31	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_31	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_32	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_32	O=P(OC)(OC)OC	C512561
PUBCHEM_32	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_32	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_32	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_32	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_32	OP(=O)(O)O	C7664382
PUBCHEM_32	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_32	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_32	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_32	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_32	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_32	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_32	ClP(c1ccccc1)Cl	C644973
PUBCHEM_32	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_32	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_32	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_32	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_32	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_32	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_32	OP(OCC)OCC	C762049
PUBCHEM_32	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_32	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_32	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_32	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_32	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_32	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_32	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_32	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_32	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_32	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_32	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_32	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_32	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_32	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_32	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_32	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_32	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_32	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_32	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_32	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_32	ClCCP(=O)(O)O	C16672870
PUBCHEM_32	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_32	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_32	NP(=O)(OC)SC	C10265926
PUBCHEM_32	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_32	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_32	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_32	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_32	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_32	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_32	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_32	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_32	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_32	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_32	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_32	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_32	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_32	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_32	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_32	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_32	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_32	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_32	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_32	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_32	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_32	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_32	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_32	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_32	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_32	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_32	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_32	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_32	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_32	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_32	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_32	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_32	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_32	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_32	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_32	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_32	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_32	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_32	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_32	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_32	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_32	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_32	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_32	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_33	C=CCN=C=S	C57067
PUBCHEM_33	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_33	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_33	S=C(NCC)NCC	C105555
PUBCHEM_33	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_33	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_33	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_33	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_33	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_33	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_33	NC(=S)N	C62566
PUBCHEM_33	CS(=O)C	C67685
PUBCHEM_33	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_33	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_33	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_33	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_33	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_33	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_33	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_33	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_33	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_33	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_33	c1ccc2ncsc2c1	C95169
PUBCHEM_33	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_33	C(CCCCCC)CCCCCS	C112550
PUBCHEM_33	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_33	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_33	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_33	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_33	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_33	O=C(O)CS	C68111
PUBCHEM_33	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_33	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_33	Sc1ccccc1	C108985
PUBCHEM_33	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_33	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_33	NNC(=S)NN	C2231574
PUBCHEM_33	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_33	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_33	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_33	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_33	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_33	SC(C)(C)CCCCCC	C25360105
PUBCHEM_33	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_33	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_33	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_33	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_33	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_33	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_33	N#C[S-].[NH4+]	C1762954
PUBCHEM_33	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_33	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_33	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_33	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_33	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_33	OCCSCCCCCCCC	C3547339
PUBCHEM_33	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_33	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_33	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_33	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_33	O=S(=O)(N)O	C5329146
PUBCHEM_33	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_33	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_33	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_33	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_33	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_33	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_33	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_33	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_33	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_33	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_33	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_33	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_33	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_33	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_33	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_33	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_33	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_33	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_33	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_33	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_33	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_33	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_33	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_33	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_33	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_33	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_33	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_33	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_33	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_33	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_33	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_33	S=C(NC)NC	C534134
PUBCHEM_33	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_33	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_33	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_33	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_33	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_33	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_33	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_33	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_33	NNC(=S)NC	C6610293
PUBCHEM_33	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_33	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_33	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_33	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_33	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_33	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_33	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_33	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_33	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_33	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_33	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_33	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_33	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_33	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_33	Sc1ccc(C)cc1	C106456
PUBCHEM_33	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_33	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_33	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_33	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_33	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_33	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_33	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_33	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_33	S=C1NCCN1	C96457
PUBCHEM_33	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_33	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_33	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_33	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_33	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_33	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_33	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_33	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_33	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_33	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_33	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_33	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_33	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_33	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_33	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_33	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_33	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_33	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_33	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_33	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_33	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_33	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_33	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_33	NP(=O)(OC)SC	C10265926
PUBCHEM_33	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_33	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_33	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_33	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_33	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_33	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_33	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_33	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_33	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_33	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_33	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_33	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_33	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_33	CN1CN(C)CSC1=S	C533744
PUBCHEM_33	C(SC#N)SC#N	C6317186
PUBCHEM_33	S=C=NC	C556616
PUBCHEM_33	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_33	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_33	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_33	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_33	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_33	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_33	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_33	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_33	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_33	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_33	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_33	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_33	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_33	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_33	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_33	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_33	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_33	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_33	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_33	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_33	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_33	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_33	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_33	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_33	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_33	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_33	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_33	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_33	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_33	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_33	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_33	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_33	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_33	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_33	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_33	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_33	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_33	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_33	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_33	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_33	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_33	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_33	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_33	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_33	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_33	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_33	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_33	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_33	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_33	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_33	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_33	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_33	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_33	CS(=O)(=O)OC	C66273
PUBCHEM_33	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_33	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_33	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_33	O=S1(=O)CCCO1	C1120714
PUBCHEM_33	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_33	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_33	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_33	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_33	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_33	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_33	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_33	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_33	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_33	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_33	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_33	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_33	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_33	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_33	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_33	O=S(=O)(OCC)OCC	C64675
PUBCHEM_33	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_33	O=S(=O)(OC)OC	C77781
PUBCHEM_33	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_33	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_33	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_33	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_33	ON=CC(C)(C)SC	C1646759
PUBCHEM_33	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_33	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_33	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_33	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_33	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_33	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_33	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_33	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_33	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_33	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_33	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_33	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_33	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_33	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_33	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_33	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_33	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_33	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_33	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_33	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_33	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_33	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_33	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_33	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_33	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_33	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_33	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_33	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_33	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_33	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_33	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_33	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_33	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_33	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_33	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_33	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_33	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_33	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_33	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_33	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_33	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_33	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_33	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_33	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_33	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_33	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_33	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_33	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_33	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_33	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_33	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_33	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_33	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_33	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_33	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_33	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_33	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_33	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_33	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_33	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_33	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_33	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_33	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_33	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_33	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_33	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_33	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_33	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_33	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_33	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_33	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_33	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_33	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_33	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_33	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_33	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_33	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_33	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_33	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_33	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_33	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_33	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_33	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_33	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_33	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_33	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_33	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_33	S=C(NCCCC)NCCCC	C109466
PUBCHEM_33	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_33	O=CCCSC	C3268493
PUBCHEM_33	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_33	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_33	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_33	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_33	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_33	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_33	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_33	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_33	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_33	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_33	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_33	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_33	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_33	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_33	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_33	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_33	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_33	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_33	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_33	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_33	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_33	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_33	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_33	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_33	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_33	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_33	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_33	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_33	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_33	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_33	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_33	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_33	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_33	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_33	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_33	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_33	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_33	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_33	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_33	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_33	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_33	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_33	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_33	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_33	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_33	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_33	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_33	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_33	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_33	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_33	SC1CCCC1	C1679078
PUBCHEM_33	S=C=NCCCSC	C505793
PUBCHEM_33	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_33	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_33	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_33	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_33	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_33	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_34	C=CCN=C=S	C57067
PUBCHEM_34	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_34	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_34	S=C(NCC)NCC	C105555
PUBCHEM_34	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_34	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_34	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_34	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_34	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_34	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_34	NC(=S)N	C62566
PUBCHEM_34	CS(=O)C	C67685
PUBCHEM_34	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_34	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_34	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_34	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_34	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_34	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_34	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_34	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_34	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_34	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_34	c1ccc2ncsc2c1	C95169
PUBCHEM_34	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_34	C(CCCCCC)CCCCCS	C112550
PUBCHEM_34	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_34	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_34	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_34	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_34	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_34	O=C(O)CS	C68111
PUBCHEM_34	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_34	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_34	Sc1ccccc1	C108985
PUBCHEM_34	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_34	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_34	NNC(=S)NN	C2231574
PUBCHEM_34	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_34	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_34	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_34	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_34	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_34	SC(C)(C)CCCCCC	C25360105
PUBCHEM_34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_34	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_34	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_34	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_34	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_34	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_34	N#C[S-].[NH4+]	C1762954
PUBCHEM_34	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_34	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_34	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_34	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_34	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_34	OCCSCCCCCCCC	C3547339
PUBCHEM_34	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_34	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_34	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_34	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_34	O=S(=O)(N)O	C5329146
PUBCHEM_34	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_34	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_34	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_34	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_34	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_34	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_34	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_34	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_34	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_34	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_34	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_34	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_34	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_34	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_34	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_34	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_34	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_34	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_34	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_34	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_34	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_34	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_34	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_34	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_34	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_34	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_34	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_34	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_34	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_34	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_34	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_34	S=C(NC)NC	C534134
PUBCHEM_34	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_34	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_34	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_34	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_34	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_34	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_34	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_34	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_34	NNC(=S)NC	C6610293
PUBCHEM_34	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_34	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_34	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_34	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_34	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_34	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_34	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_34	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_34	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_34	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_34	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_34	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_34	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_34	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_34	Sc1ccc(C)cc1	C106456
PUBCHEM_34	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_34	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_34	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_34	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_34	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_34	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_34	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_34	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_34	S=C1NCCN1	C96457
PUBCHEM_34	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_34	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_34	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_34	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_34	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_34	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_34	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_34	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_34	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_34	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_34	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_34	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_34	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_34	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_34	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_34	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_34	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_34	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_34	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_34	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_34	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_34	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_34	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_34	NP(=O)(OC)SC	C10265926
PUBCHEM_34	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_34	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_34	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_34	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_34	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_34	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_34	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_34	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_34	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_34	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_34	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_34	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_34	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_34	CN1CN(C)CSC1=S	C533744
PUBCHEM_34	C(SC#N)SC#N	C6317186
PUBCHEM_34	S=C=NC	C556616
PUBCHEM_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_34	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_34	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_34	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_34	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_34	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_34	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_34	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_34	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_34	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_34	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_34	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_34	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_34	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_34	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_34	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_34	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_34	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_34	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_34	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_34	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_34	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_34	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_34	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_34	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_34	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_34	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_34	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_34	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_34	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_34	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_34	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_34	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_34	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_34	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_34	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_34	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_34	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_34	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_34	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_34	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_34	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_34	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_34	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_34	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_34	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_34	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_34	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_34	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_34	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_34	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_34	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_34	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_34	CS(=O)(=O)OC	C66273
PUBCHEM_34	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_34	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_34	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_34	O=S1(=O)CCCO1	C1120714
PUBCHEM_34	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_34	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_34	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_34	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_34	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_34	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_34	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_34	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_34	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_34	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_34	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_34	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_34	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_34	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_34	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_34	O=S(=O)(OCC)OCC	C64675
PUBCHEM_34	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_34	O=S(=O)(OC)OC	C77781
PUBCHEM_34	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_34	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_34	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_34	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_34	ON=CC(C)(C)SC	C1646759
PUBCHEM_34	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_34	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_34	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_34	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_34	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_34	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_34	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_34	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_34	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_34	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_34	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_34	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_34	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_34	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_34	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_34	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_34	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_34	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_34	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_34	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_34	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_34	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_34	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_34	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_34	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_34	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_34	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_34	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_34	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_34	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_34	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_34	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_34	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_34	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_34	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_34	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_34	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_34	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_34	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_34	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_34	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_34	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_34	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_34	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_34	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_34	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_34	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_34	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_34	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_34	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_34	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_34	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_34	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_34	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_34	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_34	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_34	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_34	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_34	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_34	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_34	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_34	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_34	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_34	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_34	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_34	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_34	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_34	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_34	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_34	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_34	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_34	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_34	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_34	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_34	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_34	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_34	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_34	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_34	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_34	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_34	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_34	S=C(NCCCC)NCCCC	C109466
PUBCHEM_34	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_34	O=CCCSC	C3268493
PUBCHEM_34	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_34	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_34	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_34	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_34	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_34	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_34	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_34	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_34	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_34	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_34	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_34	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_34	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_34	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_34	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_34	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_34	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_34	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_34	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_34	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_34	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_34	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_34	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_34	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_34	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_34	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_34	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_34	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_34	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_34	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_34	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_34	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_34	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_34	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_34	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_34	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_34	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_34	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_34	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_34	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_34	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_34	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_34	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_34	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_34	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_34	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_34	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_34	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_34	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_34	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_34	SC1CCCC1	C1679078
PUBCHEM_34	S=C=NCCCSC	C505793
PUBCHEM_34	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_34	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_34	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_34	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_34	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_34	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_35	C=CCN=C=S	C57067
PUBCHEM_35	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_35	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_35	S=C(NCC)NCC	C105555
PUBCHEM_35	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_35	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_35	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_35	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_35	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_35	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_35	NC(=S)N	C62566
PUBCHEM_35	CS(=O)C	C67685
PUBCHEM_35	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_35	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_35	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_35	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_35	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_35	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_35	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_35	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_35	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_35	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_35	c1ccc2ncsc2c1	C95169
PUBCHEM_35	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_35	C(CCCCCC)CCCCCS	C112550
PUBCHEM_35	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_35	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_35	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_35	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_35	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_35	O=C(O)CS	C68111
PUBCHEM_35	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_35	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_35	Sc1ccccc1	C108985
PUBCHEM_35	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_35	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_35	NNC(=S)NN	C2231574
PUBCHEM_35	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_35	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_35	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_35	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_35	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_35	SC(C)(C)CCCCCC	C25360105
PUBCHEM_35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_35	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_35	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_35	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_35	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_35	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_35	N#C[S-].[NH4+]	C1762954
PUBCHEM_35	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_35	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_35	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_35	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_35	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_35	OCCSCCCCCCCC	C3547339
PUBCHEM_35	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_35	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_35	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_35	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_35	O=S(=O)(N)O	C5329146
PUBCHEM_35	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_35	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_35	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_35	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_35	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_35	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_35	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_35	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_35	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_35	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_35	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_35	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_35	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_35	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_35	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_35	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_35	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_35	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_35	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_35	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_35	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_35	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_35	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_35	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_35	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_35	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_35	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_35	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_35	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_35	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_35	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_35	S=C(NC)NC	C534134
PUBCHEM_35	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_35	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_35	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_35	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_35	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_35	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_35	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_35	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_35	NNC(=S)NC	C6610293
PUBCHEM_35	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_35	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_35	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_35	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_35	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_35	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_35	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_35	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_35	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_35	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_35	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_35	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_35	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_35	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_35	Sc1ccc(C)cc1	C106456
PUBCHEM_35	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_35	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_35	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_35	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_35	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_35	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_35	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_35	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_35	S=C1NCCN1	C96457
PUBCHEM_35	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_35	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_35	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_35	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_35	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_35	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_35	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_35	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_35	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_35	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_35	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_35	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_35	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_35	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_35	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_35	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_35	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_35	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_35	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_35	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_35	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_35	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_35	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_35	NP(=O)(OC)SC	C10265926
PUBCHEM_35	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_35	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_35	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_35	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_35	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_35	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_35	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_35	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_35	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_35	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_35	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_35	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_35	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_35	CN1CN(C)CSC1=S	C533744
PUBCHEM_35	C(SC#N)SC#N	C6317186
PUBCHEM_35	S=C=NC	C556616
PUBCHEM_35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_35	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_35	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_35	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_35	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_35	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_35	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_35	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_35	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_35	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_35	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_35	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_35	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_35	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_35	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_35	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_35	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_35	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_35	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_35	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_35	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_35	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_35	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_35	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_35	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_35	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_35	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_35	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_35	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_35	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_35	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_35	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_35	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_35	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_35	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_35	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_35	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_35	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_35	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_35	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_35	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_35	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_35	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_35	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_35	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_35	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_35	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_35	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_35	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_35	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_35	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_35	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_35	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_35	CS(=O)(=O)OC	C66273
PUBCHEM_35	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_35	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_35	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_35	O=S1(=O)CCCO1	C1120714
PUBCHEM_35	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_35	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_35	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_35	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_35	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_35	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_35	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_35	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_35	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_35	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_35	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_35	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_35	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_35	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_35	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_35	O=S(=O)(OCC)OCC	C64675
PUBCHEM_35	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_35	O=S(=O)(OC)OC	C77781
PUBCHEM_35	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_35	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_35	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_35	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_35	ON=CC(C)(C)SC	C1646759
PUBCHEM_35	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_35	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_35	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_35	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_35	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_35	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_35	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_35	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_35	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_35	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_35	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_35	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_35	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_35	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_35	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_35	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_35	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_35	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_35	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_35	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_35	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_35	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_35	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_35	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_35	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_35	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_35	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_35	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_35	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_35	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_35	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_35	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_35	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_35	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_35	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_35	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_35	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_35	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_35	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_35	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_35	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_35	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_35	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_35	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_35	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_35	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_35	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_35	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_35	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_35	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_35	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_35	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_35	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_35	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_35	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_35	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_35	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_35	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_35	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_35	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_35	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_35	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_35	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_35	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_35	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_35	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_35	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_35	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_35	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_35	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_35	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_35	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_35	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_35	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_35	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_35	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_35	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_35	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_35	S=C(NCCCC)NCCCC	C109466
PUBCHEM_35	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_35	O=CCCSC	C3268493
PUBCHEM_35	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_35	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_35	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_35	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_35	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_35	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_35	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_35	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_35	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_35	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_35	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_35	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_35	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_35	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_35	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_35	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_35	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_35	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_35	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_35	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_35	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_35	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_35	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_35	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_35	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_35	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_35	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_35	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_35	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_35	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_35	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_35	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_35	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_35	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_35	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_35	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_35	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_35	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_35	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_35	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_35	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_35	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_35	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_35	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_35	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_35	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_35	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_35	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_35	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_35	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_35	SC1CCCC1	C1679078
PUBCHEM_35	S=C=NCCCSC	C505793
PUBCHEM_35	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_35	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_35	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_35	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_35	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_35	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_36	C=CCN=C=S	C57067
PUBCHEM_36	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_36	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_36	S=C(NCC)NCC	C105555
PUBCHEM_36	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_36	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_36	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_36	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_36	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_36	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_36	NC(=S)N	C62566
PUBCHEM_36	CS(=O)C	C67685
PUBCHEM_36	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_36	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_36	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_36	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_36	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_36	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_36	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_36	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_36	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_36	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_36	c1ccc2ncsc2c1	C95169
PUBCHEM_36	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_36	C(CCCCCC)CCCCCS	C112550
PUBCHEM_36	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_36	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_36	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_36	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_36	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_36	O=C(O)CS	C68111
PUBCHEM_36	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_36	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_36	Sc1ccccc1	C108985
PUBCHEM_36	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_36	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_36	NNC(=S)NN	C2231574
PUBCHEM_36	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_36	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_36	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_36	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_36	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_36	SC(C)(C)CCCCCC	C25360105
PUBCHEM_36	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_36	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_36	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_36	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_36	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_36	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_36	N#C[S-].[NH4+]	C1762954
PUBCHEM_36	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_36	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_36	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_36	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_36	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_36	OCCSCCCCCCCC	C3547339
PUBCHEM_36	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_36	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_36	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_36	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_36	O=S(=O)(N)O	C5329146
PUBCHEM_36	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_36	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_36	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_36	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_36	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_36	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_36	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_36	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_36	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_36	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_36	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_36	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_36	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_36	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_36	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_36	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_36	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_36	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_36	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_36	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_36	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_36	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_36	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_36	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_36	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_36	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_36	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_36	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_36	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_36	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_36	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_36	S=C(NC)NC	C534134
PUBCHEM_36	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_36	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_36	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_36	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_36	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_36	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_36	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_36	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_36	NNC(=S)NC	C6610293
PUBCHEM_36	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_36	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_36	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_36	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_36	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_36	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_36	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_36	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_36	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_36	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_36	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_36	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_36	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_36	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_36	Sc1ccc(C)cc1	C106456
PUBCHEM_36	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_36	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_36	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_36	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_36	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_36	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_36	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_36	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_36	S=C1NCCN1	C96457
PUBCHEM_36	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_36	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_36	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_36	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_36	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_36	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_36	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_36	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_36	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_36	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_36	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_36	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_36	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_36	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_36	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_36	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_36	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_36	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_36	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_36	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_36	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_36	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_36	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_36	NP(=O)(OC)SC	C10265926
PUBCHEM_36	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_36	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_36	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_36	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_36	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_36	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_36	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_36	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_36	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_36	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_36	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_36	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_36	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_36	CN1CN(C)CSC1=S	C533744
PUBCHEM_36	C(SC#N)SC#N	C6317186
PUBCHEM_36	S=C=NC	C556616
PUBCHEM_36	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_36	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_36	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_36	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_36	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_36	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_36	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_36	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_36	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_36	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_36	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_36	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_36	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_36	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_36	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_36	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_36	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_36	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_36	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_36	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_36	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_36	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_36	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_36	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_36	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_36	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_36	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_36	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_36	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_36	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_36	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_36	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_36	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_36	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_36	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_36	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_36	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_36	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_36	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_36	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_36	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_36	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_36	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_36	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_36	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_36	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_36	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_36	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_36	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_36	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_36	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_36	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_36	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_36	CS(=O)(=O)OC	C66273
PUBCHEM_36	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_36	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_36	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_36	O=S1(=O)CCCO1	C1120714
PUBCHEM_36	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_36	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_36	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_36	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_36	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_36	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_36	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_36	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_36	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_36	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_36	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_36	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_36	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_36	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_36	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_36	O=S(=O)(OCC)OCC	C64675
PUBCHEM_36	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_36	O=S(=O)(OC)OC	C77781
PUBCHEM_36	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_36	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_36	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_36	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_36	ON=CC(C)(C)SC	C1646759
PUBCHEM_36	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_36	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_36	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_36	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_36	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_36	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_36	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_36	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_36	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_36	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_36	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_36	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_36	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_36	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_36	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_36	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_36	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_36	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_36	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_36	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_36	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_36	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_36	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_36	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_36	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_36	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_36	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_36	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_36	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_36	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_36	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_36	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_36	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_36	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_36	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_36	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_36	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_36	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_36	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_36	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_36	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_36	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_36	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_36	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_36	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_36	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_36	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_36	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_36	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_36	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_36	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_36	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_36	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_36	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_36	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_36	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_36	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_36	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_36	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_36	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_36	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_36	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_36	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_36	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_36	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_36	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_36	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_36	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_36	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_36	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_36	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_36	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_36	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_36	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_36	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_36	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_36	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_36	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_36	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_36	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_36	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_36	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_36	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_36	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_36	S=C(NCCCC)NCCCC	C109466
PUBCHEM_36	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_36	O=CCCSC	C3268493
PUBCHEM_36	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_36	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_36	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_36	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_36	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_36	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_36	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_36	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_36	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_36	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_36	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_36	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_36	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_36	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_36	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_36	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_36	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_36	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_36	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_36	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_36	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_36	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_36	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_36	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_36	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_36	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_36	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_36	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_36	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_36	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_36	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_36	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_36	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_36	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_36	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_36	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_36	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_36	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_36	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_36	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_36	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_36	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_36	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_36	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_36	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_36	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_36	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_36	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_36	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_36	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_36	SC1CCCC1	C1679078
PUBCHEM_36	S=C=NCCCSC	C505793
PUBCHEM_36	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_36	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_36	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_36	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_36	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_36	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_37	Nc1ccccc1.Cl	C142041
PUBCHEM_37	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_37	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_37	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_37	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_37	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_37	O=CCCl	C107200
PUBCHEM_37	ClCOC	C107302
PUBCHEM_37	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_37	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_37	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_37	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_37	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_37	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_37	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_37	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_37	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_37	OC(CO)CCl	C96242
PUBCHEM_37	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_37	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_37	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_37	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_37	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_37	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_37	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_37	Nc1ccccc1C.Cl	C636215
PUBCHEM_37	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_37	ClCC(Cl)CCl	C96184
PUBCHEM_37	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_37	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_37	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_37	Oc1ccc(Cl)cc1	C106489
PUBCHEM_37	C=CC(Cl)CCl	C760236
PUBCHEM_37	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_37	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_37	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_37	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_37	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_37	Cl/C=C/Cl	C156605
PUBCHEM_37	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_37	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_37	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_37	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_37	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_37	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_37	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_37	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_37	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_37	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_37	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_37	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_37	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_37	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_37	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_37	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_37	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_37	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_37	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_37	ClP(c1ccccc1)Cl	C644973
PUBCHEM_37	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_37	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_37	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_37	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_37	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_37	Clc1cccc(C)c1	C25168052
PUBCHEM_37	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_37	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_37	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_37	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_37	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_37	ClC(Cl)(C)C	C594207
PUBCHEM_37	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_37	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_37	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_37	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_37	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_37	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_37	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_37	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_37	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_37	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_37	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_37	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_37	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_37	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_37	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_37	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_37	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_37	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_37	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_37	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_37	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_37	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_37	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_37	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_37	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_37	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_37	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_37	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_37	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_37	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_37	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_37	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_37	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_37	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_37	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_37	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_37	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_37	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_37	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_37	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_37	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_37	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_37	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_37	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_37	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_37	Cl[Dy](Cl)Cl	C10025748
PUBCHEM_37	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_37	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_37	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_37	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_37	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_37	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_37	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_37	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_37	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_37	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_37	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_37	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_37	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_37	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_37	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_37	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_37	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_37	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_37	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_37	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_37	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_37	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_37	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_37	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_37	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_37	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_37	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_37	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_37	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_37	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_37	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_37	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_37	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_37	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_37	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_37	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_37	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_37	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_37	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_37	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_37	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_37	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_37	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_37	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_37	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_37	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_37	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_37	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_37	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_37	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_37	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_37	ClCCP(=O)(O)O	C16672870
PUBCHEM_37	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_37	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_37	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_37	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_37	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_37	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_37	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_37	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_37	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_37	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_37	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_37	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_37	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_37	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_37	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_37	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_37	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_37	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_37	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_37	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_37	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_37	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_37	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_37	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_37	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_37	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_37	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_37	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_37	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_37	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_37	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_37	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_37	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_37	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_37	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_37	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_37	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_37	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_37	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_37	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_37	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_37	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_37	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_37	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_37	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_37	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_37	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_37	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_37	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_37	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_37	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_37	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_37	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_37	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_37	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_37	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_37	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_37	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_37	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_37	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_37	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_37	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_37	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_37	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_37	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_37	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_37	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_37	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_37	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_37	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_37	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_37	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_37	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_37	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_37	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_37	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_37	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_37	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_37	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_37	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_37	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_37	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_37	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_37	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_37	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_37	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_37	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_37	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_37	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_37	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_37	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_37	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_37	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_37	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_37	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_37	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_37	ClCCOCCCl	C111444
PUBCHEM_37	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_37	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_37	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_37	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_37	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_37	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_37	O=C(c1ccccc1)CCl	C532274
PUBCHEM_37	Nc1ccc(cc1)Cl	C106478
PUBCHEM_37	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_37	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_37	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_37	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_37	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_37	OC(=O)C(Cl)Cl	C79436
PUBCHEM_37	Clc1c(cccc1)Cl	C95501
PUBCHEM_37	Clc1ccc(cc1)Cl	C106467
PUBCHEM_37	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_37	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_37	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_37	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_37	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_37	O=C(N(C)C)Cl	C79447
PUBCHEM_37	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_37	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_37	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_37	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_37	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_37	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_37	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_37	[Hg+2].[Cl-].[Cl-]	C7487947
PUBCHEM_37	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_37	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_37	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_37	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_37	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_37	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_37	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_37	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_37	Oc1ccccc1Cl	C95578
PUBCHEM_37	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_37	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_37	ClCCO	C107073
PUBCHEM_37	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_37	Clc1cc(Cl)ccc1	C541731
PUBCHEM_37	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_37	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_37	Cc1ccccc1Cl	C95498
PUBCHEM_37	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_37	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_37	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_37	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_37	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_37	Cc1ccc(Cl)cc1	C106434
PUBCHEM_37	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_37	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_37	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_37	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_37	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_37	OC(CCl)CCl	C96231
PUBCHEM_37	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_37	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_37	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_37	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_37	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_37	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_37	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_37	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_37	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_37	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_37	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_37	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_37	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_37	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_37	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_37	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_37	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_37	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_37	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_37	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_37	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_37	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_37	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_37	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_37	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_37	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_37	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_37	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_37	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_37	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_37	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_37	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_37	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_37	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_37	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_37	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_37	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_37	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_37	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_37	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_37	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_37	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_37	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_37	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_37	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_37	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_37	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_37	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_37	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_37	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_37	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_37	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_37	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_37	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_37	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_37	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_37	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_37	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_37	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_37	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_37	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_37	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_37	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_37	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_37	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_37	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_37	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_37	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_37	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_37	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_37	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_37	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_37	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_37	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_37	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_37	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_37	[Cl-].[Cd+2].[Cl-]	C10108642
PUBCHEM_37	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_37	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_37	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_37	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_37	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_37	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_37	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_37	NNc1ccccc1.Cl	C59881
PUBCHEM_37	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_37	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_37	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_37	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_37	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_37	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_37	O=C(CCl)CCl	C534076
PUBCHEM_37	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_37	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_37	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_37	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_37	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_37	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_37	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_37	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_37	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_37	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_37	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_37	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_37	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_37	Cl[In](Cl)Cl	C10025828
PUBCHEM_37	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_37	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_37	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_37	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_37	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_37	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_37	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_37	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_37	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_37	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_37	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_37	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_37	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_37	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_37	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_37	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_37	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_37	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_37	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_37	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_37	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_37	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_37	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_37	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_37	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_37	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_37	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_37	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_37	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_37	Cl[Hg]c1ccccc1	C100561
PUBCHEM_37	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_37	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_37	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_37	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_37	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_37	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_37	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_37	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_37	Cl[Sb](Cl)Cl	C10025919
PUBCHEM_37	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_37	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_37	Cl[Au](Cl)Cl	C13453071
PUBCHEM_37	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_37	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_37	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_37	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_37	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_37	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_37	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_37	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_37	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_37	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_37	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_37	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_38	Nc1ccccc1.Cl	C142041
PUBCHEM_38	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_38	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_38	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_38	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_38	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_38	O=CCCl	C107200
PUBCHEM_38	ClCOC	C107302
PUBCHEM_38	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_38	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_38	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_38	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_38	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_38	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_38	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_38	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_38	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_38	OC(CO)CCl	C96242
PUBCHEM_38	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_38	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_38	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_38	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_38	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_38	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_38	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_38	Nc1ccccc1C.Cl	C636215
PUBCHEM_38	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_38	ClCC(Cl)CCl	C96184
PUBCHEM_38	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_38	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_38	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_38	Oc1ccc(Cl)cc1	C106489
PUBCHEM_38	C=CC(Cl)CCl	C760236
PUBCHEM_38	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_38	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_38	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_38	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_38	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_38	Cl/C=C/Cl	C156605
PUBCHEM_38	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_38	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_38	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_38	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_38	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_38	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_38	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_38	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_38	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_38	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_38	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_38	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_38	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_38	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_38	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_38	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_38	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_38	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_38	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_38	ClP(c1ccccc1)Cl	C644973
PUBCHEM_38	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_38	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_38	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_38	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_38	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_38	Clc1cccc(C)c1	C25168052
PUBCHEM_38	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_38	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_38	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_38	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_38	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_38	ClC(Cl)(C)C	C594207
PUBCHEM_38	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_38	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_38	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_38	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_38	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_38	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_38	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_38	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_38	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_38	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_38	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_38	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_38	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_38	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_38	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_38	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_38	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_38	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_38	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_38	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_38	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_38	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_38	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_38	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_38	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_38	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_38	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_38	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_38	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_38	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_38	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_38	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_38	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_38	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_38	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_38	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_38	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_38	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_38	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_38	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_38	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_38	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_38	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_38	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_38	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_38	Cl[Dy](Cl)Cl	C10025748
PUBCHEM_38	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_38	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_38	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_38	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_38	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_38	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_38	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_38	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_38	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_38	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_38	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_38	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_38	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_38	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_38	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_38	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_38	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_38	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_38	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_38	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_38	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_38	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_38	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_38	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_38	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_38	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_38	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_38	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_38	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_38	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_38	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_38	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_38	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_38	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_38	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_38	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_38	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_38	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_38	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_38	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_38	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_38	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_38	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_38	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_38	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_38	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_38	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_38	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_38	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_38	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_38	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_38	ClCCP(=O)(O)O	C16672870
PUBCHEM_38	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_38	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_38	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_38	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_38	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_38	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_38	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_38	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_38	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_38	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_38	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_38	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_38	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_38	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_38	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_38	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_38	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_38	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_38	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_38	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_38	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_38	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_38	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_38	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_38	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_38	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_38	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_38	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_38	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_38	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_38	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_38	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_38	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_38	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_38	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_38	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_38	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_38	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_38	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_38	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_38	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_38	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_38	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_38	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_38	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_38	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_38	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_38	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_38	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_38	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_38	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_38	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_38	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_38	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_38	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_38	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_38	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_38	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_38	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_38	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_38	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_38	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_38	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_38	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_38	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_38	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_38	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_38	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_38	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_38	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_38	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_38	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_38	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_38	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_38	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_38	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_38	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_38	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_38	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_38	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_38	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_38	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_38	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_38	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_38	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_38	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_38	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_38	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_38	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_38	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_38	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_38	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_38	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_38	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_38	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_38	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_38	ClCCOCCCl	C111444
PUBCHEM_38	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_38	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_38	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_38	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_38	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_38	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_38	O=C(c1ccccc1)CCl	C532274
PUBCHEM_38	Nc1ccc(cc1)Cl	C106478
PUBCHEM_38	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_38	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_38	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_38	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_38	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_38	OC(=O)C(Cl)Cl	C79436
PUBCHEM_38	Clc1c(cccc1)Cl	C95501
PUBCHEM_38	Clc1ccc(cc1)Cl	C106467
PUBCHEM_38	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_38	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_38	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_38	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_38	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_38	O=C(N(C)C)Cl	C79447
PUBCHEM_38	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_38	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_38	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_38	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_38	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_38	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_38	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_38	[Hg+2].[Cl-].[Cl-]	C7487947
PUBCHEM_38	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_38	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_38	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_38	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_38	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_38	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_38	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_38	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_38	Oc1ccccc1Cl	C95578
PUBCHEM_38	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_38	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_38	ClCCO	C107073
PUBCHEM_38	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_38	Clc1cc(Cl)ccc1	C541731
PUBCHEM_38	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_38	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_38	Cc1ccccc1Cl	C95498
PUBCHEM_38	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_38	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_38	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_38	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_38	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_38	Cc1ccc(Cl)cc1	C106434
PUBCHEM_38	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_38	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_38	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_38	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_38	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_38	OC(CCl)CCl	C96231
PUBCHEM_38	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_38	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_38	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_38	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_38	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_38	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_38	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_38	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_38	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_38	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_38	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_38	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_38	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_38	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_38	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_38	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_38	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_38	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_38	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_38	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_38	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_38	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_38	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_38	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_38	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_38	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_38	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_38	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_38	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_38	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_38	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_38	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_38	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_38	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_38	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_38	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_38	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_38	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_38	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_38	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_38	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_38	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_38	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_38	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_38	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_38	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_38	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_38	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_38	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_38	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_38	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_38	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_38	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_38	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_38	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_38	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_38	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_38	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_38	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_38	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_38	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_38	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_38	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_38	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_38	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_38	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_38	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_38	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_38	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_38	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_38	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_38	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_38	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_38	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_38	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_38	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_38	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_38	[Cl-].[Cd+2].[Cl-]	C10108642
PUBCHEM_38	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_38	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_38	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_38	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_38	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_38	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_38	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_38	NNc1ccccc1.Cl	C59881
PUBCHEM_38	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_38	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_38	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_38	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_38	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_38	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_38	O=C(CCl)CCl	C534076
PUBCHEM_38	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_38	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_38	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_38	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_38	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_38	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_38	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_38	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_38	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_38	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_38	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_38	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_38	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_38	Cl[In](Cl)Cl	C10025828
PUBCHEM_38	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_38	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_38	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_38	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_38	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_38	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_38	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_38	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_38	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_38	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_38	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_38	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_38	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_38	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_38	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_38	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_38	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_38	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_38	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_38	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_38	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_38	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_38	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_38	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_38	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_38	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_38	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_38	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_38	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_38	Cl[Hg]c1ccccc1	C100561
PUBCHEM_38	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_38	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_38	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_38	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_38	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_38	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_38	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_38	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_38	Cl[Sb](Cl)Cl	C10025919
PUBCHEM_38	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_38	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_38	Cl[Au](Cl)Cl	C13453071
PUBCHEM_38	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_38	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_38	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_38	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_38	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_38	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_38	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_38	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_38	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_38	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_38	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_38	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_39	Nc1ccccc1.Cl	C142041
PUBCHEM_39	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_39	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_39	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_39	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_39	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_39	O=CCCl	C107200
PUBCHEM_39	ClCOC	C107302
PUBCHEM_39	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_39	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_39	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_39	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_39	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_39	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_39	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_39	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_39	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_39	OC(CO)CCl	C96242
PUBCHEM_39	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_39	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_39	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_39	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_39	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_39	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_39	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_39	Nc1ccccc1C.Cl	C636215
PUBCHEM_39	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_39	ClCC(Cl)CCl	C96184
PUBCHEM_39	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_39	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_39	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_39	Oc1ccc(Cl)cc1	C106489
PUBCHEM_39	C=CC(Cl)CCl	C760236
PUBCHEM_39	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_39	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_39	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_39	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_39	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_39	Cl/C=C/Cl	C156605
PUBCHEM_39	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_39	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_39	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_39	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_39	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_39	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_39	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_39	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_39	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_39	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_39	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_39	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_39	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_39	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_39	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_39	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_39	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_39	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_39	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_39	ClP(c1ccccc1)Cl	C644973
PUBCHEM_39	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_39	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_39	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_39	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_39	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_39	Clc1cccc(C)c1	C25168052
PUBCHEM_39	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_39	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_39	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_39	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_39	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_39	ClC(Cl)(C)C	C594207
PUBCHEM_39	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_39	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_39	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_39	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_39	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_39	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_39	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_39	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_39	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_39	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_39	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_39	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_39	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_39	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_39	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_39	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_39	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_39	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_39	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_39	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_39	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_39	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_39	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_39	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_39	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_39	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_39	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_39	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_39	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_39	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_39	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_39	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_39	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_39	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_39	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_39	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_39	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_39	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_39	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_39	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_39	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_39	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_39	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_39	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_39	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_39	Cl[Dy](Cl)Cl	C10025748
PUBCHEM_39	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_39	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_39	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_39	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_39	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_39	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_39	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_39	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_39	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_39	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_39	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_39	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_39	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_39	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_39	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_39	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_39	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_39	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_39	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_39	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_39	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_39	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_39	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_39	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_39	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_39	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_39	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_39	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_39	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_39	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_39	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_39	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_39	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_39	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_39	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_39	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_39	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_39	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_39	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_39	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_39	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_39	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_39	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_39	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_39	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_39	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_39	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_39	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_39	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_39	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_39	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_39	ClCCP(=O)(O)O	C16672870
PUBCHEM_39	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_39	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_39	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_39	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_39	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_39	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_39	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_39	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_39	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_39	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_39	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_39	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_39	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_39	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_39	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_39	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_39	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_39	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_39	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_39	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_39	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_39	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_39	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_39	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_39	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_39	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_39	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_39	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_39	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_39	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_39	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_39	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_39	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_39	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_39	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_39	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_39	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_39	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_39	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_39	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_39	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_39	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_39	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_39	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_39	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_39	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_39	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_39	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_39	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_39	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_39	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_39	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_39	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_39	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_39	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_39	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_39	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_39	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_39	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_39	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_39	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_39	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_39	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_39	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_39	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_39	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_39	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_39	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_39	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_39	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_39	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_39	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_39	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_39	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_39	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_39	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_39	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_39	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_39	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_39	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_39	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_39	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_39	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_39	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_39	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_39	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_39	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_39	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_39	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_39	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_39	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_39	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_39	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_39	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_39	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_39	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_39	ClCCOCCCl	C111444
PUBCHEM_39	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_39	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_39	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_39	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_39	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_39	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_39	O=C(c1ccccc1)CCl	C532274
PUBCHEM_39	Nc1ccc(cc1)Cl	C106478
PUBCHEM_39	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_39	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_39	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_39	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_39	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_39	OC(=O)C(Cl)Cl	C79436
PUBCHEM_39	Clc1c(cccc1)Cl	C95501
PUBCHEM_39	Clc1ccc(cc1)Cl	C106467
PUBCHEM_39	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_39	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_39	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_39	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_39	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_39	O=C(N(C)C)Cl	C79447
PUBCHEM_39	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_39	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_39	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_39	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_39	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_39	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_39	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_39	[Hg+2].[Cl-].[Cl-]	C7487947
PUBCHEM_39	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_39	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_39	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_39	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_39	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_39	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_39	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_39	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_39	Oc1ccccc1Cl	C95578
PUBCHEM_39	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_39	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_39	ClCCO	C107073
PUBCHEM_39	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_39	Clc1cc(Cl)ccc1	C541731
PUBCHEM_39	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_39	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_39	Cc1ccccc1Cl	C95498
PUBCHEM_39	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_39	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_39	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_39	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_39	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_39	Cc1ccc(Cl)cc1	C106434
PUBCHEM_39	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_39	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_39	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_39	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_39	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_39	OC(CCl)CCl	C96231
PUBCHEM_39	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_39	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_39	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_39	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_39	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_39	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_39	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_39	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_39	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_39	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_39	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_39	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_39	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_39	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_39	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_39	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_39	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_39	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_39	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_39	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_39	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_39	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_39	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_39	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_39	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_39	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_39	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_39	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_39	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_39	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_39	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_39	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_39	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_39	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_39	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_39	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_39	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_39	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_39	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_39	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_39	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_39	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_39	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_39	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_39	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_39	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_39	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_39	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_39	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_39	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_39	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_39	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_39	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_39	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_39	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_39	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_39	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_39	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_39	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_39	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_39	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_39	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_39	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_39	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_39	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_39	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_39	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_39	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_39	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_39	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_39	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_39	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_39	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_39	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_39	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_39	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_39	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_39	[Cl-].[Cd+2].[Cl-]	C10108642
PUBCHEM_39	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_39	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_39	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_39	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_39	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_39	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_39	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_39	NNc1ccccc1.Cl	C59881
PUBCHEM_39	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_39	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_39	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_39	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_39	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_39	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_39	O=C(CCl)CCl	C534076
PUBCHEM_39	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_39	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_39	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_39	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_39	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_39	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_39	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_39	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_39	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_39	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_39	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_39	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_39	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_39	Cl[In](Cl)Cl	C10025828
PUBCHEM_39	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_39	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_39	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_39	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_39	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_39	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_39	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_39	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_39	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_39	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_39	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_39	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_39	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_39	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_39	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_39	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_39	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_39	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_39	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_39	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_39	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_39	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_39	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_39	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_39	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_39	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_39	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_39	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_39	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_39	Cl[Hg]c1ccccc1	C100561
PUBCHEM_39	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_39	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_39	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_39	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_39	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_39	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_39	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_39	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_39	Cl[Sb](Cl)Cl	C10025919
PUBCHEM_39	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_39	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_39	Cl[Au](Cl)Cl	C13453071
PUBCHEM_39	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_39	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_39	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_39	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_39	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_39	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_39	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_39	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_39	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_39	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_39	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_39	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_40	Nc1ccccc1.Cl	C142041
PUBCHEM_40	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_40	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_40	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_40	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_40	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_40	O=CCCl	C107200
PUBCHEM_40	ClCOC	C107302
PUBCHEM_40	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_40	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_40	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_40	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_40	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_40	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_40	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_40	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_40	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_40	OC(CO)CCl	C96242
PUBCHEM_40	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_40	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_40	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_40	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_40	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_40	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_40	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_40	Nc1ccccc1C.Cl	C636215
PUBCHEM_40	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_40	ClCC(Cl)CCl	C96184
PUBCHEM_40	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_40	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_40	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_40	Oc1ccc(Cl)cc1	C106489
PUBCHEM_40	C=CC(Cl)CCl	C760236
PUBCHEM_40	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_40	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_40	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_40	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_40	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_40	Cl/C=C/Cl	C156605
PUBCHEM_40	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_40	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_40	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_40	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_40	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_40	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_40	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_40	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_40	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_40	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_40	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_40	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_40	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_40	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_40	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_40	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_40	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_40	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_40	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_40	ClP(c1ccccc1)Cl	C644973
PUBCHEM_40	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_40	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_40	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_40	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_40	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_40	Clc1cccc(C)c1	C25168052
PUBCHEM_40	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_40	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_40	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_40	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_40	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_40	ClC(Cl)(C)C	C594207
PUBCHEM_40	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_40	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_40	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_40	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_40	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_40	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_40	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_40	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_40	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_40	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_40	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_40	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_40	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_40	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_40	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_40	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_40	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_40	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_40	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_40	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_40	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_40	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_40	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_40	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_40	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_40	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_40	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_40	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_40	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_40	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_40	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_40	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_40	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_40	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_40	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_40	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_40	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_40	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_40	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_40	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_40	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_40	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_40	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_40	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_40	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_40	Cl[Dy](Cl)Cl	C10025748
PUBCHEM_40	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_40	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_40	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_40	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_40	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_40	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_40	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_40	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_40	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_40	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_40	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_40	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_40	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_40	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_40	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_40	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_40	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_40	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_40	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_40	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_40	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_40	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_40	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_40	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_40	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_40	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_40	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_40	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_40	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_40	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_40	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_40	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_40	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_40	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_40	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_40	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_40	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_40	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_40	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_40	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_40	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_40	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_40	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_40	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_40	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_40	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_40	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_40	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_40	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_40	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_40	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_40	ClCCP(=O)(O)O	C16672870
PUBCHEM_40	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_40	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_40	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_40	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_40	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_40	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_40	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_40	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_40	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_40	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_40	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_40	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_40	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_40	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_40	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_40	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_40	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_40	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_40	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_40	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_40	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_40	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_40	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_40	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_40	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_40	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_40	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_40	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_40	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_40	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_40	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_40	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_40	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_40	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_40	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_40	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_40	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_40	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_40	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_40	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_40	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_40	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_40	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_40	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_40	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_40	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_40	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_40	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_40	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_40	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_40	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_40	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_40	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_40	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_40	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_40	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_40	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_40	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_40	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_40	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_40	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_40	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_40	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_40	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_40	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_40	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_40	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_40	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_40	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_40	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_40	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_40	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_40	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_40	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_40	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_40	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_40	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_40	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_40	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_40	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_40	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_40	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_40	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_40	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_40	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_40	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_40	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_40	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_40	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_40	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_40	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_40	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_40	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_40	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_40	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_40	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_40	ClCCOCCCl	C111444
PUBCHEM_40	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_40	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_40	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_40	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_40	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_40	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_40	O=C(c1ccccc1)CCl	C532274
PUBCHEM_40	Nc1ccc(cc1)Cl	C106478
PUBCHEM_40	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_40	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_40	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_40	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_40	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_40	OC(=O)C(Cl)Cl	C79436
PUBCHEM_40	Clc1c(cccc1)Cl	C95501
PUBCHEM_40	Clc1ccc(cc1)Cl	C106467
PUBCHEM_40	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_40	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_40	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_40	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_40	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_40	O=C(N(C)C)Cl	C79447
PUBCHEM_40	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_40	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_40	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_40	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_40	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_40	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_40	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_40	[Hg+2].[Cl-].[Cl-]	C7487947
PUBCHEM_40	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_40	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_40	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_40	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_40	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_40	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_40	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_40	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_40	Oc1ccccc1Cl	C95578
PUBCHEM_40	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_40	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_40	ClCCO	C107073
PUBCHEM_40	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_40	Clc1cc(Cl)ccc1	C541731
PUBCHEM_40	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_40	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_40	Cc1ccccc1Cl	C95498
PUBCHEM_40	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_40	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_40	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_40	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_40	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_40	Cc1ccc(Cl)cc1	C106434
PUBCHEM_40	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_40	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_40	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_40	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_40	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_40	OC(CCl)CCl	C96231
PUBCHEM_40	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_40	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_40	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_40	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_40	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_40	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_40	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_40	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_40	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_40	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_40	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_40	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_40	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_40	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_40	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_40	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_40	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_40	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_40	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_40	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_40	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_40	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_40	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_40	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_40	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_40	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_40	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_40	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_40	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_40	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_40	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_40	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_40	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_40	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_40	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_40	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_40	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_40	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_40	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_40	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_40	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_40	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_40	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_40	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_40	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_40	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_40	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_40	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_40	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_40	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_40	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_40	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_40	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_40	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_40	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_40	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_40	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_40	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_40	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_40	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_40	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_40	[Na+].[O-][Cl]=O	C7758192
PUBCHEM_40	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_40	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_40	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_40	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_40	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_40	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_40	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_40	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_40	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_40	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_40	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_40	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_40	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_40	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_40	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_40	[Cl-].[Cd+2].[Cl-]	C10108642
PUBCHEM_40	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_40	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_40	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_40	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_40	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_40	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_40	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_40	NNc1ccccc1.Cl	C59881
PUBCHEM_40	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_40	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_40	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_40	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_40	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_40	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_40	O=C(CCl)CCl	C534076
PUBCHEM_40	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_40	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_40	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_40	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_40	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_40	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_40	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_40	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_40	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_40	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_40	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_40	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_40	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_40	Cl[In](Cl)Cl	C10025828
PUBCHEM_40	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_40	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_40	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_40	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_40	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_40	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_40	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_40	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_40	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_40	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_40	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_40	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_40	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_40	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_40	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_40	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_40	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_40	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_40	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_40	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_40	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_40	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_40	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_40	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_40	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_40	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_40	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_40	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_40	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_40	Cl[Hg]c1ccccc1	C100561
PUBCHEM_40	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_40	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_40	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_40	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_40	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_40	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_40	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_40	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_40	Cl[Sb](Cl)Cl	C10025919
PUBCHEM_40	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_40	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_40	Cl[Au](Cl)Cl	C13453071
PUBCHEM_40	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_40	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_40	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_40	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_40	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_40	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_40	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_40	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_40	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_40	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_40	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_40	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_41	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_41	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_41	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_41	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_41	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_41	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_41	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_41	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_41	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_41	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_42	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_42	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_42	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_42	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_42	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_42	O=[Cl](=O)[O-].[K+]	C3811049
PUBCHEM_42	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_42	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_42	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_42	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_42	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_42	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_43	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_43	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_43	BrCCBr	C106934
PUBCHEM_43	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_43	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_43	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_43	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_43	Brc1ccc(F)cc1	C460004
PUBCHEM_43	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_43	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_43	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_43	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_43	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_43	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_43	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_43	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_43	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_43	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_43	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_43	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_43	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_43	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_43	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_43	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_43	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_43	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_43	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_43	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_43	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_43	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_43	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_43	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_43	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_43	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_43	N#CC(Br)Br	C3252435
PUBCHEM_43	OCCCBr	C627189
PUBCHEM_43	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_43	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_43	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_43	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_43	Nc1ccc(Br)cc1	C106401
PUBCHEM_43	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_43	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_43	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_43	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_43	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_43	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_43	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_43	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_43	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_43	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_43	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_43	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_43	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_43	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_43	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_43	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_43	BrCCCCCCCCCCCC	C143157
PUBCHEM_43	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_43	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_43	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_44	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_44	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_44	BrCCBr	C106934
PUBCHEM_44	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_44	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_44	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_44	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_44	Brc1ccc(F)cc1	C460004
PUBCHEM_44	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_44	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_44	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_44	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_44	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_44	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_44	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_44	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_44	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_44	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_44	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_44	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_44	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_44	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_44	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_44	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_44	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_44	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_44	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_44	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_44	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_44	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_44	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_44	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_44	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_44	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_44	N#CC(Br)Br	C3252435
PUBCHEM_44	OCCCBr	C627189
PUBCHEM_44	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_44	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_44	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_44	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_44	Nc1ccc(Br)cc1	C106401
PUBCHEM_44	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_44	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_44	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_44	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_44	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_44	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_44	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_44	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_44	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_44	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_44	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_44	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_44	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_44	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_44	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_44	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_44	BrCCCCCCCCCCCC	C143157
PUBCHEM_44	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_44	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_44	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_45	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_45	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_45	BrCCBr	C106934
PUBCHEM_45	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_45	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_45	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_45	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_45	Brc1ccc(F)cc1	C460004
PUBCHEM_45	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_45	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_45	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_45	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_45	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_45	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_45	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_45	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_45	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_45	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_45	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_45	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_45	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_45	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_45	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_45	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_45	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_45	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_45	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_45	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_45	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_45	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_45	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_45	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_45	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_45	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_45	N#CC(Br)Br	C3252435
PUBCHEM_45	OCCCBr	C627189
PUBCHEM_45	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_45	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_45	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_45	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_45	Nc1ccc(Br)cc1	C106401
PUBCHEM_45	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_45	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_45	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_45	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_45	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_45	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_45	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_45	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_45	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_45	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_45	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_45	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_45	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_45	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_45	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_45	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_45	BrCCCCCCCCCCCC	C143157
PUBCHEM_45	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_45	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_45	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_46	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_46	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_46	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_46	[Na]I	C7681825
PUBCHEM_46	NCCN.I.I	C5700492
PUBCHEM_46	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_46	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_46	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_46	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_46	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_46	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_46	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_46	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_46	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_46	[Hg+2].[I-].[I-]	C7774290
PUBCHEM_46	IC(=C(I)I)I	C513928
PUBCHEM_46	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_47	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_47	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_47	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_47	[Na]I	C7681825
PUBCHEM_47	NCCN.I.I	C5700492
PUBCHEM_47	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_47	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_47	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_47	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_47	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_47	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_47	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_47	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_47	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_47	[Hg+2].[I-].[I-]	C7774290
PUBCHEM_47	IC(=C(I)I)I	C513928
PUBCHEM_47	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_48	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_48	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_48	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_48	[Na]I	C7681825
PUBCHEM_48	NCCN.I.I	C5700492
PUBCHEM_48	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_48	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_48	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_48	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_48	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_48	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_48	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_48	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_48	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_48	[Hg+2].[I-].[I-]	C7774290
PUBCHEM_48	IC(=C(I)I)I	C513928
PUBCHEM_48	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_50	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_52	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_52	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_52	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_52	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_54	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_57	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_57	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_57	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_58	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_62	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_62	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_62	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_62	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_65	C[As](=O)(C)O	C75605
PUBCHEM_65	[As]#[In]	C1303113
PUBCHEM_65	O=[As]c1ccccc1	C637036
PUBCHEM_78	[Cl-].[Cd+2].[Cl-]	C10108642
PUBCHEM_78	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_79	[As]#[In]	C1303113
PUBCHEM_79	Cl[In](Cl)Cl	C10025828
PUBCHEM_79	Cl[In](Cl)Cl.O.O	C143983919
PUBCHEM_80	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_80	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_80	Cl[Sn](C)(C)Cl	C753731
PUBCHEM_80	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_80	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_80	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_80	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_80	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_80	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_80	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_80	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_81	Cl[Sb](Cl)Cl	C10025919
PUBCHEM_85	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_94	Cl[Au](Cl)Cl	C13453071
PUBCHEM_94	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_95	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_95	[Hg+2].[Cl-].[Cl-]	C7487947
PUBCHEM_95	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_95	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_95	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_95	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_95	[Hg+2].[I-].[I-]	C7774290
PUBCHEM_95	Cl[Hg]c1ccccc1	C100561
PUBCHEM_95	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_97	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_98	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_108	Cl[Dy](Cl)Cl	C10025748
PUBCHEM_115	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_115	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_115	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_115	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_115	C(OCCCC)C1CO1	C2426086
PUBCHEM_115	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_115	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_115	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_115	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_115	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_115	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_115	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_115	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_115	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_115	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_115	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_115	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_115	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_115	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_115	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_115	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_115	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_115	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_115	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_115	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_115	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_115	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_115	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_115	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_115	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_115	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_115	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_115	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_115	OCC1CO1	C556525
PUBCHEM_115	C1C(c2ccccc2)O1	C96093
PUBCHEM_115	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_115	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_115	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_115	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_115	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_115	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_115	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_115	CCC1CO1	C106887
PUBCHEM_115	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_115	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_115	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_115	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_115	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_115	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_116	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_116	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_116	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_116	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_116	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_116	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_116	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_116	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_116	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_116	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_116	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_116	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_116	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_116	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_116	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_116	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_116	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_116	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_116	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_116	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_116	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_116	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_116	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_116	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_116	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_116	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_117	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_117	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_118	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_118	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_118	C(OCCCC)C1CO1	C2426086
PUBCHEM_118	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_118	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_118	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_118	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_118	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_118	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_118	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_118	OCC1CO1	C556525
PUBCHEM_118	C1C(c2ccccc2)O1	C96093
PUBCHEM_118	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_118	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_118	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_118	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_118	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_118	CCC1CO1	C106887
PUBCHEM_118	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_118	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_118	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_118	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_118	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_122	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_122	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_122	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_122	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_122	C(OCCCC)C1CO1	C2426086
PUBCHEM_122	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_122	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_122	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_122	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_122	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_122	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_122	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_122	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_122	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_122	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_122	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_122	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_122	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_122	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_122	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_122	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_122	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_122	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_122	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_122	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_122	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_122	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_122	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_122	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_122	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_122	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_122	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_122	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_122	OCC1CO1	C556525
PUBCHEM_122	C1C(c2ccccc2)O1	C96093
PUBCHEM_122	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_122	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_122	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_122	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_122	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_122	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_122	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_122	CCC1CO1	C106887
PUBCHEM_122	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_122	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_122	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_122	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_122	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_122	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_123	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_123	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_123	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_123	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_123	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_123	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_123	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_123	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_123	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_123	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_123	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_123	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_123	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_123	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_123	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_123	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_123	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_123	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_123	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_123	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_123	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_123	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_123	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_123	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_123	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_123	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_124	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_124	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_125	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_125	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_125	C(OCCCC)C1CO1	C2426086
PUBCHEM_125	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_125	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_125	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_125	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_125	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_125	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_125	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_125	OCC1CO1	C556525
PUBCHEM_125	C1C(c2ccccc2)O1	C96093
PUBCHEM_125	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_125	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_125	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_125	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_125	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_125	CCC1CO1	C106887
PUBCHEM_125	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_125	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_125	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_125	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_125	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_129	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_129	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_129	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_129	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_129	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_129	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_129	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_129	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_129	CC1CC(=O)O1	C3068880
PUBCHEM_130	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_130	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_130	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_130	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_130	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_130	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_132	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_132	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_132	CC1CC(=O)O1	C3068880
PUBCHEM_136	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_136	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_136	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_136	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_136	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_136	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_136	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_136	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_136	CC1CC(=O)O1	C3068880
PUBCHEM_137	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_137	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_137	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_137	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_137	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_137	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_139	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_139	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_139	CC1CC(=O)O1	C3068880
PUBCHEM_143	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_143	c1(nc[nH]n1)N	C61825
PUBCHEM_143	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_143	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_143	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_143	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_143	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_143	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_143	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_143	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_143	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_143	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_143	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_143	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_143	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_143	c1cccc2[nH]ccc12	C120729
PUBCHEM_143	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_143	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_143	O=NN1CCCC1	C930552
PUBCHEM_143	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_143	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_143	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_143	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_143	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_143	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_143	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_143	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_143	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_143	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_143	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_143	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_143	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_143	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_143	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_143	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_143	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_143	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_143	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_143	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_143	c1ccc2ncsc2c1	C95169
PUBCHEM_143	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_143	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_143	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_143	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_143	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_143	c1c(CO)occ1	C98000
PUBCHEM_143	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_143	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_143	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_143	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_143	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_143	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_143	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_143	O=C1OCC(C)O1	C108327
PUBCHEM_143	C1=CC=CC1	C542927
PUBCHEM_143	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_143	O=C1NCCC1	C616455
PUBCHEM_143	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_143	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_143	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_143	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_143	OCC1OCCC1	C97994
PUBCHEM_143	O=C1CCCC1	C120923
PUBCHEM_143	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_143	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_143	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_143	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_143	n1c[nH]cc1	C288324
PUBCHEM_143	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_143	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_143	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_143	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_143	OCn1nc(C)cc1C	C85264331
PUBCHEM_143	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_143	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_143	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_143	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_143	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_143	OC1CCCC1	C96413
PUBCHEM_143	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_143	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_143	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_143	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_143	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_143	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_143	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_143	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_143	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_143	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_143	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_143	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_143	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_143	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_143	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_143	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_143	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_143	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_143	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_143	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_143	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_143	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_143	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_143	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_143	O=C1OCC(CC)O1	C4437858
PUBCHEM_143	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_143	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_143	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_143	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_143	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_143	O=C1CCC(O1)CC	C695067
PUBCHEM_143	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_143	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_143	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_143	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_143	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_143	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_143	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_143	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_143	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_143	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_143	c12ccccc1CC=C2	C95136
PUBCHEM_143	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_143	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_143	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_143	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_143	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_143	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_143	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_143	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_143	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_143	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_143	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_143	O=C1OC(CCC)CC1	C105215
PUBCHEM_143	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_143	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_143	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_143	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_143	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_143	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_143	S=C1NCCN1	C96457
PUBCHEM_143	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_143	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_143	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_143	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_143	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_143	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_143	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_143	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_143	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_143	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_143	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_143	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_143	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_143	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_143	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_143	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_143	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_143	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_143	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_143	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_143	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_143	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_143	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_143	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_143	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_143	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_143	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_143	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_143	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_143	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_143	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_143	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_143	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_143	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_143	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_143	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_143	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_143	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_143	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_143	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_143	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_143	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_143	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_143	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_143	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_143	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_143	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_143	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_143	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_143	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_143	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_143	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_143	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_143	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_143	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_143	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_143	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_143	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_143	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_143	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_143	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_143	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_143	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_143	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_143	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_143	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_143	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_143	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_143	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_143	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_143	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_143	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_143	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_143	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_143	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_143	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_143	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_143	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_143	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_143	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_143	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_143	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_143	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_143	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_143	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_143	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_143	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_143	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_143	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_143	c1coc2c1cccc2	C271896
PUBCHEM_143	O=C1CCCO1	C96480
PUBCHEM_143	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_143	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_143	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_143	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_143	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_143	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_143	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_143	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_143	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_143	O=Cc1ccco1	C98011
PUBCHEM_143	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_143	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_143	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_143	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_143	O=C1N(CCC1)C	C872504
PUBCHEM_143	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_143	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_143	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_143	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_143	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_143	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_143	O=S1(=O)CCCO1	C1120714
PUBCHEM_143	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_143	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_143	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_143	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_143	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_143	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_143	O=C1N(C=C)CCC1	C88120
PUBCHEM_143	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_143	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_143	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_143	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_143	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_143	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_143	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_143	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_143	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_143	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_143	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_143	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_143	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_143	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_143	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_143	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_143	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_143	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_143	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_143	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_143	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_143	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_143	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_143	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_143	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_143	[nH]1ncnc1	C288880
PUBCHEM_143	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_143	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_143	CCC12N(COC1)COC2	C7747355
PUBCHEM_143	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_143	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_143	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_143	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_143	Nn1cnnc1	C584134
PUBCHEM_143	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_143	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_143	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_143	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_143	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_143	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_143	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_143	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_143	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_143	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_143	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_143	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_143	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_143	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_143	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_143	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_143	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_143	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_143	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_143	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_143	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_143	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_143	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_143	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_143	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_143	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_143	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_143	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_143	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_143	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_143	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_143	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_143	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_143	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_143	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_143	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_143	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_143	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_143	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_143	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_143	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_143	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_143	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_143	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_143	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_143	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_143	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_143	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_143	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_143	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_143	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_143	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_143	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_143	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_143	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_143	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_143	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_143	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_143	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_143	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_143	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_143	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_143	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_143	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_143	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_143	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_143	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_143	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_143	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_143	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_143	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_143	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_143	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_143	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_143	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_143	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_143	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_143	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_143	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_143	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_143	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_143	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_143	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_143	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_143	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_143	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_143	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_143	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_143	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_143	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_143	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_143	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_143	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_143	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_143	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_143	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_143	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_143	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_143	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_143	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_143	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_143	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_143	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_143	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_143	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_143	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_143	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_143	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_143	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_143	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_143	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_143	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_143	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_143	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_143	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_143	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_143	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_143	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_143	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_143	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_143	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_143	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_143	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_143	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_143	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_143	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_143	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_143	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_143	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_143	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_143	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_143	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_143	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_143	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_143	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_143	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_143	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_143	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_143	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_143	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_143	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_143	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_143	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_143	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_143	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_143	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_143	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_143	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_143	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_143	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_143	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_143	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_143	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_143	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_143	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_143	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_143	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_143	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_143	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_143	SC1CCCC1	C1679078
PUBCHEM_143	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_143	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_143	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_143	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_143	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_143	CCCCCc1ccco1	C3777693
PUBCHEM_144	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_144	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_144	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_144	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_144	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_144	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_144	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_144	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_144	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_144	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_144	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_144	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_144	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_144	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_144	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_144	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_144	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_144	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_144	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_144	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_144	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_144	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_144	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_144	O=C1CCCC1	C120923
PUBCHEM_144	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_144	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_144	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_144	OC1CCCC1	C96413
PUBCHEM_144	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_144	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_144	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_144	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_144	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_144	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_144	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_144	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_144	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_144	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_144	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_144	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_144	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_144	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_144	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_144	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_144	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_144	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_144	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_144	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_144	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_144	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_144	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_144	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_144	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_144	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_144	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_144	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_144	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_144	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_144	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_144	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_144	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_144	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_144	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_144	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_144	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_144	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_144	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_144	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_144	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_144	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_144	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_144	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_144	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_144	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_144	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_144	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_144	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_144	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_144	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_144	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_144	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_144	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_144	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_144	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_144	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_144	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_144	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_144	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_144	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_144	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_144	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_144	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_144	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_144	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_144	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_144	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_144	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_144	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_144	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_144	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_144	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_144	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_144	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_144	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_144	SC1CCCC1	C1679078
PUBCHEM_144	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_144	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_145	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_145	c1(nc[nH]n1)N	C61825
PUBCHEM_145	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_145	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_145	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_145	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_145	c1cccc2[nH]ccc12	C120729
PUBCHEM_145	O=NN1CCCC1	C930552
PUBCHEM_145	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_145	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_145	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_145	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_145	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_145	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_145	c1ccc2ncsc2c1	C95169
PUBCHEM_145	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_145	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_145	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_145	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_145	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_145	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_145	O=C1NCCC1	C616455
PUBCHEM_145	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_145	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_145	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_145	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_145	n1c[nH]cc1	C288324
PUBCHEM_145	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_145	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_145	OCn1nc(C)cc1C	C85264331
PUBCHEM_145	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_145	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_145	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_145	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_145	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_145	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_145	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_145	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_145	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_145	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_145	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_145	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_145	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_145	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_145	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_145	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_145	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_145	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_145	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_145	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_145	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_145	S=C1NCCN1	C96457
PUBCHEM_145	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_145	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_145	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_145	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_145	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_145	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_145	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_145	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_145	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_145	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_145	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_145	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_145	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_145	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_145	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_145	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_145	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_145	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_145	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_145	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_145	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_145	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_145	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_145	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_145	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_145	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_145	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_145	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_145	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_145	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_145	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_145	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_145	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_145	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_145	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_145	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_145	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_145	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_145	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_145	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_145	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_145	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_145	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_145	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_145	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_145	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_145	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_145	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_145	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_145	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_145	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_145	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_145	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_145	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_145	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_145	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_145	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_145	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_145	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_145	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_145	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_145	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_145	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_145	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_145	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_145	O=C1N(CCC1)C	C872504
PUBCHEM_145	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_145	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_145	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_145	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_145	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_145	O=C1N(C=C)CCC1	C88120
PUBCHEM_145	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_145	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_145	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_145	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_145	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_145	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_145	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_145	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_145	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_145	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_145	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_145	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_145	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_145	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_145	[nH]1ncnc1	C288880
PUBCHEM_145	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_145	CCC12N(COC1)COC2	C7747355
PUBCHEM_145	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_145	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_145	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_145	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_145	Nn1cnnc1	C584134
PUBCHEM_145	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_145	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_145	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_145	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_145	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_145	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_145	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_145	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_145	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_145	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_145	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_145	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_145	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_145	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_145	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_145	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_145	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_145	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_145	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_145	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_145	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_145	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_145	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_145	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_145	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_145	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_145	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_145	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_145	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_145	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_145	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_145	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_145	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_145	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_145	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_145	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_145	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_145	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_145	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_145	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_145	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_145	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_145	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_145	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_145	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_145	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_145	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_145	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_145	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_145	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_145	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_145	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_145	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_145	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_145	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_145	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_145	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_145	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_145	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_145	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_145	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_145	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_145	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_145	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_145	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_145	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_145	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_145	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_145	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_145	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_145	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_145	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_145	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_145	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_145	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_145	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_145	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_145	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_145	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_145	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_145	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_145	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_145	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_145	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_145	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_145	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_145	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_145	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_145	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_145	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_145	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_145	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_146	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_146	c1(nc[nH]n1)N	C61825
PUBCHEM_146	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_146	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_146	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_146	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_146	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_146	c1cccc2[nH]ccc12	C120729
PUBCHEM_146	O=NN1CCCC1	C930552
PUBCHEM_146	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_146	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_146	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_146	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_146	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_146	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_146	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_146	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_146	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_146	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_146	c1ccc2ncsc2c1	C95169
PUBCHEM_146	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_146	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_146	c1c(CO)occ1	C98000
PUBCHEM_146	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_146	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_146	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_146	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_146	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_146	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_146	O=C1OCC(C)O1	C108327
PUBCHEM_146	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_146	O=C1NCCC1	C616455
PUBCHEM_146	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_146	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_146	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_146	OCC1OCCC1	C97994
PUBCHEM_146	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_146	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_146	n1c[nH]cc1	C288324
PUBCHEM_146	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_146	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_146	OCn1nc(C)cc1C	C85264331
PUBCHEM_146	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_146	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_146	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_146	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_146	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_146	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_146	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_146	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_146	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_146	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_146	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_146	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_146	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_146	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_146	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_146	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_146	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_146	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_146	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_146	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_146	O=C1OCC(CC)O1	C4437858
PUBCHEM_146	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_146	O=C1CCC(O1)CC	C695067
PUBCHEM_146	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_146	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_146	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_146	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_146	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_146	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_146	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_146	O=C1OC(CCC)CC1	C105215
PUBCHEM_146	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_146	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_146	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_146	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_146	S=C1NCCN1	C96457
PUBCHEM_146	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_146	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_146	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_146	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_146	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_146	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_146	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_146	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_146	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_146	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_146	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_146	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_146	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_146	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_146	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_146	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_146	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_146	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_146	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_146	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_146	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_146	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_146	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_146	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_146	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_146	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_146	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_146	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_146	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_146	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_146	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_146	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_146	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_146	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_146	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_146	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_146	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_146	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_146	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_146	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_146	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_146	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_146	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_146	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_146	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_146	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_146	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_146	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_146	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_146	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_146	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_146	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_146	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_146	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_146	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_146	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_146	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_146	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_146	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_146	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_146	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_146	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_146	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_146	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_146	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_146	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_146	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_146	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_146	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_146	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_146	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_146	c1coc2c1cccc2	C271896
PUBCHEM_146	O=C1CCCO1	C96480
PUBCHEM_146	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_146	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_146	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_146	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_146	O=Cc1ccco1	C98011
PUBCHEM_146	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_146	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_146	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_146	O=C1N(CCC1)C	C872504
PUBCHEM_146	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_146	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_146	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_146	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_146	O=S1(=O)CCCO1	C1120714
PUBCHEM_146	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_146	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_146	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_146	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_146	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_146	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_146	O=C1N(C=C)CCC1	C88120
PUBCHEM_146	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_146	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_146	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_146	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_146	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_146	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_146	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_146	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_146	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_146	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_146	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_146	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_146	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_146	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_146	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_146	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_146	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_146	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_146	[nH]1ncnc1	C288880
PUBCHEM_146	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_146	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_146	CCC12N(COC1)COC2	C7747355
PUBCHEM_146	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_146	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_146	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_146	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_146	Nn1cnnc1	C584134
PUBCHEM_146	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_146	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_146	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_146	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_146	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_146	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_146	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_146	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_146	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_146	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_146	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_146	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_146	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_146	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_146	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_146	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_146	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_146	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_146	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_146	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_146	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_146	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_146	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_146	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_146	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_146	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_146	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_146	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_146	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_146	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_146	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_146	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_146	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_146	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_146	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_146	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_146	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_146	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_146	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_146	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_146	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_146	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_146	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_146	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_146	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_146	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_146	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_146	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_146	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_146	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_146	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_146	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_146	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_146	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_146	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_146	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_146	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_146	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_146	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_146	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_146	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_146	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_146	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_146	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_146	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_146	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_146	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_146	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_146	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_146	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_146	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_146	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_146	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_146	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_146	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_146	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_146	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_146	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_146	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_146	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_146	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_146	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_146	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_146	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_146	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_146	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_146	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_146	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_146	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_146	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_146	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_146	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_146	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_146	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_146	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_146	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_146	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_146	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_146	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_146	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_146	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_146	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_146	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_146	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_146	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_146	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_146	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_146	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_146	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_146	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_146	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_146	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_146	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_146	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_146	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_146	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_146	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_146	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_146	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_146	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_146	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_146	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_146	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_146	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_146	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_146	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_146	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_146	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_146	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_146	CCCCCc1ccco1	C3777693
PUBCHEM_150	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_150	c1(nc[nH]n1)N	C61825
PUBCHEM_150	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_150	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_150	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_150	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_150	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_150	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_150	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_150	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_150	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_150	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_150	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_150	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_150	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_150	c1cccc2[nH]ccc12	C120729
PUBCHEM_150	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_150	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_150	O=NN1CCCC1	C930552
PUBCHEM_150	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_150	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_150	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_150	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_150	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_150	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_150	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_150	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_150	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_150	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_150	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_150	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_150	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_150	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_150	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_150	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_150	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_150	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_150	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_150	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_150	c1ccc2ncsc2c1	C95169
PUBCHEM_150	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_150	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_150	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_150	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_150	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_150	c1c(CO)occ1	C98000
PUBCHEM_150	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_150	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_150	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_150	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_150	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_150	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_150	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_150	O=C1OCC(C)O1	C108327
PUBCHEM_150	C1=CC=CC1	C542927
PUBCHEM_150	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_150	O=C1NCCC1	C616455
PUBCHEM_150	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_150	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_150	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_150	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_150	OCC1OCCC1	C97994
PUBCHEM_150	O=C1CCCC1	C120923
PUBCHEM_150	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_150	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_150	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_150	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_150	n1c[nH]cc1	C288324
PUBCHEM_150	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_150	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_150	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_150	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_150	OCn1nc(C)cc1C	C85264331
PUBCHEM_150	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_150	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_150	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_150	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_150	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_150	OC1CCCC1	C96413
PUBCHEM_150	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_150	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_150	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_150	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_150	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_150	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_150	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_150	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_150	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_150	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_150	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_150	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_150	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_150	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_150	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_150	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_150	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_150	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_150	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_150	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_150	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_150	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_150	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_150	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_150	O=C1OCC(CC)O1	C4437858
PUBCHEM_150	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_150	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_150	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_150	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_150	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_150	O=C1CCC(O1)CC	C695067
PUBCHEM_150	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_150	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_150	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_150	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_150	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_150	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_150	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_150	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_150	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_150	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_150	c12ccccc1CC=C2	C95136
PUBCHEM_150	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_150	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_150	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_150	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_150	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_150	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_150	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_150	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_150	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_150	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_150	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_150	O=C1OC(CCC)CC1	C105215
PUBCHEM_150	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_150	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_150	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_150	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_150	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_150	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_150	S=C1NCCN1	C96457
PUBCHEM_150	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_150	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_150	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_150	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_150	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_150	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_150	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_150	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_150	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_150	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_150	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_150	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_150	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_150	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_150	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_150	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_150	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_150	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_150	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_150	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_150	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_150	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_150	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_150	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_150	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_150	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_150	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_150	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_150	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_150	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_150	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_150	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_150	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_150	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_150	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_150	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_150	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_150	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_150	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_150	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_150	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_150	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_150	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_150	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_150	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_150	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_150	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_150	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_150	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_150	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_150	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_150	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_150	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_150	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_150	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_150	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_150	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_150	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_150	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_150	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_150	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_150	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_150	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_150	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_150	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_150	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_150	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_150	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_150	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_150	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_150	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_150	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_150	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_150	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_150	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_150	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_150	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_150	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_150	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_150	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_150	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_150	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_150	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_150	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_150	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_150	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_150	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_150	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_150	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_150	c1coc2c1cccc2	C271896
PUBCHEM_150	O=C1CCCO1	C96480
PUBCHEM_150	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_150	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_150	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_150	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_150	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_150	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_150	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_150	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_150	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_150	O=Cc1ccco1	C98011
PUBCHEM_150	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_150	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_150	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_150	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_150	O=C1N(CCC1)C	C872504
PUBCHEM_150	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_150	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_150	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_150	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_150	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_150	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_150	O=S1(=O)CCCO1	C1120714
PUBCHEM_150	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_150	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_150	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_150	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_150	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_150	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_150	O=C1N(C=C)CCC1	C88120
PUBCHEM_150	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_150	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_150	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_150	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_150	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_150	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_150	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_150	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_150	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_150	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_150	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_150	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_150	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_150	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_150	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_150	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_150	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_150	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_150	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_150	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_150	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_150	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_150	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_150	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_150	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_150	[nH]1ncnc1	C288880
PUBCHEM_150	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_150	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_150	CCC12N(COC1)COC2	C7747355
PUBCHEM_150	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_150	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_150	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_150	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_150	Nn1cnnc1	C584134
PUBCHEM_150	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_150	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_150	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_150	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_150	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_150	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_150	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_150	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_150	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_150	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_150	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_150	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_150	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_150	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_150	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_150	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_150	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_150	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_150	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_150	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_150	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_150	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_150	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_150	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_150	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_150	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_150	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_150	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_150	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_150	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_150	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_150	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_150	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_150	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_150	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_150	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_150	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_150	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_150	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_150	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_150	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_150	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_150	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_150	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_150	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_150	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_150	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_150	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_150	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_150	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_150	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_150	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_150	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_150	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_150	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_150	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_150	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_150	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_150	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_150	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_150	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_150	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_150	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_150	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_150	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_150	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_150	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_150	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_150	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_150	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_150	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_150	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_150	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_150	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_150	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_150	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_150	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_150	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_150	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_150	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_150	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_150	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_150	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_150	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_150	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_150	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_150	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_150	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_150	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_150	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_150	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_150	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_150	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_150	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_150	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_150	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_150	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_150	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_150	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_150	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_150	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_150	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_150	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_150	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_150	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_150	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_150	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_150	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_150	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_150	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_150	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_150	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_150	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_150	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_150	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_150	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_150	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_150	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_150	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_150	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_150	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_150	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_150	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_150	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_150	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_150	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_150	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_150	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_150	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_150	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_150	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_150	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_150	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_150	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_150	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_150	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_150	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_150	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_150	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_150	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_150	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_150	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_150	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_150	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_150	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_150	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_150	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_150	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_150	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_150	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_150	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_150	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_150	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_150	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_150	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_150	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_150	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_150	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_150	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_150	SC1CCCC1	C1679078
PUBCHEM_150	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_150	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_150	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_150	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_150	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_150	CCCCCc1ccco1	C3777693
PUBCHEM_151	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_151	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_151	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_151	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_151	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_151	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_151	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_151	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_151	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_151	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_151	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_151	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_151	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_151	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_151	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_151	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_151	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_151	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_151	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_151	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_151	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_151	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_151	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_151	O=C1CCCC1	C120923
PUBCHEM_151	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_151	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_151	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_151	OC1CCCC1	C96413
PUBCHEM_151	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_151	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_151	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_151	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_151	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_151	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_151	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_151	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_151	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_151	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_151	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_151	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_151	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_151	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_151	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_151	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_151	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_151	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_151	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_151	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_151	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_151	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_151	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_151	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_151	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_151	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_151	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_151	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_151	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_151	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_151	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_151	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_151	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_151	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_151	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_151	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_151	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_151	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_151	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_151	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_151	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_151	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_151	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_151	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_151	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_151	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_151	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_151	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_151	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_151	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_151	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_151	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_151	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_151	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_151	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_151	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_151	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_151	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_151	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_151	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_151	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_151	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_151	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_151	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_151	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_151	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_151	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_151	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_151	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_151	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_151	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_151	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_151	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_151	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_151	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_151	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_151	SC1CCCC1	C1679078
PUBCHEM_151	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_151	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_152	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_152	c1(nc[nH]n1)N	C61825
PUBCHEM_152	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_152	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_152	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_152	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_152	c1cccc2[nH]ccc12	C120729
PUBCHEM_152	O=NN1CCCC1	C930552
PUBCHEM_152	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_152	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_152	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_152	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_152	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_152	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_152	c1ccc2ncsc2c1	C95169
PUBCHEM_152	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_152	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_152	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_152	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_152	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_152	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_152	O=C1NCCC1	C616455
PUBCHEM_152	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_152	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_152	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_152	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_152	n1c[nH]cc1	C288324
PUBCHEM_152	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_152	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_152	OCn1nc(C)cc1C	C85264331
PUBCHEM_152	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_152	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_152	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_152	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_152	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_152	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_152	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_152	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_152	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_152	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_152	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_152	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_152	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_152	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_152	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_152	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_152	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_152	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_152	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_152	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_152	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_152	S=C1NCCN1	C96457
PUBCHEM_152	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_152	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_152	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_152	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_152	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_152	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_152	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_152	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_152	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_152	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_152	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_152	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_152	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_152	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_152	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_152	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_152	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_152	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_152	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_152	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_152	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_152	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_152	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_152	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_152	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_152	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_152	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_152	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_152	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_152	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_152	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_152	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_152	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_152	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_152	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_152	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_152	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_152	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_152	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_152	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_152	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_152	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_152	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_152	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_152	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_152	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_152	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_152	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_152	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_152	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_152	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_152	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_152	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_152	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_152	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_152	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_152	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_152	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_152	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_152	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_152	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_152	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_152	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_152	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_152	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_152	O=C1N(CCC1)C	C872504
PUBCHEM_152	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_152	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_152	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_152	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_152	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_152	O=C1N(C=C)CCC1	C88120
PUBCHEM_152	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_152	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_152	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_152	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_152	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_152	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_152	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_152	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_152	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_152	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_152	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_152	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_152	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_152	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_152	[nH]1ncnc1	C288880
PUBCHEM_152	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_152	CCC12N(COC1)COC2	C7747355
PUBCHEM_152	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_152	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_152	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_152	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_152	Nn1cnnc1	C584134
PUBCHEM_152	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_152	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_152	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_152	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_152	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_152	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_152	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_152	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_152	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_152	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_152	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_152	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_152	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_152	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_152	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_152	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_152	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_152	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_152	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_152	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_152	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_152	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_152	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_152	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_152	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_152	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_152	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_152	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_152	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_152	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_152	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_152	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_152	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_152	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_152	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_152	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_152	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_152	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_152	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_152	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_152	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_152	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_152	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_152	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_152	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_152	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_152	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_152	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_152	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_152	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_152	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_152	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_152	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_152	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_152	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_152	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_152	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_152	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_152	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_152	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_152	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_152	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_152	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_152	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_152	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_152	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_152	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_152	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_152	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_152	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_152	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_152	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_152	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_152	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_152	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_152	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_152	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_152	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_152	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_152	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_152	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_152	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_152	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_152	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_152	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_152	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_152	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_152	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_152	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_152	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_152	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_152	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_153	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_153	c1(nc[nH]n1)N	C61825
PUBCHEM_153	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_153	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_153	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_153	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_153	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_153	c1cccc2[nH]ccc12	C120729
PUBCHEM_153	O=NN1CCCC1	C930552
PUBCHEM_153	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_153	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_153	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_153	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_153	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_153	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_153	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_153	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_153	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_153	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_153	c1ccc2ncsc2c1	C95169
PUBCHEM_153	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_153	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_153	c1c(CO)occ1	C98000
PUBCHEM_153	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_153	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_153	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_153	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_153	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_153	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_153	O=C1OCC(C)O1	C108327
PUBCHEM_153	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_153	O=C1NCCC1	C616455
PUBCHEM_153	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_153	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_153	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_153	OCC1OCCC1	C97994
PUBCHEM_153	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_153	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_153	n1c[nH]cc1	C288324
PUBCHEM_153	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_153	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_153	OCn1nc(C)cc1C	C85264331
PUBCHEM_153	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_153	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_153	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_153	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_153	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_153	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_153	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_153	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_153	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_153	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_153	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_153	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_153	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_153	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_153	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_153	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_153	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_153	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_153	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_153	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_153	O=C1OCC(CC)O1	C4437858
PUBCHEM_153	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_153	O=C1CCC(O1)CC	C695067
PUBCHEM_153	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_153	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_153	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_153	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_153	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_153	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_153	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_153	O=C1OC(CCC)CC1	C105215
PUBCHEM_153	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_153	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_153	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_153	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_153	S=C1NCCN1	C96457
PUBCHEM_153	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_153	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_153	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_153	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_153	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_153	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_153	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_153	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_153	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_153	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_153	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_153	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_153	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_153	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_153	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_153	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_153	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_153	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_153	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_153	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_153	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_153	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_153	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_153	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_153	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_153	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_153	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_153	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_153	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_153	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_153	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_153	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_153	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_153	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_153	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_153	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_153	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_153	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_153	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_153	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_153	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_153	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_153	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_153	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_153	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_153	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_153	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_153	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_153	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_153	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_153	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_153	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_153	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_153	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_153	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_153	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_153	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_153	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_153	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_153	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_153	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_153	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_153	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_153	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_153	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_153	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_153	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_153	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_153	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_153	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_153	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_153	c1coc2c1cccc2	C271896
PUBCHEM_153	O=C1CCCO1	C96480
PUBCHEM_153	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_153	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_153	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_153	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_153	O=Cc1ccco1	C98011
PUBCHEM_153	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_153	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_153	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_153	O=C1N(CCC1)C	C872504
PUBCHEM_153	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_153	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_153	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_153	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_153	O=S1(=O)CCCO1	C1120714
PUBCHEM_153	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_153	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_153	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_153	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_153	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_153	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_153	O=C1N(C=C)CCC1	C88120
PUBCHEM_153	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_153	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_153	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_153	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_153	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_153	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_153	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_153	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_153	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_153	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_153	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_153	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_153	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_153	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_153	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_153	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_153	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_153	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_153	[nH]1ncnc1	C288880
PUBCHEM_153	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_153	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_153	CCC12N(COC1)COC2	C7747355
PUBCHEM_153	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_153	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_153	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_153	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_153	Nn1cnnc1	C584134
PUBCHEM_153	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_153	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_153	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_153	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_153	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_153	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_153	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_153	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_153	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_153	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_153	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_153	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_153	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_153	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_153	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_153	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_153	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_153	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_153	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_153	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_153	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_153	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_153	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_153	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_153	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_153	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_153	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_153	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_153	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_153	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_153	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_153	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_153	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_153	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_153	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_153	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_153	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_153	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_153	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_153	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_153	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_153	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_153	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_153	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_153	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_153	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_153	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_153	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_153	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_153	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_153	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_153	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_153	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_153	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_153	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_153	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_153	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_153	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_153	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_153	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_153	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_153	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_153	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_153	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_153	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_153	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_153	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_153	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_153	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_153	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_153	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_153	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_153	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_153	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_153	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_153	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_153	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_153	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_153	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_153	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_153	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_153	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_153	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_153	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_153	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_153	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_153	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_153	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_153	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_153	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_153	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_153	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_153	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_153	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_153	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_153	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_153	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_153	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_153	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_153	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_153	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_153	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_153	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_153	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_153	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_153	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_153	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_153	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_153	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_153	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_153	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_153	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_153	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_153	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_153	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_153	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_153	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_153	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_153	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_153	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_153	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_153	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_153	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_153	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_153	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_153	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_153	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_153	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_153	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_153	CCCCCc1ccco1	C3777693
PUBCHEM_157	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_157	c1(nc[nH]n1)N	C61825
PUBCHEM_157	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_157	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_157	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_157	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_157	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_157	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_157	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_157	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_157	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_157	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_157	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_157	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_157	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_157	c1cccc2[nH]ccc12	C120729
PUBCHEM_157	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_157	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_157	O=NN1CCCC1	C930552
PUBCHEM_157	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_157	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_157	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_157	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_157	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_157	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_157	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_157	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_157	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_157	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_157	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_157	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_157	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_157	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_157	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_157	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_157	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_157	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_157	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_157	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_157	c1ccc2ncsc2c1	C95169
PUBCHEM_157	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_157	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_157	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_157	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_157	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_157	c1c(CO)occ1	C98000
PUBCHEM_157	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_157	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_157	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_157	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_157	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_157	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_157	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_157	O=C1OCC(C)O1	C108327
PUBCHEM_157	C1=CC=CC1	C542927
PUBCHEM_157	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_157	O=C1NCCC1	C616455
PUBCHEM_157	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_157	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_157	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_157	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_157	OCC1OCCC1	C97994
PUBCHEM_157	O=C1CCCC1	C120923
PUBCHEM_157	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_157	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_157	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_157	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_157	n1c[nH]cc1	C288324
PUBCHEM_157	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_157	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_157	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_157	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_157	OCn1nc(C)cc1C	C85264331
PUBCHEM_157	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_157	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_157	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_157	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_157	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_157	OC1CCCC1	C96413
PUBCHEM_157	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_157	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_157	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_157	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_157	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_157	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_157	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_157	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_157	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_157	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_157	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_157	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_157	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_157	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_157	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_157	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_157	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_157	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_157	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_157	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_157	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_157	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_157	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_157	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_157	O=C1OCC(CC)O1	C4437858
PUBCHEM_157	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_157	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_157	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_157	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_157	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_157	O=C1CCC(O1)CC	C695067
PUBCHEM_157	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_157	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_157	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_157	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_157	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_157	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_157	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_157	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_157	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_157	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_157	c12ccccc1CC=C2	C95136
PUBCHEM_157	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_157	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_157	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_157	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_157	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_157	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_157	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_157	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_157	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_157	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_157	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_157	O=C1OC(CCC)CC1	C105215
PUBCHEM_157	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_157	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_157	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_157	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_157	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_157	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_157	S=C1NCCN1	C96457
PUBCHEM_157	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_157	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_157	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_157	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_157	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_157	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_157	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_157	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_157	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_157	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_157	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_157	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_157	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_157	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_157	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_157	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_157	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_157	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_157	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_157	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_157	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_157	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_157	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_157	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_157	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_157	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_157	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_157	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_157	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_157	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_157	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_157	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_157	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_157	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_157	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_157	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_157	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_157	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_157	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_157	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_157	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_157	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_157	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_157	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_157	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_157	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_157	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_157	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_157	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_157	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_157	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_157	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_157	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_157	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_157	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_157	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_157	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_157	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_157	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_157	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_157	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_157	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_157	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_157	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_157	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_157	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_157	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_157	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_157	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_157	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_157	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_157	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_157	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_157	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_157	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_157	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_157	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_157	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_157	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_157	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_157	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_157	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_157	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_157	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_157	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_157	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_157	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_157	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_157	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_157	c1coc2c1cccc2	C271896
PUBCHEM_157	O=C1CCCO1	C96480
PUBCHEM_157	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_157	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_157	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_157	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_157	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_157	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_157	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_157	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_157	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_157	O=Cc1ccco1	C98011
PUBCHEM_157	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_157	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_157	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_157	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_157	O=C1N(CCC1)C	C872504
PUBCHEM_157	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_157	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_157	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_157	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_157	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_157	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_157	O=S1(=O)CCCO1	C1120714
PUBCHEM_157	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_157	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_157	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_157	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_157	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_157	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_157	O=C1N(C=C)CCC1	C88120
PUBCHEM_157	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_157	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_157	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_157	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_157	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_157	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_157	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_157	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_157	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_157	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_157	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_157	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_157	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_157	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_157	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_157	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_157	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_157	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_157	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_157	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_157	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_157	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_157	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_157	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_157	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_157	[nH]1ncnc1	C288880
PUBCHEM_157	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_157	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_157	CCC12N(COC1)COC2	C7747355
PUBCHEM_157	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_157	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_157	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_157	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_157	Nn1cnnc1	C584134
PUBCHEM_157	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_157	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_157	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_157	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_157	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_157	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_157	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_157	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_157	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_157	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_157	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_157	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_157	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_157	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_157	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_157	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_157	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_157	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_157	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_157	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_157	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_157	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_157	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_157	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_157	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_157	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_157	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_157	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_157	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_157	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_157	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_157	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_157	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_157	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_157	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_157	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_157	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_157	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_157	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_157	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_157	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_157	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_157	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_157	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_157	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_157	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_157	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_157	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_157	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_157	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_157	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_157	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_157	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_157	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_157	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_157	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_157	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_157	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_157	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_157	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_157	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_157	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_157	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_157	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_157	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_157	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_157	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_157	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_157	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_157	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_157	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_157	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_157	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_157	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_157	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_157	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_157	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_157	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_157	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_157	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_157	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_157	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_157	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_157	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_157	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_157	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_157	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_157	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_157	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_157	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_157	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_157	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_157	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_157	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_157	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_157	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_157	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_157	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_157	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_157	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_157	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_157	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_157	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_157	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_157	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_157	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_157	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_157	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_157	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_157	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_157	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_157	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_157	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_157	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_157	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_157	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_157	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_157	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_157	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_157	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_157	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_157	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_157	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_157	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_157	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_157	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_157	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_157	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_157	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_157	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_157	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_157	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_157	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_157	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_157	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_157	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_157	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_157	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_157	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_157	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_157	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_157	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_157	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_157	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_157	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_157	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_157	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_157	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_157	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_157	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_157	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_157	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_157	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_157	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_157	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_157	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_157	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_157	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_157	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_157	SC1CCCC1	C1679078
PUBCHEM_157	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_157	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_157	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_157	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_157	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_157	CCCCCc1ccco1	C3777693
PUBCHEM_158	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_158	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_158	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_158	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_158	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_158	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_158	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_158	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_158	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_158	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_158	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_158	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_158	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_158	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_158	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_158	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_158	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_158	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_158	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_158	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_158	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_158	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_158	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_158	O=C1CCCC1	C120923
PUBCHEM_158	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_158	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_158	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_158	OC1CCCC1	C96413
PUBCHEM_158	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_158	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_158	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_158	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_158	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_158	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_158	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_158	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_158	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_158	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_158	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_158	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_158	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_158	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_158	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_158	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_158	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_158	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_158	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_158	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_158	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_158	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_158	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_158	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_158	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_158	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_158	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_158	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_158	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_158	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_158	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_158	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_158	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_158	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_158	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_158	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_158	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_158	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_158	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_158	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_158	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_158	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_158	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_158	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_158	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_158	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_158	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_158	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_158	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_158	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_158	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_158	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_158	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_158	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_158	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_158	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_158	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_158	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_158	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_158	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_158	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_158	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_158	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_158	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_158	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_158	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_158	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_158	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_158	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_158	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_158	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_158	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_158	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_158	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_158	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_158	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_158	SC1CCCC1	C1679078
PUBCHEM_158	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_158	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_159	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_159	c1(nc[nH]n1)N	C61825
PUBCHEM_159	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_159	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_159	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_159	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_159	c1cccc2[nH]ccc12	C120729
PUBCHEM_159	O=NN1CCCC1	C930552
PUBCHEM_159	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_159	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_159	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_159	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_159	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_159	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_159	c1ccc2ncsc2c1	C95169
PUBCHEM_159	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_159	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_159	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_159	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_159	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_159	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_159	O=C1NCCC1	C616455
PUBCHEM_159	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_159	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_159	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_159	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_159	n1c[nH]cc1	C288324
PUBCHEM_159	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_159	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_159	OCn1nc(C)cc1C	C85264331
PUBCHEM_159	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_159	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_159	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_159	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_159	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_159	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_159	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_159	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_159	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_159	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_159	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_159	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_159	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_159	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_159	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_159	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_159	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_159	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_159	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_159	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_159	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_159	S=C1NCCN1	C96457
PUBCHEM_159	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_159	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_159	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_159	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_159	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_159	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_159	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_159	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_159	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_159	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_159	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_159	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_159	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_159	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_159	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_159	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_159	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_159	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_159	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_159	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_159	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_159	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_159	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_159	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_159	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_159	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_159	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_159	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_159	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_159	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_159	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_159	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_159	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_159	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_159	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_159	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_159	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_159	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_159	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_159	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_159	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_159	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_159	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_159	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_159	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_159	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_159	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_159	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_159	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_159	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_159	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_159	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_159	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_159	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_159	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_159	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_159	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_159	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_159	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_159	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_159	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_159	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_159	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_159	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_159	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_159	O=C1N(CCC1)C	C872504
PUBCHEM_159	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_159	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_159	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_159	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_159	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_159	O=C1N(C=C)CCC1	C88120
PUBCHEM_159	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_159	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_159	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_159	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_159	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_159	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_159	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_159	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_159	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_159	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_159	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_159	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_159	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_159	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_159	[nH]1ncnc1	C288880
PUBCHEM_159	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_159	CCC12N(COC1)COC2	C7747355
PUBCHEM_159	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_159	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_159	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_159	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_159	Nn1cnnc1	C584134
PUBCHEM_159	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_159	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_159	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_159	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_159	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_159	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_159	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_159	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_159	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_159	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_159	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_159	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_159	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_159	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_159	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_159	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_159	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_159	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_159	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_159	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_159	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_159	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_159	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_159	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_159	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_159	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_159	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_159	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_159	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_159	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_159	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_159	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_159	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_159	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_159	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_159	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_159	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_159	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_159	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_159	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_159	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_159	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_159	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_159	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_159	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_159	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_159	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_159	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_159	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_159	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_159	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_159	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_159	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_159	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_159	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_159	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_159	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_159	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_159	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_159	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_159	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_159	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_159	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_159	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_159	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_159	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_159	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_159	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_159	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_159	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_159	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_159	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_159	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_159	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_159	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_159	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_159	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_159	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_159	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_159	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_159	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_159	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_159	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_159	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_159	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_159	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_159	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_159	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_159	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_159	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_159	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_159	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_160	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_160	c1(nc[nH]n1)N	C61825
PUBCHEM_160	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_160	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_160	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_160	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_160	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_160	c1cccc2[nH]ccc12	C120729
PUBCHEM_160	O=NN1CCCC1	C930552
PUBCHEM_160	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_160	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_160	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_160	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_160	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_160	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_160	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_160	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_160	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_160	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_160	c1ccc2ncsc2c1	C95169
PUBCHEM_160	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_160	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_160	c1c(CO)occ1	C98000
PUBCHEM_160	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_160	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_160	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_160	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_160	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_160	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_160	O=C1OCC(C)O1	C108327
PUBCHEM_160	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_160	O=C1NCCC1	C616455
PUBCHEM_160	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_160	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_160	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_160	OCC1OCCC1	C97994
PUBCHEM_160	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_160	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_160	n1c[nH]cc1	C288324
PUBCHEM_160	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_160	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_160	OCn1nc(C)cc1C	C85264331
PUBCHEM_160	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_160	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_160	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_160	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_160	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_160	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_160	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_160	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_160	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_160	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_160	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_160	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_160	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_160	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_160	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_160	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_160	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_160	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_160	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_160	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_160	O=C1OCC(CC)O1	C4437858
PUBCHEM_160	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_160	O=C1CCC(O1)CC	C695067
PUBCHEM_160	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_160	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_160	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_160	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_160	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_160	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_160	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_160	O=C1OC(CCC)CC1	C105215
PUBCHEM_160	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_160	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_160	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_160	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_160	S=C1NCCN1	C96457
PUBCHEM_160	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_160	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_160	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_160	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_160	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_160	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_160	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_160	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_160	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_160	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_160	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_160	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_160	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_160	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_160	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_160	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_160	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_160	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_160	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_160	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_160	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_160	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_160	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_160	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_160	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_160	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_160	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_160	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_160	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_160	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_160	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_160	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_160	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_160	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_160	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_160	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_160	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_160	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_160	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_160	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_160	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_160	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_160	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_160	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_160	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_160	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_160	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_160	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_160	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_160	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_160	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_160	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_160	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_160	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_160	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_160	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_160	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_160	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_160	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_160	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_160	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_160	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_160	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_160	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_160	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_160	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_160	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_160	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_160	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_160	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_160	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_160	c1coc2c1cccc2	C271896
PUBCHEM_160	O=C1CCCO1	C96480
PUBCHEM_160	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_160	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_160	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_160	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_160	O=Cc1ccco1	C98011
PUBCHEM_160	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_160	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_160	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_160	O=C1N(CCC1)C	C872504
PUBCHEM_160	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_160	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_160	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_160	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_160	O=S1(=O)CCCO1	C1120714
PUBCHEM_160	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_160	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_160	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_160	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_160	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_160	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_160	O=C1N(C=C)CCC1	C88120
PUBCHEM_160	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_160	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_160	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_160	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_160	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_160	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_160	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_160	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_160	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_160	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_160	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_160	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_160	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_160	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_160	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_160	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_160	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_160	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_160	[nH]1ncnc1	C288880
PUBCHEM_160	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_160	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_160	CCC12N(COC1)COC2	C7747355
PUBCHEM_160	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_160	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_160	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_160	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_160	Nn1cnnc1	C584134
PUBCHEM_160	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_160	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_160	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_160	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_160	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_160	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_160	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_160	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_160	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_160	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_160	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_160	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_160	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_160	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_160	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_160	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_160	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_160	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_160	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_160	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_160	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_160	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_160	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_160	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_160	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_160	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_160	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_160	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_160	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_160	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_160	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_160	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_160	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_160	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_160	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_160	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_160	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_160	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_160	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_160	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_160	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_160	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_160	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_160	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_160	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_160	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_160	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_160	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_160	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_160	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_160	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_160	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_160	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_160	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_160	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_160	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_160	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_160	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_160	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_160	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_160	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_160	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_160	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_160	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_160	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_160	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_160	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_160	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_160	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_160	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_160	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_160	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_160	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_160	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_160	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_160	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_160	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_160	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_160	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_160	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_160	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_160	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_160	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_160	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_160	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_160	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_160	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_160	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_160	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_160	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_160	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_160	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_160	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_160	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_160	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_160	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_160	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_160	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_160	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_160	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_160	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_160	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_160	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_160	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_160	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_160	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_160	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_160	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_160	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_160	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_160	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_160	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_160	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_160	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_160	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_160	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_160	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_160	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_160	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_160	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_160	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_160	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_160	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_160	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_160	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_160	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_160	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_160	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_160	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_160	CCCCCc1ccco1	C3777693
PUBCHEM_164	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_164	c1(nc[nH]n1)N	C61825
PUBCHEM_164	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_164	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_164	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_164	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_164	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_164	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_164	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_164	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_164	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_164	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_164	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_164	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_164	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_164	c1cccc2[nH]ccc12	C120729
PUBCHEM_164	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_164	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_164	O=NN1CCCC1	C930552
PUBCHEM_164	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_164	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_164	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_164	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_164	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_164	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_164	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_164	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_164	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_164	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_164	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_164	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_164	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_164	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_164	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_164	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_164	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_164	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_164	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_164	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_164	c1ccc2ncsc2c1	C95169
PUBCHEM_164	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_164	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_164	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_164	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_164	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_164	c1c(CO)occ1	C98000
PUBCHEM_164	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_164	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_164	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_164	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_164	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_164	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_164	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_164	O=C1OCC(C)O1	C108327
PUBCHEM_164	C1=CC=CC1	C542927
PUBCHEM_164	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_164	O=C1NCCC1	C616455
PUBCHEM_164	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_164	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_164	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_164	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_164	OCC1OCCC1	C97994
PUBCHEM_164	O=C1CCCC1	C120923
PUBCHEM_164	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_164	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_164	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_164	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_164	n1c[nH]cc1	C288324
PUBCHEM_164	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_164	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_164	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_164	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_164	OCn1nc(C)cc1C	C85264331
PUBCHEM_164	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_164	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_164	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_164	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_164	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_164	OC1CCCC1	C96413
PUBCHEM_164	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_164	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_164	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_164	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_164	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_164	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_164	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_164	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_164	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_164	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_164	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_164	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_164	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_164	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_164	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_164	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_164	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_164	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_164	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_164	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_164	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_164	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_164	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_164	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_164	O=C1OCC(CC)O1	C4437858
PUBCHEM_164	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_164	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_164	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_164	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_164	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_164	O=C1CCC(O1)CC	C695067
PUBCHEM_164	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_164	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_164	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_164	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_164	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_164	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_164	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_164	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_164	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_164	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_164	c12ccccc1CC=C2	C95136
PUBCHEM_164	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_164	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_164	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_164	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_164	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_164	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_164	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_164	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_164	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_164	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_164	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_164	O=C1OC(CCC)CC1	C105215
PUBCHEM_164	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_164	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_164	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_164	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_164	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_164	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_164	S=C1NCCN1	C96457
PUBCHEM_164	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_164	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_164	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_164	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_164	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_164	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_164	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_164	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_164	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_164	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_164	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_164	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_164	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_164	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_164	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_164	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_164	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_164	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_164	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_164	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_164	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_164	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_164	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_164	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_164	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_164	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_164	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_164	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_164	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_164	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_164	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_164	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_164	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_164	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_164	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_164	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_164	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_164	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_164	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_164	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_164	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_164	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_164	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_164	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_164	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_164	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_164	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_164	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_164	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_164	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_164	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_164	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_164	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_164	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_164	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_164	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_164	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_164	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_164	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_164	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_164	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_164	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_164	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_164	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_164	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_164	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_164	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_164	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_164	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_164	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_164	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_164	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_164	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_164	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_164	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_164	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_164	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_164	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_164	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_164	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_164	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_164	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_164	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_164	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_164	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_164	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_164	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_164	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_164	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_164	c1coc2c1cccc2	C271896
PUBCHEM_164	O=C1CCCO1	C96480
PUBCHEM_164	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_164	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_164	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_164	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_164	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_164	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_164	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_164	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_164	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_164	O=Cc1ccco1	C98011
PUBCHEM_164	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_164	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_164	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_164	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_164	O=C1N(CCC1)C	C872504
PUBCHEM_164	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_164	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_164	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_164	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_164	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_164	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_164	O=S1(=O)CCCO1	C1120714
PUBCHEM_164	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_164	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_164	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_164	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_164	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_164	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_164	O=C1N(C=C)CCC1	C88120
PUBCHEM_164	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_164	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_164	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_164	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_164	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_164	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_164	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_164	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_164	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_164	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_164	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_164	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_164	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_164	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_164	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_164	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_164	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_164	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_164	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_164	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_164	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_164	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_164	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_164	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_164	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_164	[nH]1ncnc1	C288880
PUBCHEM_164	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_164	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_164	CCC12N(COC1)COC2	C7747355
PUBCHEM_164	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_164	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_164	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_164	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_164	Nn1cnnc1	C584134
PUBCHEM_164	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_164	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_164	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_164	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_164	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_164	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_164	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_164	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_164	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_164	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_164	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_164	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_164	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_164	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_164	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_164	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_164	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_164	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_164	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_164	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_164	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_164	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_164	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_164	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_164	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_164	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_164	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_164	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_164	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_164	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_164	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_164	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_164	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_164	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_164	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_164	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_164	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_164	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_164	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_164	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_164	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_164	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_164	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_164	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_164	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_164	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_164	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_164	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_164	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_164	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_164	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_164	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_164	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_164	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_164	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_164	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_164	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_164	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_164	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_164	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_164	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_164	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_164	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_164	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_164	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_164	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_164	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_164	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_164	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_164	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_164	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_164	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_164	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_164	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_164	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_164	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_164	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_164	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_164	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_164	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_164	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_164	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_164	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_164	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_164	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_164	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_164	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_164	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_164	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_164	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_164	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_164	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_164	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_164	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_164	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_164	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_164	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_164	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_164	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_164	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_164	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_164	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_164	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_164	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_164	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_164	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_164	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_164	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_164	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_164	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_164	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_164	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_164	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_164	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_164	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_164	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_164	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_164	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_164	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_164	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_164	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_164	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_164	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_164	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_164	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_164	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_164	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_164	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_164	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_164	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_164	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_164	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_164	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_164	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_164	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_164	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_164	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_164	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_164	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_164	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_164	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_164	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_164	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_164	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_164	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_164	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_164	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_164	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_164	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_164	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_164	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_164	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_164	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_164	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_164	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_164	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_164	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_164	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_164	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_164	SC1CCCC1	C1679078
PUBCHEM_164	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_164	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_164	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_164	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_164	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_164	CCCCCc1ccco1	C3777693
PUBCHEM_165	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_165	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_165	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_165	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_165	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_165	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_165	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_165	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_165	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_165	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_165	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_165	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_165	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_165	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_165	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_165	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_165	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_165	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_165	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_165	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_165	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_165	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_165	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_165	O=C1CCCC1	C120923
PUBCHEM_165	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_165	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_165	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_165	OC1CCCC1	C96413
PUBCHEM_165	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_165	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_165	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_165	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_165	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_165	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_165	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_165	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_165	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_165	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_165	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_165	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_165	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_165	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_165	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_165	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_165	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_165	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_165	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_165	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_165	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_165	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_165	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_165	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_165	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_165	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_165	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_165	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_165	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_165	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_165	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_165	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_165	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_165	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_165	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_165	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_165	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_165	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_165	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_165	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_165	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_165	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_165	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_165	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_165	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_165	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_165	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_165	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_165	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_165	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_165	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_165	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_165	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_165	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_165	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_165	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_165	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_165	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_165	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_165	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_165	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_165	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_165	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_165	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_165	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_165	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_165	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_165	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_165	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_165	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_165	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_165	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_165	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_165	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_165	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_165	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_165	SC1CCCC1	C1679078
PUBCHEM_165	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_165	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_166	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_166	c1(nc[nH]n1)N	C61825
PUBCHEM_166	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_166	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_166	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_166	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_166	c1cccc2[nH]ccc12	C120729
PUBCHEM_166	O=NN1CCCC1	C930552
PUBCHEM_166	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_166	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_166	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_166	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_166	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_166	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_166	c1ccc2ncsc2c1	C95169
PUBCHEM_166	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_166	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_166	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_166	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_166	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_166	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_166	O=C1NCCC1	C616455
PUBCHEM_166	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_166	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_166	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_166	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_166	n1c[nH]cc1	C288324
PUBCHEM_166	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_166	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_166	OCn1nc(C)cc1C	C85264331
PUBCHEM_166	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_166	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_166	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_166	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_166	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_166	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_166	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_166	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_166	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_166	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_166	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_166	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_166	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_166	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_166	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_166	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_166	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_166	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_166	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_166	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_166	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_166	S=C1NCCN1	C96457
PUBCHEM_166	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_166	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_166	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_166	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_166	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_166	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_166	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_166	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_166	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_166	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_166	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_166	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_166	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_166	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_166	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_166	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_166	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_166	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_166	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_166	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_166	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_166	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_166	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_166	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_166	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_166	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_166	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_166	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_166	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_166	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_166	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_166	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_166	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_166	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_166	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_166	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_166	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_166	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_166	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_166	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_166	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_166	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_166	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_166	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_166	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_166	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_166	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_166	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_166	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_166	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_166	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_166	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_166	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_166	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_166	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_166	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_166	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_166	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_166	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_166	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_166	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_166	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_166	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_166	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_166	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_166	O=C1N(CCC1)C	C872504
PUBCHEM_166	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_166	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_166	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_166	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_166	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_166	O=C1N(C=C)CCC1	C88120
PUBCHEM_166	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_166	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_166	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_166	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_166	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_166	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_166	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_166	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_166	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_166	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_166	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_166	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_166	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_166	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_166	[nH]1ncnc1	C288880
PUBCHEM_166	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_166	CCC12N(COC1)COC2	C7747355
PUBCHEM_166	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_166	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_166	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_166	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_166	Nn1cnnc1	C584134
PUBCHEM_166	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_166	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_166	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_166	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_166	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_166	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_166	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_166	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_166	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_166	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_166	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_166	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_166	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_166	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_166	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_166	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_166	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_166	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_166	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_166	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_166	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_166	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_166	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_166	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_166	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_166	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_166	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_166	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_166	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_166	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_166	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_166	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_166	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_166	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_166	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_166	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_166	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_166	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_166	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_166	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_166	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_166	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_166	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_166	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_166	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_166	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_166	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_166	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_166	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_166	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_166	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_166	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_166	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_166	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_166	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_166	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_166	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_166	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_166	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_166	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_166	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_166	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_166	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_166	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_166	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_166	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_166	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_166	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_166	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_166	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_166	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_166	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_166	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_166	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_166	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_166	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_166	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_166	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_166	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_166	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_166	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_166	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_166	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_166	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_166	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_166	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_166	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_166	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_166	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_166	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_166	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_166	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_167	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_167	c1(nc[nH]n1)N	C61825
PUBCHEM_167	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_167	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_167	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_167	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_167	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_167	c1cccc2[nH]ccc12	C120729
PUBCHEM_167	O=NN1CCCC1	C930552
PUBCHEM_167	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_167	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_167	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_167	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_167	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_167	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_167	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_167	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_167	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_167	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_167	c1ccc2ncsc2c1	C95169
PUBCHEM_167	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_167	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_167	c1c(CO)occ1	C98000
PUBCHEM_167	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_167	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_167	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_167	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_167	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_167	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_167	O=C1OCC(C)O1	C108327
PUBCHEM_167	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_167	O=C1NCCC1	C616455
PUBCHEM_167	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_167	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_167	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_167	OCC1OCCC1	C97994
PUBCHEM_167	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_167	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_167	n1c[nH]cc1	C288324
PUBCHEM_167	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_167	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_167	OCn1nc(C)cc1C	C85264331
PUBCHEM_167	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_167	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_167	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_167	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_167	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_167	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_167	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_167	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_167	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_167	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_167	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_167	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_167	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_167	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_167	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_167	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_167	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_167	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_167	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_167	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_167	O=C1OCC(CC)O1	C4437858
PUBCHEM_167	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_167	O=C1CCC(O1)CC	C695067
PUBCHEM_167	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_167	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_167	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_167	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_167	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_167	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_167	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_167	O=C1OC(CCC)CC1	C105215
PUBCHEM_167	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_167	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_167	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_167	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_167	S=C1NCCN1	C96457
PUBCHEM_167	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_167	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_167	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_167	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_167	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_167	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_167	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_167	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_167	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_167	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_167	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_167	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_167	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_167	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_167	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_167	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_167	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_167	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_167	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_167	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_167	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_167	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_167	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_167	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_167	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_167	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_167	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_167	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_167	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_167	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_167	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_167	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_167	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_167	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_167	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_167	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_167	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_167	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_167	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_167	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_167	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_167	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_167	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_167	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_167	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_167	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_167	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_167	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_167	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_167	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_167	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_167	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_167	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_167	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_167	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_167	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_167	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_167	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_167	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_167	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_167	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_167	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_167	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_167	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_167	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_167	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_167	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_167	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_167	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_167	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_167	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_167	c1coc2c1cccc2	C271896
PUBCHEM_167	O=C1CCCO1	C96480
PUBCHEM_167	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_167	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_167	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_167	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_167	O=Cc1ccco1	C98011
PUBCHEM_167	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_167	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_167	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_167	O=C1N(CCC1)C	C872504
PUBCHEM_167	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_167	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_167	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_167	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_167	O=S1(=O)CCCO1	C1120714
PUBCHEM_167	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_167	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_167	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_167	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_167	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_167	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_167	O=C1N(C=C)CCC1	C88120
PUBCHEM_167	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_167	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_167	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_167	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_167	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_167	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_167	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_167	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_167	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_167	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_167	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_167	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_167	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_167	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_167	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_167	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_167	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_167	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_167	[nH]1ncnc1	C288880
PUBCHEM_167	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_167	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_167	CCC12N(COC1)COC2	C7747355
PUBCHEM_167	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_167	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_167	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_167	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_167	Nn1cnnc1	C584134
PUBCHEM_167	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_167	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_167	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_167	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_167	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_167	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_167	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_167	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_167	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_167	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_167	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_167	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_167	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_167	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_167	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_167	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_167	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_167	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_167	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_167	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_167	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_167	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_167	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_167	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_167	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_167	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_167	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_167	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_167	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_167	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_167	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_167	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_167	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_167	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_167	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_167	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_167	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_167	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_167	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_167	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_167	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_167	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_167	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_167	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_167	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_167	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_167	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_167	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_167	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_167	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_167	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_167	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_167	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_167	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_167	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_167	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_167	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_167	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_167	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_167	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_167	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_167	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_167	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_167	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_167	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_167	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_167	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_167	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_167	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_167	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_167	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_167	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_167	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_167	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_167	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_167	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_167	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_167	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_167	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_167	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_167	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_167	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_167	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_167	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_167	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_167	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_167	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_167	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_167	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_167	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_167	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_167	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_167	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_167	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_167	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_167	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_167	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_167	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_167	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_167	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_167	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_167	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_167	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_167	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_167	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_167	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_167	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_167	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_167	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_167	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_167	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_167	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_167	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_167	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_167	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_167	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_167	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_167	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_167	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_167	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_167	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_167	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_167	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_167	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_167	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_167	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_167	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_167	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_167	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_167	CCCCCc1ccco1	C3777693
PUBCHEM_171	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_171	c1(nc[nH]n1)N	C61825
PUBCHEM_171	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_171	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_171	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_171	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_171	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_171	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_171	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_171	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_171	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_171	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_171	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_171	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_171	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_171	c1cccc2[nH]ccc12	C120729
PUBCHEM_171	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_171	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_171	O=NN1CCCC1	C930552
PUBCHEM_171	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_171	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_171	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_171	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_171	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_171	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_171	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_171	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_171	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_171	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_171	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_171	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_171	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_171	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_171	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_171	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_171	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_171	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_171	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_171	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_171	c1ccc2ncsc2c1	C95169
PUBCHEM_171	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_171	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_171	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_171	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_171	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_171	c1c(CO)occ1	C98000
PUBCHEM_171	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_171	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_171	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_171	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_171	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_171	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_171	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_171	O=C1OCC(C)O1	C108327
PUBCHEM_171	C1=CC=CC1	C542927
PUBCHEM_171	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_171	O=C1NCCC1	C616455
PUBCHEM_171	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_171	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_171	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_171	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_171	OCC1OCCC1	C97994
PUBCHEM_171	O=C1CCCC1	C120923
PUBCHEM_171	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_171	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_171	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_171	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_171	n1c[nH]cc1	C288324
PUBCHEM_171	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_171	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_171	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_171	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_171	OCn1nc(C)cc1C	C85264331
PUBCHEM_171	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_171	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_171	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_171	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_171	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_171	OC1CCCC1	C96413
PUBCHEM_171	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_171	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_171	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_171	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_171	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_171	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_171	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_171	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_171	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_171	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_171	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_171	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_171	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_171	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_171	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_171	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_171	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_171	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_171	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_171	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_171	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_171	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_171	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_171	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_171	O=C1OCC(CC)O1	C4437858
PUBCHEM_171	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_171	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_171	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_171	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_171	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_171	O=C1CCC(O1)CC	C695067
PUBCHEM_171	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_171	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_171	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_171	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_171	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_171	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_171	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_171	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_171	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_171	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_171	c12ccccc1CC=C2	C95136
PUBCHEM_171	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_171	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_171	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_171	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_171	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_171	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_171	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_171	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_171	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_171	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_171	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_171	O=C1OC(CCC)CC1	C105215
PUBCHEM_171	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_171	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_171	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_171	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_171	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_171	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_171	S=C1NCCN1	C96457
PUBCHEM_171	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_171	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_171	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_171	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_171	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_171	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_171	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_171	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_171	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_171	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_171	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_171	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_171	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_171	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_171	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_171	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_171	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_171	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_171	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_171	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_171	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_171	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_171	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_171	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_171	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_171	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_171	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_171	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_171	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_171	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_171	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_171	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_171	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_171	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_171	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_171	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_171	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_171	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_171	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_171	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_171	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_171	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_171	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_171	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_171	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_171	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_171	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_171	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_171	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_171	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_171	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_171	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_171	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_171	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_171	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_171	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_171	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_171	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_171	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_171	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_171	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_171	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_171	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_171	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_171	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_171	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_171	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_171	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_171	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_171	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_171	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_171	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_171	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_171	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_171	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_171	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_171	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_171	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_171	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_171	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_171	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_171	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_171	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_171	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_171	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_171	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_171	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_171	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_171	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_171	c1coc2c1cccc2	C271896
PUBCHEM_171	O=C1CCCO1	C96480
PUBCHEM_171	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_171	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_171	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_171	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_171	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_171	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_171	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_171	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_171	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_171	O=Cc1ccco1	C98011
PUBCHEM_171	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_171	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_171	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_171	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_171	O=C1N(CCC1)C	C872504
PUBCHEM_171	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_171	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_171	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_171	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_171	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_171	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_171	O=S1(=O)CCCO1	C1120714
PUBCHEM_171	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_171	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_171	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_171	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_171	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_171	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_171	O=C1N(C=C)CCC1	C88120
PUBCHEM_171	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_171	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_171	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_171	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_171	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_171	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_171	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_171	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_171	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_171	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_171	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_171	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_171	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_171	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_171	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_171	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_171	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_171	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_171	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_171	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_171	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_171	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_171	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_171	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_171	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_171	[nH]1ncnc1	C288880
PUBCHEM_171	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_171	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_171	CCC12N(COC1)COC2	C7747355
PUBCHEM_171	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_171	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_171	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_171	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_171	Nn1cnnc1	C584134
PUBCHEM_171	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_171	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_171	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_171	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_171	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_171	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_171	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_171	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_171	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_171	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_171	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_171	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_171	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_171	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_171	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_171	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_171	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_171	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_171	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_171	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_171	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_171	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_171	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_171	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_171	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_171	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_171	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_171	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_171	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_171	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_171	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_171	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_171	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_171	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_171	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_171	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_171	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_171	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_171	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_171	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_171	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_171	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_171	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_171	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_171	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_171	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_171	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_171	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_171	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_171	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_171	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_171	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_171	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_171	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_171	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_171	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_171	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_171	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_171	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_171	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_171	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_171	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_171	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_171	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_171	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_171	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_171	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_171	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_171	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_171	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_171	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_171	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_171	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_171	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_171	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_171	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_171	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_171	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_171	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_171	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_171	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_171	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_171	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_171	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_171	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_171	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_171	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_171	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_171	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_171	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_171	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_171	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_171	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_171	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_171	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_171	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_171	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_171	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_171	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_171	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_171	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_171	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_171	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_171	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_171	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_171	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_171	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_171	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_171	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_171	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_171	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_171	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_171	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_171	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_171	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_171	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_171	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_171	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_171	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_171	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_171	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_171	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_171	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_171	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_171	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_171	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_171	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_171	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_171	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_171	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_171	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_171	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_171	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_171	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_171	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_171	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_171	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_171	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_171	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_171	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_171	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_171	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_171	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_171	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_171	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_171	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_171	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_171	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_171	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_171	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_171	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_171	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_171	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_171	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_171	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_171	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_171	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_171	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_171	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_171	SC1CCCC1	C1679078
PUBCHEM_171	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_171	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_171	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_171	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_171	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_171	CCCCCc1ccco1	C3777693
PUBCHEM_172	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_172	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_172	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_172	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_172	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_172	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_172	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_172	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_172	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_172	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_172	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_172	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_172	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_172	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_172	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_172	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_172	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_172	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_172	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_172	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_172	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_172	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_172	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_172	O=C1CCCC1	C120923
PUBCHEM_172	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_172	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_172	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_172	OC1CCCC1	C96413
PUBCHEM_172	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_172	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_172	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_172	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_172	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_172	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_172	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_172	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_172	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_172	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_172	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_172	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_172	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_172	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_172	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_172	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_172	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_172	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_172	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_172	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_172	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_172	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_172	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_172	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_172	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_172	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_172	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_172	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_172	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_172	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_172	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_172	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_172	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_172	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_172	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_172	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_172	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_172	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_172	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_172	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_172	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_172	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_172	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_172	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_172	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_172	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_172	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_172	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_172	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_172	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_172	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_172	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_172	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_172	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_172	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_172	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_172	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_172	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_172	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_172	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_172	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_172	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_172	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_172	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_172	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_172	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_172	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_172	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_172	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_172	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_172	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_172	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_172	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_172	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_172	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_172	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_172	SC1CCCC1	C1679078
PUBCHEM_172	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_172	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_173	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_173	c1(nc[nH]n1)N	C61825
PUBCHEM_173	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_173	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_173	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_173	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_173	c1cccc2[nH]ccc12	C120729
PUBCHEM_173	O=NN1CCCC1	C930552
PUBCHEM_173	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_173	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_173	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_173	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_173	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_173	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_173	c1ccc2ncsc2c1	C95169
PUBCHEM_173	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_173	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_173	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_173	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_173	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_173	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_173	O=C1NCCC1	C616455
PUBCHEM_173	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_173	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_173	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_173	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_173	n1c[nH]cc1	C288324
PUBCHEM_173	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_173	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_173	OCn1nc(C)cc1C	C85264331
PUBCHEM_173	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_173	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_173	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_173	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_173	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_173	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_173	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_173	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_173	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_173	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_173	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_173	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_173	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_173	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_173	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_173	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_173	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_173	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_173	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_173	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_173	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_173	S=C1NCCN1	C96457
PUBCHEM_173	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_173	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_173	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_173	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_173	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_173	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_173	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_173	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_173	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_173	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_173	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_173	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_173	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_173	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_173	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_173	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_173	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_173	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_173	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_173	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_173	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_173	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_173	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_173	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_173	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_173	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_173	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_173	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_173	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_173	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_173	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_173	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_173	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_173	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_173	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_173	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_173	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_173	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_173	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_173	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_173	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_173	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_173	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_173	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_173	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_173	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_173	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_173	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_173	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_173	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_173	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_173	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_173	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_173	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_173	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_173	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_173	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_173	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_173	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_173	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_173	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_173	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_173	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_173	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_173	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_173	O=C1N(CCC1)C	C872504
PUBCHEM_173	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_173	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_173	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_173	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_173	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_173	O=C1N(C=C)CCC1	C88120
PUBCHEM_173	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_173	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_173	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_173	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_173	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_173	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_173	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_173	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_173	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_173	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_173	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_173	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_173	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_173	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_173	[nH]1ncnc1	C288880
PUBCHEM_173	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_173	CCC12N(COC1)COC2	C7747355
PUBCHEM_173	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_173	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_173	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_173	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_173	Nn1cnnc1	C584134
PUBCHEM_173	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_173	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_173	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_173	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_173	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_173	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_173	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_173	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_173	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_173	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_173	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_173	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_173	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_173	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_173	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_173	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_173	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_173	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_173	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_173	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_173	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_173	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_173	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_173	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_173	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_173	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_173	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_173	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_173	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_173	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_173	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_173	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_173	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_173	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_173	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_173	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_173	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_173	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_173	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_173	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_173	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_173	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_173	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_173	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_173	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_173	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_173	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_173	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_173	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_173	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_173	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_173	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_173	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_173	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_173	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_173	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_173	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_173	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_173	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_173	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_173	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_173	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_173	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_173	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_173	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_173	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_173	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_173	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_173	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_173	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_173	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_173	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_173	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_173	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_173	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_173	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_173	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_173	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_173	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_173	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_173	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_173	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_173	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_173	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_173	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_173	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_173	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_173	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_173	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_173	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_173	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_173	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_174	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_174	c1(nc[nH]n1)N	C61825
PUBCHEM_174	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_174	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_174	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_174	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_174	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_174	c1cccc2[nH]ccc12	C120729
PUBCHEM_174	O=NN1CCCC1	C930552
PUBCHEM_174	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_174	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_174	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_174	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_174	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_174	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_174	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_174	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_174	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_174	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_174	c1ccc2ncsc2c1	C95169
PUBCHEM_174	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_174	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_174	c1c(CO)occ1	C98000
PUBCHEM_174	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_174	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_174	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_174	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_174	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_174	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_174	O=C1OCC(C)O1	C108327
PUBCHEM_174	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_174	O=C1NCCC1	C616455
PUBCHEM_174	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_174	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_174	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_174	OCC1OCCC1	C97994
PUBCHEM_174	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_174	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_174	n1c[nH]cc1	C288324
PUBCHEM_174	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_174	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_174	OCn1nc(C)cc1C	C85264331
PUBCHEM_174	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_174	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_174	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_174	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_174	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_174	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_174	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_174	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_174	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_174	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_174	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_174	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_174	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_174	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_174	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_174	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_174	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_174	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_174	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_174	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_174	O=C1OCC(CC)O1	C4437858
PUBCHEM_174	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_174	O=C1CCC(O1)CC	C695067
PUBCHEM_174	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_174	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_174	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_174	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_174	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_174	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_174	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_174	O=C1OC(CCC)CC1	C105215
PUBCHEM_174	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_174	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_174	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_174	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_174	S=C1NCCN1	C96457
PUBCHEM_174	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_174	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_174	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_174	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_174	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_174	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_174	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_174	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_174	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_174	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_174	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_174	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_174	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_174	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_174	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_174	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_174	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_174	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_174	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_174	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_174	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_174	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_174	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_174	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_174	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_174	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_174	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_174	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_174	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_174	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_174	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_174	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_174	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_174	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_174	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_174	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_174	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_174	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_174	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_174	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_174	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_174	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_174	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_174	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_174	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_174	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_174	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_174	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_174	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_174	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_174	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_174	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_174	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_174	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_174	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_174	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_174	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_174	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_174	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_174	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_174	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_174	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_174	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_174	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_174	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_174	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_174	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_174	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_174	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_174	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_174	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_174	c1coc2c1cccc2	C271896
PUBCHEM_174	O=C1CCCO1	C96480
PUBCHEM_174	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_174	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_174	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_174	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_174	O=Cc1ccco1	C98011
PUBCHEM_174	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_174	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_174	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_174	O=C1N(CCC1)C	C872504
PUBCHEM_174	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_174	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_174	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_174	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_174	O=S1(=O)CCCO1	C1120714
PUBCHEM_174	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_174	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_174	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_174	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_174	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_174	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_174	O=C1N(C=C)CCC1	C88120
PUBCHEM_174	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_174	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_174	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_174	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_174	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_174	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_174	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_174	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_174	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_174	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_174	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_174	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_174	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_174	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_174	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_174	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_174	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_174	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_174	[nH]1ncnc1	C288880
PUBCHEM_174	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_174	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_174	CCC12N(COC1)COC2	C7747355
PUBCHEM_174	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_174	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_174	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_174	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_174	Nn1cnnc1	C584134
PUBCHEM_174	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_174	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_174	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_174	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_174	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_174	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_174	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_174	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_174	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_174	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_174	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_174	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_174	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_174	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_174	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_174	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_174	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_174	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_174	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_174	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_174	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_174	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_174	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_174	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_174	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_174	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_174	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_174	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_174	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_174	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_174	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_174	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_174	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_174	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_174	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_174	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_174	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_174	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_174	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_174	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_174	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_174	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_174	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_174	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_174	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_174	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_174	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_174	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_174	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_174	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_174	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_174	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_174	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_174	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_174	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_174	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_174	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_174	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_174	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_174	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_174	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_174	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_174	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_174	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_174	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_174	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_174	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_174	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_174	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_174	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_174	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_174	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_174	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_174	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_174	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_174	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_174	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_174	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_174	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_174	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_174	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_174	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_174	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_174	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_174	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_174	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_174	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_174	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_174	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_174	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_174	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_174	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_174	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_174	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_174	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_174	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_174	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_174	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_174	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_174	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_174	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_174	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_174	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_174	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_174	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_174	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_174	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_174	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_174	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_174	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_174	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_174	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_174	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_174	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_174	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_174	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_174	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_174	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_174	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_174	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_174	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_174	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_174	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_174	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_174	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_174	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_174	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_174	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_174	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_174	CCCCCc1ccco1	C3777693
PUBCHEM_178	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_178	Nc1ccccc1.Cl	C142041
PUBCHEM_178	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_178	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_178	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_178	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_178	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_178	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_178	CC(=O)OCc1ccccc1	C140114
PUBCHEM_178	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_178	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_178	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_178	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_178	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_178	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_178	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_178	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_178	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_178	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_178	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_178	O=C1CCCCC1	C108941
PUBCHEM_178	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_178	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_178	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_178	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_178	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_178	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_178	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_178	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_178	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_178	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_178	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_178	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_178	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_178	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_178	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_178	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_178	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_178	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_178	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_178	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_178	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_178	c1cccc2[nH]ccc12	C120729
PUBCHEM_178	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_178	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_178	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_178	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_178	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_178	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_178	COc1ccc(cc1)O	C150765
PUBCHEM_178	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_178	C=Cc1ccc(cc1)C	C622979
PUBCHEM_178	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_178	NC(=O)c1cccnc1	C98920
PUBCHEM_178	OC(=O)c1cccnc1	C59676
PUBCHEM_178	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_178	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_178	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_178	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_178	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_178	Nc1ccc(cc1)N	C106503
PUBCHEM_178	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_178	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_178	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_178	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_178	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_178	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_178	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_178	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_178	Nc1ccccc1C.Cl	C636215
PUBCHEM_178	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_178	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_178	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_178	O=CCc1ccccc1	C122781
PUBCHEM_178	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_178	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_178	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_178	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_178	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_178	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_178	O=Cc1ccccc1O	C90028
PUBCHEM_178	Oc1cccc2ccccc12	C90153
PUBCHEM_178	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_178	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_178	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_178	ON=C1CCCCC1	C100641
PUBCHEM_178	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_178	OCCN1CCNCC1	C103764
PUBCHEM_178	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_178	Oc1ccc(Cl)cc1	C106489
PUBCHEM_178	C1CCCCC1O	C108930
PUBCHEM_178	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_178	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_178	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_178	Oc1ccc(CC)cc1	C123079
PUBCHEM_178	NCCN1CCNCC1	C140318
PUBCHEM_178	COc1ccc(OC)cc1	C150787
PUBCHEM_178	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_178	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_178	Oc1ccc(CCC)cc1	C645567
PUBCHEM_178	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_178	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_178	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_178	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_178	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_178	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_178	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_178	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_178	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_178	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_178	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_178	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_178	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_178	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_178	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_178	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_178	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_178	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_178	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_178	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_178	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_178	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_178	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_178	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_178	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_178	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_178	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_178	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_178	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_178	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_178	c1(c(CC)cccc1)O	C90006
PUBCHEM_178	c1c(O)cccc1CC	C620177
PUBCHEM_178	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_178	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_178	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_178	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_178	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_178	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_178	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_178	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_178	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_178	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_178	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_178	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_178	c1cccc(OC)c1O	C90051
PUBCHEM_178	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_178	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_178	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_178	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_178	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_178	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_178	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_178	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_178	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_178	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_178	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_178	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_178	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_178	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_178	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_178	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_178	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_178	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_178	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_178	Cc1cc(O)ccc1	C108394
PUBCHEM_178	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_178	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_178	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_178	c1ccc2ncsc2c1	C95169
PUBCHEM_178	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_178	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_178	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_178	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_178	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_178	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_178	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_178	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_178	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_178	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_178	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_178	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_178	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_178	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_178	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_178	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_178	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_178	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_178	Cc1c(C)cccc1O	C526750
PUBCHEM_178	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_178	C=Cc1ccccc1C=C	C1321740
PUBCHEM_178	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_178	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_178	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_178	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_178	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_178	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_178	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_178	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_178	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_178	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_178	C1COCCN1	C110918
PUBCHEM_178	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_178	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_178	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_178	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_178	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_178	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_178	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_178	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_178	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_178	c12ccccc1CCCC2	C119642
PUBCHEM_178	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_178	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_178	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_178	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_178	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_178	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_178	Cc1cccc(C)c1	C108383
PUBCHEM_178	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_178	OCCc1ccccc1	C60128
PUBCHEM_178	O=C(O)c1ccccc1O	C69727
PUBCHEM_178	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_178	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_178	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_178	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_178	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_178	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_178	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_178	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_178	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_178	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_178	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_178	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_178	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_178	Sc1ccccc1	C108985
PUBCHEM_178	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_178	Oc1ccc2ccccc2c1	C135193
PUBCHEM_178	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_178	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_178	Brc1ccc(F)cc1	C460004
PUBCHEM_178	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_178	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_178	ClP(c1ccccc1)Cl	C644973
PUBCHEM_178	OC(C)COc1ccccc1	C770354
PUBCHEM_178	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_178	Nc1cccc(C)c1C	C1300738
PUBCHEM_178	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_178	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_178	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_178	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_178	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_178	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_178	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_178	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_178	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_178	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_178	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_178	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_178	Nc1c(C)cccc1CC	C24549062
PUBCHEM_178	Clc1cccc(C)c1	C25168052
PUBCHEM_178	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_178	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_178	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_178	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_178	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_178	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_178	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_178	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_178	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_178	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_178	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_178	CN1CCOCC1	C109024
PUBCHEM_178	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_178	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_178	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_178	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_178	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_178	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_178	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_178	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_178	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_178	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_178	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_178	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_178	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_178	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_178	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_178	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_178	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_178	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_178	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_178	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_178	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_178	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_178	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_178	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_178	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_178	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_178	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_178	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_178	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_178	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_178	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_178	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_178	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_178	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_178	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_178	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_178	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_178	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_178	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_178	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_178	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_178	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_178	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_178	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_178	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_178	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_178	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_178	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_178	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_178	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_178	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_178	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_178	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_178	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_178	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_178	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_178	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_178	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_178	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_178	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_178	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_178	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_178	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_178	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_178	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_178	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_178	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_178	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_178	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_178	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_178	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_178	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_178	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_178	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_178	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_178	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_178	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_178	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_178	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_178	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_178	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_178	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_178	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_178	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_178	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_178	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_178	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_178	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_178	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_178	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_178	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_178	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_178	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_178	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_178	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_178	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_178	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_178	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_178	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_178	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_178	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_178	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_178	O=C(c1ccccc1O)C	C118934
PUBCHEM_178	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_178	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_178	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_178	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_178	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_178	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_178	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_178	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_178	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_178	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_178	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_178	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_178	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_178	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_178	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_178	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_178	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_178	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_178	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_178	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_178	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_178	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_178	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_178	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_178	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_178	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_178	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_178	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_178	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_178	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_178	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_178	Oc1ccccc1CN(C)C	C120650
PUBCHEM_178	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_178	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_178	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_178	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_178	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_178	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_178	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_178	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_178	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_178	O1C=CCCC1	C110872
PUBCHEM_178	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_178	OCC=Cc1ccccc1	C104541
PUBCHEM_178	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_178	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_178	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_178	NCCCN1CCOCC1	C123002
PUBCHEM_178	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_178	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_178	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_178	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_178	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_178	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_178	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_178	N#Cc1c(O)cccc1	C611201
PUBCHEM_178	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_178	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_178	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_178	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_178	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_178	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_178	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_178	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_178	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_178	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_178	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_178	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_178	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_178	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_178	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_178	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_178	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_178	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_178	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_178	c12ccccc1CC=C2	C95136
PUBCHEM_178	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_178	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_178	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_178	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_178	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_178	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_178	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_178	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_178	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_178	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_178	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_178	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_178	Oc1c(OCC)cccc1	C94713
PUBCHEM_178	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_178	COc1ccc(CCC)cc1	C104450
PUBCHEM_178	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_178	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_178	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_178	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_178	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_178	OC(CO)c1ccccc1	C93561
PUBCHEM_178	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_178	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_178	O=C(N)Nc1ccccc1	C64108
PUBCHEM_178	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_178	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_178	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_178	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_178	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_178	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_178	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_178	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_178	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_178	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_178	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_178	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_178	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_178	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_178	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_178	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_178	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_178	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_178	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_178	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_178	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_178	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_178	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_178	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_178	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_178	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_178	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_178	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_178	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_178	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_178	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_178	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_178	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_178	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_178	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_178	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_178	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_178	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_178	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_178	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_178	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_178	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_178	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_178	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_178	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_178	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_178	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_178	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_178	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_178	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_178	Sc1ccc(C)cc1	C106456
PUBCHEM_178	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_178	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_178	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_178	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_178	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_178	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_178	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_178	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_178	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_178	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_178	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_178	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_178	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_178	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_178	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_178	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_178	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_178	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_178	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_178	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_178	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_178	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_178	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_178	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_178	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_178	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_178	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_178	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_178	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_178	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_178	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_178	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_178	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_178	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_178	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_178	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_178	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_178	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_178	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_178	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_178	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_178	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_178	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_178	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_178	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_178	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_178	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_178	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_178	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_178	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_178	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_178	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_178	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_178	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_178	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_178	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_178	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_178	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_178	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_178	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_178	c1ccccc1OCCO	C122996
PUBCHEM_178	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_178	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_178	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_178	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_178	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_178	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_178	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_178	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_178	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_178	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_178	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_178	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_178	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_178	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_178	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_178	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_178	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_178	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_178	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_178	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_178	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_178	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_178	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_178	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_178	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_178	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_178	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_178	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_178	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_178	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_178	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_178	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_178	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_178	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_178	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_178	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_178	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_178	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_178	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_178	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_178	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_178	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_178	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_178	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_178	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_178	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_178	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_178	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_178	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_178	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_178	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_178	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_178	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_178	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_178	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_178	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_178	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_178	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_178	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_178	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_178	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_178	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_178	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_178	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_178	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_178	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_178	CN1CN(C)CSC1=S	C533744
PUBCHEM_178	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_178	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_178	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_178	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_178	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_178	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_178	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_178	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_178	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_178	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_178	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_178	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_178	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_178	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_178	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_178	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_178	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_178	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_178	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_178	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_178	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_178	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_178	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_178	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_178	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_178	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_178	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_178	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_178	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_178	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_178	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_178	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_178	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_178	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_178	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_178	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_178	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_178	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_178	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_178	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_178	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_178	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_178	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_178	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_178	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_178	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_178	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_178	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_178	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_178	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_178	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_178	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_178	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_178	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_178	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_178	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_178	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_178	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_178	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_178	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_178	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_178	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_178	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_178	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_178	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_178	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_178	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_178	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_178	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_178	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_178	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_178	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_178	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_178	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_178	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_178	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_178	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_178	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_178	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_178	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_178	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_178	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_178	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_178	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_178	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_178	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_178	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_178	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_178	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_178	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_178	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_178	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_178	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_178	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_178	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_178	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_178	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_178	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_178	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_178	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_178	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_178	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_178	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_178	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_178	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_178	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_178	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_178	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_178	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_178	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_178	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_178	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_178	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_178	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_178	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_178	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_178	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_178	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_178	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_178	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_178	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_178	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_178	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_178	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_178	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_178	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_178	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_178	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_178	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_178	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_178	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_178	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_178	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_178	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_178	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_178	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_178	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_178	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_178	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_178	c1coc2c1cccc2	C271896
PUBCHEM_178	OC(=O)c1ccccc1	C65850
PUBCHEM_178	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_178	OCc1ccccc1	C100516
PUBCHEM_178	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_178	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_178	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_178	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_178	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_178	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_178	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_178	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_178	Oc1c(cccc1)O	C120809
PUBCHEM_178	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_178	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_178	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_178	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_178	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_178	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_178	O=C(c1ccccc1)CCl	C532274
PUBCHEM_178	Nc1ccc(cc1)Cl	C106478
PUBCHEM_178	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_178	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_178	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_178	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_178	Nc1cc(ccc1OC)C	C120718
PUBCHEM_178	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_178	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_178	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_178	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_178	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_178	Clc1c(cccc1)Cl	C95501
PUBCHEM_178	Clc1ccc(cc1)Cl	C106467
PUBCHEM_178	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_178	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_178	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_178	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_178	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_178	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_178	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_178	CN(c1ccccc1)C	C121697
PUBCHEM_178	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_178	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_178	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_178	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_178	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_178	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_178	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_178	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_178	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_178	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_178	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_178	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_178	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_178	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_178	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_178	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_178	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_178	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_178	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_178	Oc1ccc(cc1)O	C123319
PUBCHEM_178	Oc1cccc2cccnc12	C148243
PUBCHEM_178	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_178	O=C(c1ccncc1)NN	C54853
PUBCHEM_178	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_178	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_178	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_178	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_178	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_178	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_178	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_178	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_178	Cc1cc2cccnc2cc1	C91623
PUBCHEM_178	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_178	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_178	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_178	c1c2c(ccc1)cccc2	C91203
PUBCHEM_178	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_178	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_178	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_178	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_178	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_178	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_178	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_178	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_178	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_178	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_178	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_178	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_178	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_178	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_178	Oc1ccccc1	C108952
PUBCHEM_178	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_178	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_178	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_178	Nc1cc(ccc1)N	C108452
PUBCHEM_178	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_178	C1CNCCN1	C110850
PUBCHEM_178	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_178	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_178	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_178	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_178	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_178	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_178	Oc1cc(ccc1)O	C108463
PUBCHEM_178	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_178	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_178	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_178	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_178	C1C(c2ccccc2)O1	C96093
PUBCHEM_178	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_178	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_178	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_178	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_178	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_178	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_178	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_178	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_178	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_178	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_178	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_178	Oc1ccccc1Cl	C95578
PUBCHEM_178	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_178	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_178	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_178	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_178	n1cccc2c1cccc2	C91225
PUBCHEM_178	CCN(CC)c1ccccc1	C91667
PUBCHEM_178	Oc1c(C)cccc1	C95487
PUBCHEM_178	c1ccccc1C(=O)C	C98862
PUBCHEM_178	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_178	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_178	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_178	CCNc1cc(C)ccc1	C102272
PUBCHEM_178	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_178	Oc1ccc(C)cc1	C106445
PUBCHEM_178	Nc1ccc(C)cc1	C106490
PUBCHEM_178	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_178	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_178	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_178	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_178	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_178	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_178	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_178	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_178	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_178	Clc1cc(Cl)ccc1	C541731
PUBCHEM_178	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_178	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_178	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_178	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_178	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_178	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_178	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_178	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_178	c1(CCCC)ccccc1	C104518
PUBCHEM_178	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_178	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_178	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_178	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_178	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_178	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_178	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_178	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_178	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_178	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_178	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_178	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_178	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_178	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_178	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_178	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_178	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_178	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_178	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_178	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_178	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_178	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_178	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_178	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_178	Nc1c(OC)cccc1	C90040
PUBCHEM_178	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_178	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_178	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_178	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_178	Cc1ccccc1Cl	C95498
PUBCHEM_178	NC1CCCCC1	C108918
PUBCHEM_178	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_178	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_178	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_178	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_178	Oc1c(cccc1C)C	C576261
PUBCHEM_178	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_178	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_178	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_178	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_178	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_178	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_178	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_178	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_178	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_178	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_178	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_178	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_178	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_178	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_178	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_178	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_178	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_178	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_178	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_178	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_178	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_178	Cc1ccc(Cl)cc1	C106434
PUBCHEM_178	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_178	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_178	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_178	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_178	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_178	Nc1cc(C)ccc1N	C496720
PUBCHEM_178	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_178	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_178	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_178	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_178	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_178	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_178	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_178	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_178	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_178	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_178	N(c1ccccc1)CC	C103695
PUBCHEM_178	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_178	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_178	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_178	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_178	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_178	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_178	Nc1c(N)cccc1	C95545
PUBCHEM_178	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_178	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_178	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_178	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_178	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_178	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_178	Nc1c(cccc1)C	C95534
PUBCHEM_178	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_178	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_178	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_178	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_178	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_178	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_178	Nc1c(cccc1C)C	C87627
PUBCHEM_178	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_178	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_178	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_178	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_178	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_178	N#Cc1cnccc1	C100549
PUBCHEM_178	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_178	Nc1cccc(C)c1	C108441
PUBCHEM_178	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_178	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_178	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_178	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_178	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_178	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_178	Nc1c(CC)cccc1CC	C579668
PUBCHEM_178	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_178	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_178	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_178	Nc1cccc(C)c1N	C2687254
PUBCHEM_178	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_178	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_178	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_178	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_178	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_178	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_178	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_178	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_178	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_178	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_178	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_178	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_178	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_178	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_178	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_178	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_178	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_178	O=Cc1ccccc1C=O	C643798
PUBCHEM_178	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_178	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_178	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_178	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_178	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_178	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_178	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_178	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_178	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_178	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_178	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_178	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_178	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_178	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_178	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_178	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_178	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_178	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_178	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_178	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_178	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_178	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_178	CCCc1ccccc1	C103651
PUBCHEM_178	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_178	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_178	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_178	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_178	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_178	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_178	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_178	CC(C)(C)c1ccccc1	C98066
PUBCHEM_178	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_178	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_178	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_178	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_178	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_178	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_178	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_178	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_178	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_178	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_178	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_178	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_178	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_178	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_178	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_178	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_178	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_178	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_178	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_178	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_178	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_178	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_178	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_178	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_178	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_178	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_178	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_178	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_178	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_178	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_178	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_178	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_178	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_178	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_178	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_178	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_178	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_178	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_178	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_178	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_178	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_178	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_178	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_178	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_178	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_178	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_178	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_178	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_178	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_178	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_178	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_178	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_178	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_178	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_178	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_178	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_178	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_178	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_178	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_178	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_178	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_178	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_178	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_178	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_178	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_178	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_178	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_178	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_178	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_178	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_178	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_178	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_178	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_178	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_178	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_178	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_178	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_178	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_178	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_178	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_178	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_178	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_178	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_178	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_178	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_178	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_178	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_178	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_178	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_178	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_178	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_178	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_178	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_178	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_178	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_178	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_178	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_178	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_178	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_178	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_178	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_178	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_178	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_178	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_178	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_178	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_178	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_178	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_178	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_178	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_178	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_178	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_178	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_178	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_178	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_178	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_178	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_178	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_178	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_178	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_178	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_178	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_178	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_178	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_178	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_178	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_178	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_178	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_178	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_178	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_178	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_178	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_178	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_178	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_178	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_178	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_178	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_178	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_178	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_178	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_178	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_178	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_178	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_178	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_178	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_178	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_178	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_178	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_178	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_178	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_178	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_178	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_178	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_178	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_178	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_178	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_178	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_178	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_178	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_178	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_178	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_178	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_178	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_178	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_178	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_178	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_178	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_178	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_178	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_178	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_178	O=C(OCC)c1ccccc1	C93890
PUBCHEM_178	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_178	NCc1cccc(CN)c1	C1477550
PUBCHEM_178	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_178	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_178	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_178	n1cc(C)ccc1	C108996
PUBCHEM_178	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_178	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_178	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_178	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_178	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_178	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_178	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_178	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_178	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_178	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_178	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_178	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_178	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_178	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_178	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_178	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_178	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_178	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_178	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_178	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_178	NNc1ccccc1.Cl	C59881
PUBCHEM_178	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_178	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_178	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_178	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_178	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_178	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_178	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_178	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_178	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_178	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_178	N#Cc1ccccc1	C100470
PUBCHEM_178	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_178	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_178	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_178	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_178	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_178	Nc1ccc(Br)cc1	C106401
PUBCHEM_178	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_178	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_178	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_178	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_178	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_178	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_178	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_178	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_178	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_178	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_178	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_178	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_178	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_178	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_178	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_178	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_178	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_178	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_178	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_178	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_178	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_178	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_178	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_178	Nc1ccc(OC)cc1	C104949
PUBCHEM_178	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_178	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_178	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_178	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_178	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_178	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_178	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_178	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_178	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_178	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_178	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_178	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_178	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_178	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_178	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_178	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_178	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_178	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_178	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_178	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_178	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_178	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_178	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_178	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_178	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_178	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_178	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_178	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_178	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_178	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_178	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_178	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_178	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_178	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_178	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_178	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_178	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_178	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_178	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_178	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_178	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_178	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_178	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_178	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_178	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_178	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_178	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_178	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_178	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_178	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_178	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_178	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_178	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_178	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_178	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_178	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_178	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_178	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_178	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_178	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_178	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_178	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_178	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_178	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_178	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_178	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_178	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_178	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_178	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_178	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_178	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_178	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_178	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_178	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_178	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_178	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_178	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_178	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_178	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_178	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_178	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_178	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_178	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_178	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_178	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_178	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_178	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_178	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_178	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_178	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_178	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_178	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_178	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_178	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_178	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_178	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_178	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_178	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_178	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_178	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_178	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_178	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_178	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_178	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_178	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_178	Cl[Hg]c1ccccc1	C100561
PUBCHEM_178	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_178	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_178	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_178	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_178	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_178	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_178	O=[As]c1ccccc1	C637036
PUBCHEM_178	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_178	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_178	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_178	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_178	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_178	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_178	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_178	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_178	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_178	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_178	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_178	O=CN1CCCCC1	C2591868
PUBCHEM_178	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_178	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_178	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_178	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_178	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_178	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_178	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_178	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_178	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_178	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_178	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_178	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_178	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_178	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_178	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_178	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_178	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_178	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_178	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_178	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_178	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_178	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_178	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_178	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_178	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_178	Nc1cccc(C)n1	C1824813
PUBCHEM_178	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_178	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_178	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_178	CC1COc2ccccc2N1	C32329207
PUBCHEM_178	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_178	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_178	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_178	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_178	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_178	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_178	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_178	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_178	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_178	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_178	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_178	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_178	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_178	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_178	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_178	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_178	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_178	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_178	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_178	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_178	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_178	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_178	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_178	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_178	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_178	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_178	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_178	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_178	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_178	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_178	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_178	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_178	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_178	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_178	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_178	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_179	Nc1ccccc1.Cl	C142041
PUBCHEM_179	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_179	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_179	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_179	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_179	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_179	CC(=O)OCc1ccccc1	C140114
PUBCHEM_179	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_179	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_179	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_179	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_179	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_179	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_179	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_179	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_179	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_179	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_179	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_179	O=C1CCCCC1	C108941
PUBCHEM_179	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_179	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_179	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_179	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_179	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_179	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_179	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_179	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_179	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_179	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_179	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_179	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_179	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_179	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_179	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_179	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_179	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_179	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_179	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_179	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_179	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_179	c1cccc2[nH]ccc12	C120729
PUBCHEM_179	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_179	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_179	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_179	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_179	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_179	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_179	COc1ccc(cc1)O	C150765
PUBCHEM_179	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_179	C=Cc1ccc(cc1)C	C622979
PUBCHEM_179	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_179	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_179	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_179	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_179	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_179	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_179	Nc1ccc(cc1)N	C106503
PUBCHEM_179	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_179	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_179	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_179	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_179	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_179	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_179	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_179	Nc1ccccc1C.Cl	C636215
PUBCHEM_179	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_179	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_179	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_179	O=CCc1ccccc1	C122781
PUBCHEM_179	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_179	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_179	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_179	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_179	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_179	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_179	O=Cc1ccccc1O	C90028
PUBCHEM_179	Oc1cccc2ccccc12	C90153
PUBCHEM_179	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_179	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_179	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_179	ON=C1CCCCC1	C100641
PUBCHEM_179	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_179	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_179	Oc1ccc(Cl)cc1	C106489
PUBCHEM_179	C1CCCCC1O	C108930
PUBCHEM_179	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_179	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_179	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_179	Oc1ccc(CC)cc1	C123079
PUBCHEM_179	COc1ccc(OC)cc1	C150787
PUBCHEM_179	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_179	Oc1ccc(CCC)cc1	C645567
PUBCHEM_179	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_179	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_179	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_179	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_179	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_179	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_179	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_179	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_179	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_179	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_179	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_179	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_179	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_179	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_179	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_179	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_179	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_179	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_179	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_179	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_179	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_179	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_179	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_179	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_179	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_179	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_179	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_179	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_179	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_179	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_179	c1(c(CC)cccc1)O	C90006
PUBCHEM_179	c1c(O)cccc1CC	C620177
PUBCHEM_179	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_179	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_179	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_179	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_179	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_179	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_179	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_179	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_179	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_179	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_179	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_179	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_179	c1cccc(OC)c1O	C90051
PUBCHEM_179	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_179	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_179	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_179	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_179	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_179	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_179	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_179	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_179	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_179	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_179	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_179	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_179	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_179	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_179	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_179	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_179	Cc1cc(O)ccc1	C108394
PUBCHEM_179	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_179	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_179	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_179	c1ccc2ncsc2c1	C95169
PUBCHEM_179	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_179	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_179	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_179	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_179	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_179	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_179	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_179	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_179	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_179	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_179	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_179	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_179	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_179	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_179	Cc1c(C)cccc1O	C526750
PUBCHEM_179	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_179	C=Cc1ccccc1C=C	C1321740
PUBCHEM_179	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_179	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_179	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_179	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_179	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_179	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_179	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_179	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_179	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_179	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_179	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_179	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_179	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_179	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_179	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_179	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_179	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_179	c12ccccc1CCCC2	C119642
PUBCHEM_179	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_179	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_179	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_179	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_179	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_179	Cc1cccc(C)c1	C108383
PUBCHEM_179	OCCc1ccccc1	C60128
PUBCHEM_179	O=C(O)c1ccccc1O	C69727
PUBCHEM_179	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_179	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_179	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_179	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_179	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_179	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_179	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_179	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_179	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_179	Sc1ccccc1	C108985
PUBCHEM_179	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_179	Oc1ccc2ccccc2c1	C135193
PUBCHEM_179	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_179	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_179	Brc1ccc(F)cc1	C460004
PUBCHEM_179	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_179	ClP(c1ccccc1)Cl	C644973
PUBCHEM_179	OC(C)COc1ccccc1	C770354
PUBCHEM_179	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_179	Nc1cccc(C)c1C	C1300738
PUBCHEM_179	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_179	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_179	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_179	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_179	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_179	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_179	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_179	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_179	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_179	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_179	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_179	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_179	Nc1c(C)cccc1CC	C24549062
PUBCHEM_179	Clc1cccc(C)c1	C25168052
PUBCHEM_179	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_179	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_179	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_179	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_179	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_179	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_179	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_179	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_179	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_179	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_179	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_179	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_179	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_179	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_179	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_179	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_179	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_179	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_179	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_179	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_179	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_179	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_179	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_179	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_179	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_179	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_179	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_179	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_179	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_179	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_179	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_179	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_179	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_179	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_179	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_179	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_179	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_179	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_179	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_179	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_179	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_179	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_179	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_179	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_179	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_179	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_179	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_179	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_179	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_179	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_179	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_179	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_179	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_179	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_179	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_179	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_179	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_179	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_179	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_179	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_179	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_179	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_179	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_179	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_179	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_179	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_179	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_179	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_179	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_179	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_179	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_179	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_179	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_179	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_179	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_179	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_179	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_179	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_179	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_179	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_179	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_179	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_179	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_179	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_179	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_179	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_179	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_179	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_179	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_179	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_179	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_179	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_179	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_179	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_179	O=C(c1ccccc1O)C	C118934
PUBCHEM_179	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_179	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_179	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_179	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_179	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_179	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_179	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_179	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_179	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_179	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_179	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_179	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_179	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_179	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_179	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_179	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_179	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_179	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_179	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_179	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_179	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_179	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_179	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_179	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_179	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_179	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_179	Oc1ccccc1CN(C)C	C120650
PUBCHEM_179	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_179	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_179	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_179	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_179	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_179	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_179	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_179	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_179	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_179	OCC=Cc1ccccc1	C104541
PUBCHEM_179	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_179	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_179	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_179	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_179	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_179	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_179	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_179	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_179	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_179	N#Cc1c(O)cccc1	C611201
PUBCHEM_179	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_179	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_179	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_179	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_179	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_179	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_179	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_179	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_179	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_179	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_179	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_179	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_179	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_179	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_179	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_179	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_179	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_179	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_179	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_179	c12ccccc1CC=C2	C95136
PUBCHEM_179	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_179	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_179	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_179	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_179	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_179	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_179	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_179	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_179	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_179	Oc1c(OCC)cccc1	C94713
PUBCHEM_179	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_179	COc1ccc(CCC)cc1	C104450
PUBCHEM_179	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_179	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_179	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_179	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_179	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_179	OC(CO)c1ccccc1	C93561
PUBCHEM_179	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_179	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_179	O=C(N)Nc1ccccc1	C64108
PUBCHEM_179	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_179	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_179	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_179	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_179	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_179	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_179	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_179	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_179	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_179	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_179	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_179	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_179	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_179	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_179	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_179	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_179	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_179	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_179	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_179	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_179	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_179	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_179	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_179	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_179	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_179	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_179	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_179	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_179	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_179	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_179	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_179	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_179	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_179	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_179	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_179	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_179	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_179	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_179	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_179	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_179	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_179	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_179	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_179	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_179	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_179	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_179	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_179	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_179	Sc1ccc(C)cc1	C106456
PUBCHEM_179	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_179	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_179	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_179	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_179	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_179	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_179	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_179	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_179	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_179	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_179	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_179	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_179	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_179	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_179	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_179	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_179	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_179	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_179	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_179	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_179	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_179	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_179	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_179	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_179	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_179	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_179	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_179	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_179	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_179	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_179	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_179	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_179	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_179	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_179	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_179	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_179	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_179	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_179	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_179	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_179	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_179	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_179	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_179	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_179	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_179	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_179	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_179	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_179	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_179	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_179	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_179	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_179	c1ccccc1OCCO	C122996
PUBCHEM_179	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_179	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_179	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_179	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_179	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_179	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_179	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_179	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_179	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_179	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_179	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_179	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_179	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_179	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_179	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_179	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_179	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_179	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_179	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_179	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_179	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_179	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_179	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_179	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_179	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_179	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_179	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_179	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_179	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_179	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_179	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_179	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_179	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_179	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_179	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_179	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_179	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_179	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_179	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_179	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_179	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_179	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_179	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_179	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_179	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_179	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_179	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_179	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_179	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_179	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_179	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_179	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_179	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_179	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_179	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_179	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_179	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_179	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_179	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_179	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_179	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_179	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_179	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_179	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_179	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_179	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_179	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_179	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_179	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_179	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_179	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_179	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_179	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_179	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_179	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_179	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_179	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_179	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_179	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_179	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_179	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_179	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_179	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_179	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_179	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_179	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_179	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_179	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_179	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_179	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_179	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_179	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_179	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_179	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_179	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_179	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_179	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_179	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_179	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_179	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_179	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_179	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_179	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_179	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_179	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_179	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_179	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_179	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_179	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_179	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_179	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_179	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_179	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_179	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_179	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_179	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_179	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_179	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_179	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_179	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_179	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_179	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_179	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_179	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_179	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_179	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_179	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_179	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_179	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_179	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_179	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_179	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_179	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_179	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_179	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_179	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_179	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_179	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_179	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_179	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_179	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_179	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_179	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_179	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_179	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_179	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_179	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_179	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_179	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_179	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_179	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_179	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_179	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_179	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_179	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_179	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_179	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_179	c1coc2c1cccc2	C271896
PUBCHEM_179	OC(=O)c1ccccc1	C65850
PUBCHEM_179	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_179	OCc1ccccc1	C100516
PUBCHEM_179	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_179	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_179	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_179	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_179	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_179	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_179	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_179	Oc1c(cccc1)O	C120809
PUBCHEM_179	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_179	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_179	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_179	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_179	O=C(c1ccccc1)CCl	C532274
PUBCHEM_179	Nc1ccc(cc1)Cl	C106478
PUBCHEM_179	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_179	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_179	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_179	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_179	Nc1cc(ccc1OC)C	C120718
PUBCHEM_179	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_179	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_179	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_179	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_179	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_179	Clc1c(cccc1)Cl	C95501
PUBCHEM_179	Clc1ccc(cc1)Cl	C106467
PUBCHEM_179	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_179	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_179	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_179	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_179	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_179	CN(c1ccccc1)C	C121697
PUBCHEM_179	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_179	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_179	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_179	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_179	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_179	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_179	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_179	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_179	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_179	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_179	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_179	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_179	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_179	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_179	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_179	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_179	Oc1ccc(cc1)O	C123319
PUBCHEM_179	Oc1cccc2cccnc12	C148243
PUBCHEM_179	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_179	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_179	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_179	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_179	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_179	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_179	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_179	Cc1cc2cccnc2cc1	C91623
PUBCHEM_179	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_179	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_179	c1c2c(ccc1)cccc2	C91203
PUBCHEM_179	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_179	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_179	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_179	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_179	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_179	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_179	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_179	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_179	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_179	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_179	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_179	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_179	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_179	Oc1ccccc1	C108952
PUBCHEM_179	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_179	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_179	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_179	Nc1cc(ccc1)N	C108452
PUBCHEM_179	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_179	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_179	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_179	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_179	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_179	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_179	Oc1cc(ccc1)O	C108463
PUBCHEM_179	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_179	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_179	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_179	C1C(c2ccccc2)O1	C96093
PUBCHEM_179	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_179	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_179	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_179	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_179	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_179	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_179	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_179	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_179	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_179	Oc1ccccc1Cl	C95578
PUBCHEM_179	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_179	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_179	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_179	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_179	n1cccc2c1cccc2	C91225
PUBCHEM_179	CCN(CC)c1ccccc1	C91667
PUBCHEM_179	Oc1c(C)cccc1	C95487
PUBCHEM_179	c1ccccc1C(=O)C	C98862
PUBCHEM_179	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_179	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_179	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_179	CCNc1cc(C)ccc1	C102272
PUBCHEM_179	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_179	Oc1ccc(C)cc1	C106445
PUBCHEM_179	Nc1ccc(C)cc1	C106490
PUBCHEM_179	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_179	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_179	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_179	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_179	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_179	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_179	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_179	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_179	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_179	Clc1cc(Cl)ccc1	C541731
PUBCHEM_179	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_179	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_179	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_179	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_179	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_179	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_179	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_179	c1(CCCC)ccccc1	C104518
PUBCHEM_179	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_179	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_179	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_179	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_179	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_179	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_179	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_179	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_179	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_179	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_179	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_179	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_179	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_179	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_179	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_179	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_179	Nc1c(OC)cccc1	C90040
PUBCHEM_179	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_179	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_179	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_179	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_179	Cc1ccccc1Cl	C95498
PUBCHEM_179	NC1CCCCC1	C108918
PUBCHEM_179	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_179	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_179	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_179	Oc1c(cccc1C)C	C576261
PUBCHEM_179	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_179	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_179	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_179	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_179	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_179	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_179	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_179	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_179	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_179	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_179	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_179	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_179	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_179	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_179	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_179	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_179	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_179	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_179	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_179	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_179	Cc1ccc(Cl)cc1	C106434
PUBCHEM_179	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_179	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_179	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_179	Nc1cc(C)ccc1N	C496720
PUBCHEM_179	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_179	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_179	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_179	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_179	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_179	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_179	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_179	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_179	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_179	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_179	N(c1ccccc1)CC	C103695
PUBCHEM_179	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_179	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_179	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_179	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_179	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_179	Nc1c(N)cccc1	C95545
PUBCHEM_179	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_179	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_179	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_179	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_179	Nc1c(cccc1)C	C95534
PUBCHEM_179	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_179	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_179	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_179	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_179	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_179	Nc1c(cccc1C)C	C87627
PUBCHEM_179	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_179	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_179	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_179	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_179	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_179	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_179	Nc1cccc(C)c1	C108441
PUBCHEM_179	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_179	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_179	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_179	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_179	Nc1c(CC)cccc1CC	C579668
PUBCHEM_179	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_179	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_179	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_179	Nc1cccc(C)c1N	C2687254
PUBCHEM_179	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_179	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_179	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_179	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_179	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_179	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_179	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_179	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_179	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_179	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_179	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_179	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_179	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_179	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_179	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_179	O=Cc1ccccc1C=O	C643798
PUBCHEM_179	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_179	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_179	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_179	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_179	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_179	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_179	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_179	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_179	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_179	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_179	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_179	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_179	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_179	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_179	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_179	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_179	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_179	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_179	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_179	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_179	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_179	CCCc1ccccc1	C103651
PUBCHEM_179	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_179	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_179	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_179	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_179	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_179	CC(C)(C)c1ccccc1	C98066
PUBCHEM_179	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_179	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_179	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_179	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_179	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_179	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_179	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_179	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_179	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_179	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_179	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_179	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_179	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_179	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_179	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_179	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_179	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_179	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_179	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_179	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_179	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_179	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_179	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_179	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_179	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_179	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_179	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_179	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_179	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_179	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_179	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_179	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_179	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_179	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_179	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_179	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_179	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_179	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_179	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_179	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_179	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_179	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_179	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_179	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_179	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_179	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_179	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_179	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_179	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_179	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_179	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_179	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_179	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_179	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_179	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_179	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_179	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_179	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_179	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_179	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_179	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_179	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_179	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_179	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_179	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_179	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_179	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_179	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_179	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_179	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_179	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_179	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_179	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_179	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_179	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_179	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_179	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_179	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_179	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_179	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_179	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_179	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_179	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_179	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_179	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_179	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_179	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_179	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_179	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_179	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_179	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_179	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_179	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_179	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_179	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_179	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_179	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_179	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_179	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_179	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_179	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_179	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_179	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_179	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_179	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_179	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_179	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_179	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_179	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_179	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_179	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_179	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_179	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_179	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_179	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_179	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_179	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_179	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_179	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_179	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_179	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_179	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_179	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_179	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_179	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_179	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_179	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_179	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_179	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_179	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_179	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_179	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_179	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_179	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_179	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_179	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_179	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_179	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_179	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_179	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_179	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_179	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_179	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_179	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_179	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_179	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_179	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_179	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_179	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_179	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_179	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_179	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_179	O=C(OCC)c1ccccc1	C93890
PUBCHEM_179	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_179	NCc1cccc(CN)c1	C1477550
PUBCHEM_179	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_179	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_179	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_179	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_179	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_179	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_179	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_179	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_179	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_179	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_179	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_179	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_179	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_179	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_179	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_179	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_179	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_179	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_179	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_179	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_179	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_179	NNc1ccccc1.Cl	C59881
PUBCHEM_179	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_179	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_179	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_179	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_179	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_179	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_179	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_179	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_179	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_179	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_179	N#Cc1ccccc1	C100470
PUBCHEM_179	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_179	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_179	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_179	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_179	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_179	Nc1ccc(Br)cc1	C106401
PUBCHEM_179	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_179	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_179	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_179	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_179	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_179	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_179	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_179	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_179	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_179	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_179	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_179	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_179	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_179	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_179	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_179	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_179	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_179	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_179	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_179	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_179	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_179	Nc1ccc(OC)cc1	C104949
PUBCHEM_179	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_179	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_179	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_179	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_179	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_179	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_179	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_179	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_179	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_179	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_179	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_179	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_179	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_179	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_179	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_179	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_179	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_179	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_179	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_179	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_179	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_179	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_179	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_179	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_179	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_179	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_179	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_179	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_179	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_179	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_179	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_179	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_179	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_179	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_179	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_179	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_179	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_179	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_179	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_179	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_179	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_179	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_179	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_179	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_179	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_179	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_179	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_179	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_179	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_179	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_179	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_179	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_179	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_179	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_179	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_179	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_179	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_179	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_179	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_179	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_179	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_179	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_179	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_179	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_179	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_179	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_179	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_179	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_179	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_179	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_179	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_179	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_179	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_179	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_179	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_179	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_179	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_179	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_179	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_179	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_179	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_179	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_179	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_179	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_179	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_179	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_179	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_179	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_179	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_179	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_179	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_179	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_179	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_179	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_179	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_179	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_179	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_179	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_179	Cl[Hg]c1ccccc1	C100561
PUBCHEM_179	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_179	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_179	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_179	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_179	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_179	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_179	O=[As]c1ccccc1	C637036
PUBCHEM_179	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_179	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_179	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_179	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_179	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_179	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_179	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_179	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_179	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_179	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_179	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_179	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_179	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_179	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_179	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_179	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_179	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_179	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_179	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_179	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_179	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_179	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_179	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_179	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_179	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_179	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_179	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_179	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_179	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_179	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_179	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_179	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_179	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_179	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_179	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_179	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_179	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_179	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_179	CC1COc2ccccc2N1	C32329207
PUBCHEM_179	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_179	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_179	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_179	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_179	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_179	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_179	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_179	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_179	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_179	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_179	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_179	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_179	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_179	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_179	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_179	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_179	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_179	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_179	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_179	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_179	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_179	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_179	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_179	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_179	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_179	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_179	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_179	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_179	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_179	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_179	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_180	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_180	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_180	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_180	NC(=O)c1cccnc1	C98920
PUBCHEM_180	OC(=O)c1cccnc1	C59676
PUBCHEM_180	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_180	OCCN1CCNCC1	C103764
PUBCHEM_180	NCCN1CCNCC1	C140318
PUBCHEM_180	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_180	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_180	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_180	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_180	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_180	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_180	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_180	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_180	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_180	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_180	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_180	C1COCCN1	C110918
PUBCHEM_180	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_180	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_180	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_180	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_180	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_180	CN1CCOCC1	C109024
PUBCHEM_180	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_180	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_180	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_180	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_180	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_180	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_180	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_180	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_180	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_180	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_180	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_180	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_180	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_180	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_180	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_180	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_180	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_180	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_180	NCCCN1CCOCC1	C123002
PUBCHEM_180	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_180	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_180	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_180	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_180	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_180	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_180	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_180	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_180	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_180	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_180	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_180	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_180	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_180	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_180	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_180	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_180	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_180	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_180	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_180	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_180	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_180	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_180	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_180	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_180	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_180	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_180	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_180	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_180	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_180	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_180	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_180	CN1CN(C)CSC1=S	C533744
PUBCHEM_180	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_180	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_180	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_180	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_180	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_180	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_180	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_180	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_180	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_180	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_180	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_180	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_180	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_180	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_180	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_180	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_180	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_180	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_180	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_180	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_180	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_180	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_180	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_180	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_180	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_180	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_180	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_180	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_180	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_180	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_180	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_180	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_180	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_180	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_180	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_180	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_180	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_180	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_180	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_180	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_180	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_180	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_180	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_180	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_180	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_180	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_180	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_180	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_180	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_180	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_180	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_180	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_180	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_180	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_180	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_180	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_180	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_180	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_180	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_180	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_180	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_180	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_180	Oc1cccc2cccnc12	C148243
PUBCHEM_180	O=C(c1ccncc1)NN	C54853
PUBCHEM_180	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_180	Cc1cc2cccnc2cc1	C91623
PUBCHEM_180	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_180	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_180	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_180	C1CNCCN1	C110850
PUBCHEM_180	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_180	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_180	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_180	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_180	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_180	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_180	n1cccc2c1cccc2	C91225
PUBCHEM_180	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_180	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_180	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_180	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_180	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_180	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_180	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_180	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_180	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_180	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_180	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_180	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_180	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_180	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_180	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_180	N#Cc1cnccc1	C100549
PUBCHEM_180	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_180	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_180	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_180	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_180	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_180	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_180	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_180	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_180	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_180	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_180	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_180	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_180	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_180	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_180	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_180	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_180	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_180	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_180	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_180	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_180	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_180	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_180	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_180	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_180	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_180	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_180	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_180	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_180	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_180	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_180	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_180	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_180	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_180	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_180	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_180	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_180	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_180	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_180	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_180	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_180	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_180	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_180	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_180	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_180	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_180	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_180	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_180	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_180	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_180	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_180	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_180	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_180	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_180	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_180	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_180	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_180	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_180	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_180	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_180	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_180	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_180	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_180	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_180	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_180	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_180	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_180	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_180	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_180	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_180	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_180	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_180	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_180	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_180	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_180	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_180	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_180	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_180	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_180	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_180	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_180	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_180	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_180	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_180	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_180	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_180	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_180	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_180	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_180	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_180	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_180	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_180	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_180	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_180	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_180	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_180	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_180	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_180	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_180	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_180	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_180	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_180	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_180	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_180	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_180	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_180	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_180	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_180	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_180	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_180	n1cc(C)ccc1	C108996
PUBCHEM_180	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_180	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_180	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_180	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_180	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_180	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_180	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_180	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_180	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_180	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_180	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_180	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_180	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_180	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_180	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_180	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_180	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_180	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_180	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_180	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_180	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_180	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_180	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_180	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_180	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_180	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_180	O=CN1CCCCC1	C2591868
PUBCHEM_180	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_180	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_180	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_180	Nc1cccc(C)n1	C1824813
PUBCHEM_180	CC1COc2ccccc2N1	C32329207
PUBCHEM_180	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_180	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_180	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_180	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_180	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_180	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_180	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_181	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_181	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_181	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_181	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_181	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_181	NC(=O)c1cccnc1	C98920
PUBCHEM_181	OC(=O)c1cccnc1	C59676
PUBCHEM_181	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_181	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_181	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_181	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_181	OCCN1CCNCC1	C103764
PUBCHEM_181	NCCN1CCNCC1	C140318
PUBCHEM_181	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_181	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_181	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_181	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_181	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_181	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_181	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_181	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_181	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_181	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_181	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_181	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_181	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_181	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_181	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_181	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_181	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_181	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_181	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_181	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_181	C1COCCN1	C110918
PUBCHEM_181	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_181	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_181	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_181	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_181	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_181	CN1CCOCC1	C109024
PUBCHEM_181	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_181	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_181	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_181	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_181	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_181	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_181	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_181	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_181	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_181	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_181	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_181	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_181	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_181	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_181	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_181	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_181	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_181	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_181	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_181	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_181	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_181	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_181	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_181	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_181	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_181	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_181	NCCCN1CCOCC1	C123002
PUBCHEM_181	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_181	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_181	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_181	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_181	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_181	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_181	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_181	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_181	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_181	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_181	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_181	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_181	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_181	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_181	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_181	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_181	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_181	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_181	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_181	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_181	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_181	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_181	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_181	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_181	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_181	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_181	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_181	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_181	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_181	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_181	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_181	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_181	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_181	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_181	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_181	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_181	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_181	CN1CN(C)CSC1=S	C533744
PUBCHEM_181	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_181	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_181	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_181	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_181	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_181	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_181	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_181	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_181	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_181	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_181	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_181	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_181	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_181	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_181	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_181	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_181	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_181	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_181	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_181	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_181	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_181	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_181	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_181	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_181	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_181	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_181	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_181	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_181	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_181	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_181	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_181	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_181	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_181	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_181	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_181	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_181	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_181	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_181	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_181	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_181	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_181	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_181	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_181	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_181	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_181	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_181	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_181	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_181	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_181	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_181	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_181	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_181	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_181	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_181	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_181	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_181	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_181	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_181	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_181	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_181	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_181	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_181	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_181	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_181	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_181	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_181	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_181	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_181	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_181	Oc1cccc2cccnc12	C148243
PUBCHEM_181	O=C(c1ccncc1)NN	C54853
PUBCHEM_181	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_181	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_181	Cc1cc2cccnc2cc1	C91623
PUBCHEM_181	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_181	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_181	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_181	C1CNCCN1	C110850
PUBCHEM_181	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_181	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_181	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_181	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_181	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_181	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_181	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_181	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_181	n1cccc2c1cccc2	C91225
PUBCHEM_181	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_181	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_181	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_181	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_181	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_181	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_181	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_181	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_181	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_181	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_181	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_181	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_181	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_181	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_181	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_181	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_181	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_181	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_181	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_181	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_181	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_181	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_181	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_181	N#Cc1cnccc1	C100549
PUBCHEM_181	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_181	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_181	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_181	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_181	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_181	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_181	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_181	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_181	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_181	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_181	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_181	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_181	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_181	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_181	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_181	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_181	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_181	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_181	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_181	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_181	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_181	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_181	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_181	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_181	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_181	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_181	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_181	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_181	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_181	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_181	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_181	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_181	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_181	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_181	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_181	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_181	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_181	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_181	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_181	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_181	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_181	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_181	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_181	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_181	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_181	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_181	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_181	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_181	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_181	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_181	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_181	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_181	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_181	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_181	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_181	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_181	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_181	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_181	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_181	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_181	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_181	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_181	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_181	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_181	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_181	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_181	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_181	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_181	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_181	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_181	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_181	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_181	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_181	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_181	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_181	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_181	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_181	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_181	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_181	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_181	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_181	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_181	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_181	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_181	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_181	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_181	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_181	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_181	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_181	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_181	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_181	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_181	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_181	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_181	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_181	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_181	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_181	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_181	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_181	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_181	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_181	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_181	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_181	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_181	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_181	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_181	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_181	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_181	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_181	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_181	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_181	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_181	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_181	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_181	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_181	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_181	n1cc(C)ccc1	C108996
PUBCHEM_181	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_181	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_181	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_181	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_181	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_181	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_181	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_181	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_181	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_181	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_181	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_181	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_181	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_181	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_181	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_181	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_181	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_181	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_181	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_181	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_181	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_181	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_181	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_181	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_181	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_181	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_181	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_181	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_181	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_181	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_181	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_181	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_181	O=CN1CCCCC1	C2591868
PUBCHEM_181	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_181	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_181	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_181	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_181	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_181	Nc1cccc(C)n1	C1824813
PUBCHEM_181	CC1COc2ccccc2N1	C32329207
PUBCHEM_181	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_181	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_181	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_181	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_181	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_181	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_181	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_181	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_185	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_185	Nc1ccccc1.Cl	C142041
PUBCHEM_185	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_185	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_185	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_185	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_185	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_185	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_185	CC(=O)OCc1ccccc1	C140114
PUBCHEM_185	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_185	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_185	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_185	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_185	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_185	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_185	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_185	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_185	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_185	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_185	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_185	O=C1CCCCC1	C108941
PUBCHEM_185	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_185	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_185	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_185	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_185	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_185	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_185	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_185	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_185	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_185	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_185	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_185	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_185	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_185	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_185	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_185	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_185	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_185	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_185	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_185	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_185	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_185	c1cccc2[nH]ccc12	C120729
PUBCHEM_185	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_185	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_185	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_185	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_185	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_185	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_185	COc1ccc(cc1)O	C150765
PUBCHEM_185	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_185	C=Cc1ccc(cc1)C	C622979
PUBCHEM_185	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_185	NC(=O)c1cccnc1	C98920
PUBCHEM_185	OC(=O)c1cccnc1	C59676
PUBCHEM_185	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_185	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_185	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_185	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_185	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_185	Nc1ccc(cc1)N	C106503
PUBCHEM_185	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_185	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_185	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_185	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_185	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_185	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_185	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_185	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_185	Nc1ccccc1C.Cl	C636215
PUBCHEM_185	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_185	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_185	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_185	O=CCc1ccccc1	C122781
PUBCHEM_185	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_185	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_185	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_185	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_185	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_185	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_185	O=Cc1ccccc1O	C90028
PUBCHEM_185	Oc1cccc2ccccc12	C90153
PUBCHEM_185	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_185	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_185	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_185	ON=C1CCCCC1	C100641
PUBCHEM_185	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_185	OCCN1CCNCC1	C103764
PUBCHEM_185	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_185	Oc1ccc(Cl)cc1	C106489
PUBCHEM_185	C1CCCCC1O	C108930
PUBCHEM_185	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_185	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_185	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_185	Oc1ccc(CC)cc1	C123079
PUBCHEM_185	NCCN1CCNCC1	C140318
PUBCHEM_185	COc1ccc(OC)cc1	C150787
PUBCHEM_185	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_185	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_185	Oc1ccc(CCC)cc1	C645567
PUBCHEM_185	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_185	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_185	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_185	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_185	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_185	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_185	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_185	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_185	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_185	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_185	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_185	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_185	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_185	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_185	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_185	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_185	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_185	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_185	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_185	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_185	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_185	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_185	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_185	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_185	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_185	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_185	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_185	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_185	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_185	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_185	c1(c(CC)cccc1)O	C90006
PUBCHEM_185	c1c(O)cccc1CC	C620177
PUBCHEM_185	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_185	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_185	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_185	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_185	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_185	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_185	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_185	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_185	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_185	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_185	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_185	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_185	c1cccc(OC)c1O	C90051
PUBCHEM_185	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_185	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_185	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_185	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_185	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_185	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_185	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_185	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_185	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_185	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_185	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_185	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_185	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_185	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_185	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_185	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_185	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_185	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_185	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_185	Cc1cc(O)ccc1	C108394
PUBCHEM_185	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_185	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_185	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_185	c1ccc2ncsc2c1	C95169
PUBCHEM_185	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_185	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_185	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_185	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_185	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_185	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_185	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_185	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_185	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_185	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_185	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_185	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_185	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_185	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_185	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_185	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_185	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_185	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_185	Cc1c(C)cccc1O	C526750
PUBCHEM_185	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_185	C=Cc1ccccc1C=C	C1321740
PUBCHEM_185	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_185	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_185	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_185	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_185	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_185	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_185	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_185	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_185	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_185	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_185	C1COCCN1	C110918
PUBCHEM_185	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_185	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_185	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_185	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_185	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_185	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_185	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_185	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_185	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_185	c12ccccc1CCCC2	C119642
PUBCHEM_185	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_185	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_185	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_185	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_185	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_185	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_185	Cc1cccc(C)c1	C108383
PUBCHEM_185	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_185	OCCc1ccccc1	C60128
PUBCHEM_185	O=C(O)c1ccccc1O	C69727
PUBCHEM_185	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_185	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_185	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_185	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_185	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_185	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_185	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_185	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_185	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_185	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_185	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_185	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_185	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_185	Sc1ccccc1	C108985
PUBCHEM_185	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_185	Oc1ccc2ccccc2c1	C135193
PUBCHEM_185	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_185	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_185	Brc1ccc(F)cc1	C460004
PUBCHEM_185	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_185	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_185	ClP(c1ccccc1)Cl	C644973
PUBCHEM_185	OC(C)COc1ccccc1	C770354
PUBCHEM_185	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_185	Nc1cccc(C)c1C	C1300738
PUBCHEM_185	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_185	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_185	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_185	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_185	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_185	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_185	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_185	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_185	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_185	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_185	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_185	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_185	Nc1c(C)cccc1CC	C24549062
PUBCHEM_185	Clc1cccc(C)c1	C25168052
PUBCHEM_185	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_185	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_185	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_185	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_185	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_185	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_185	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_185	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_185	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_185	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_185	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_185	CN1CCOCC1	C109024
PUBCHEM_185	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_185	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_185	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_185	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_185	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_185	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_185	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_185	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_185	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_185	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_185	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_185	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_185	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_185	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_185	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_185	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_185	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_185	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_185	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_185	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_185	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_185	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_185	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_185	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_185	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_185	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_185	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_185	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_185	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_185	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_185	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_185	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_185	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_185	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_185	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_185	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_185	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_185	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_185	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_185	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_185	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_185	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_185	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_185	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_185	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_185	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_185	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_185	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_185	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_185	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_185	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_185	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_185	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_185	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_185	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_185	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_185	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_185	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_185	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_185	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_185	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_185	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_185	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_185	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_185	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_185	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_185	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_185	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_185	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_185	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_185	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_185	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_185	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_185	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_185	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_185	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_185	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_185	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_185	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_185	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_185	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_185	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_185	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_185	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_185	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_185	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_185	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_185	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_185	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_185	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_185	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_185	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_185	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_185	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_185	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_185	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_185	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_185	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_185	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_185	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_185	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_185	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_185	O=C(c1ccccc1O)C	C118934
PUBCHEM_185	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_185	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_185	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_185	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_185	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_185	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_185	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_185	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_185	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_185	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_185	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_185	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_185	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_185	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_185	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_185	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_185	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_185	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_185	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_185	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_185	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_185	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_185	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_185	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_185	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_185	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_185	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_185	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_185	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_185	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_185	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_185	Oc1ccccc1CN(C)C	C120650
PUBCHEM_185	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_185	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_185	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_185	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_185	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_185	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_185	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_185	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_185	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_185	O1C=CCCC1	C110872
PUBCHEM_185	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_185	OCC=Cc1ccccc1	C104541
PUBCHEM_185	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_185	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_185	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_185	NCCCN1CCOCC1	C123002
PUBCHEM_185	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_185	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_185	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_185	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_185	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_185	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_185	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_185	N#Cc1c(O)cccc1	C611201
PUBCHEM_185	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_185	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_185	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_185	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_185	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_185	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_185	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_185	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_185	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_185	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_185	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_185	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_185	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_185	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_185	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_185	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_185	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_185	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_185	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_185	c12ccccc1CC=C2	C95136
PUBCHEM_185	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_185	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_185	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_185	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_185	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_185	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_185	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_185	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_185	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_185	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_185	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_185	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_185	Oc1c(OCC)cccc1	C94713
PUBCHEM_185	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_185	COc1ccc(CCC)cc1	C104450
PUBCHEM_185	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_185	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_185	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_185	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_185	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_185	OC(CO)c1ccccc1	C93561
PUBCHEM_185	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_185	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_185	O=C(N)Nc1ccccc1	C64108
PUBCHEM_185	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_185	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_185	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_185	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_185	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_185	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_185	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_185	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_185	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_185	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_185	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_185	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_185	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_185	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_185	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_185	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_185	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_185	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_185	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_185	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_185	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_185	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_185	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_185	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_185	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_185	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_185	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_185	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_185	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_185	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_185	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_185	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_185	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_185	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_185	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_185	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_185	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_185	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_185	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_185	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_185	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_185	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_185	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_185	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_185	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_185	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_185	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_185	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_185	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_185	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_185	Sc1ccc(C)cc1	C106456
PUBCHEM_185	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_185	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_185	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_185	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_185	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_185	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_185	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_185	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_185	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_185	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_185	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_185	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_185	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_185	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_185	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_185	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_185	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_185	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_185	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_185	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_185	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_185	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_185	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_185	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_185	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_185	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_185	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_185	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_185	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_185	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_185	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_185	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_185	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_185	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_185	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_185	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_185	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_185	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_185	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_185	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_185	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_185	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_185	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_185	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_185	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_185	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_185	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_185	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_185	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_185	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_185	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_185	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_185	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_185	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_185	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_185	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_185	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_185	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_185	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_185	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_185	c1ccccc1OCCO	C122996
PUBCHEM_185	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_185	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_185	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_185	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_185	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_185	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_185	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_185	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_185	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_185	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_185	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_185	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_185	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_185	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_185	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_185	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_185	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_185	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_185	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_185	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_185	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_185	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_185	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_185	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_185	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_185	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_185	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_185	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_185	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_185	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_185	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_185	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_185	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_185	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_185	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_185	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_185	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_185	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_185	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_185	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_185	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_185	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_185	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_185	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_185	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_185	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_185	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_185	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_185	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_185	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_185	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_185	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_185	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_185	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_185	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_185	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_185	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_185	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_185	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_185	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_185	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_185	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_185	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_185	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_185	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_185	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_185	CN1CN(C)CSC1=S	C533744
PUBCHEM_185	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_185	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_185	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_185	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_185	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_185	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_185	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_185	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_185	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_185	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_185	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_185	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_185	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_185	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_185	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_185	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_185	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_185	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_185	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_185	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_185	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_185	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_185	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_185	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_185	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_185	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_185	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_185	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_185	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_185	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_185	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_185	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_185	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_185	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_185	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_185	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_185	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_185	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_185	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_185	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_185	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_185	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_185	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_185	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_185	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_185	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_185	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_185	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_185	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_185	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_185	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_185	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_185	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_185	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_185	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_185	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_185	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_185	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_185	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_185	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_185	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_185	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_185	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_185	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_185	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_185	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_185	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_185	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_185	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_185	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_185	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_185	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_185	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_185	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_185	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_185	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_185	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_185	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_185	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_185	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_185	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_185	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_185	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_185	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_185	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_185	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_185	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_185	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_185	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_185	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_185	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_185	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_185	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_185	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_185	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_185	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_185	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_185	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_185	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_185	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_185	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_185	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_185	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_185	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_185	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_185	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_185	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_185	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_185	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_185	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_185	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_185	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_185	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_185	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_185	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_185	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_185	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_185	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_185	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_185	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_185	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_185	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_185	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_185	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_185	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_185	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_185	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_185	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_185	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_185	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_185	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_185	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_185	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_185	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_185	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_185	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_185	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_185	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_185	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_185	c1coc2c1cccc2	C271896
PUBCHEM_185	OC(=O)c1ccccc1	C65850
PUBCHEM_185	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_185	OCc1ccccc1	C100516
PUBCHEM_185	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_185	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_185	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_185	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_185	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_185	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_185	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_185	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_185	Oc1c(cccc1)O	C120809
PUBCHEM_185	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_185	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_185	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_185	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_185	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_185	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_185	O=C(c1ccccc1)CCl	C532274
PUBCHEM_185	Nc1ccc(cc1)Cl	C106478
PUBCHEM_185	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_185	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_185	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_185	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_185	Nc1cc(ccc1OC)C	C120718
PUBCHEM_185	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_185	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_185	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_185	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_185	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_185	Clc1c(cccc1)Cl	C95501
PUBCHEM_185	Clc1ccc(cc1)Cl	C106467
PUBCHEM_185	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_185	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_185	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_185	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_185	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_185	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_185	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_185	CN(c1ccccc1)C	C121697
PUBCHEM_185	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_185	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_185	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_185	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_185	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_185	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_185	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_185	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_185	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_185	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_185	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_185	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_185	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_185	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_185	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_185	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_185	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_185	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_185	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_185	Oc1ccc(cc1)O	C123319
PUBCHEM_185	Oc1cccc2cccnc12	C148243
PUBCHEM_185	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_185	O=C(c1ccncc1)NN	C54853
PUBCHEM_185	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_185	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_185	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_185	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_185	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_185	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_185	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_185	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_185	Cc1cc2cccnc2cc1	C91623
PUBCHEM_185	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_185	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_185	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_185	c1c2c(ccc1)cccc2	C91203
PUBCHEM_185	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_185	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_185	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_185	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_185	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_185	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_185	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_185	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_185	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_185	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_185	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_185	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_185	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_185	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_185	Oc1ccccc1	C108952
PUBCHEM_185	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_185	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_185	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_185	Nc1cc(ccc1)N	C108452
PUBCHEM_185	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_185	C1CNCCN1	C110850
PUBCHEM_185	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_185	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_185	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_185	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_185	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_185	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_185	Oc1cc(ccc1)O	C108463
PUBCHEM_185	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_185	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_185	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_185	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_185	C1C(c2ccccc2)O1	C96093
PUBCHEM_185	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_185	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_185	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_185	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_185	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_185	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_185	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_185	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_185	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_185	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_185	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_185	Oc1ccccc1Cl	C95578
PUBCHEM_185	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_185	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_185	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_185	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_185	n1cccc2c1cccc2	C91225
PUBCHEM_185	CCN(CC)c1ccccc1	C91667
PUBCHEM_185	Oc1c(C)cccc1	C95487
PUBCHEM_185	c1ccccc1C(=O)C	C98862
PUBCHEM_185	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_185	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_185	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_185	CCNc1cc(C)ccc1	C102272
PUBCHEM_185	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_185	Oc1ccc(C)cc1	C106445
PUBCHEM_185	Nc1ccc(C)cc1	C106490
PUBCHEM_185	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_185	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_185	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_185	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_185	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_185	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_185	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_185	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_185	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_185	Clc1cc(Cl)ccc1	C541731
PUBCHEM_185	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_185	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_185	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_185	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_185	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_185	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_185	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_185	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_185	c1(CCCC)ccccc1	C104518
PUBCHEM_185	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_185	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_185	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_185	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_185	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_185	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_185	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_185	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_185	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_185	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_185	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_185	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_185	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_185	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_185	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_185	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_185	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_185	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_185	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_185	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_185	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_185	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_185	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_185	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_185	Nc1c(OC)cccc1	C90040
PUBCHEM_185	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_185	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_185	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_185	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_185	Cc1ccccc1Cl	C95498
PUBCHEM_185	NC1CCCCC1	C108918
PUBCHEM_185	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_185	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_185	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_185	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_185	Oc1c(cccc1C)C	C576261
PUBCHEM_185	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_185	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_185	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_185	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_185	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_185	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_185	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_185	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_185	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_185	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_185	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_185	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_185	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_185	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_185	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_185	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_185	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_185	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_185	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_185	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_185	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_185	Cc1ccc(Cl)cc1	C106434
PUBCHEM_185	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_185	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_185	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_185	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_185	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_185	Nc1cc(C)ccc1N	C496720
PUBCHEM_185	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_185	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_185	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_185	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_185	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_185	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_185	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_185	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_185	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_185	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_185	N(c1ccccc1)CC	C103695
PUBCHEM_185	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_185	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_185	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_185	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_185	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_185	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_185	Nc1c(N)cccc1	C95545
PUBCHEM_185	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_185	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_185	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_185	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_185	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_185	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_185	Nc1c(cccc1)C	C95534
PUBCHEM_185	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_185	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_185	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_185	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_185	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_185	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_185	Nc1c(cccc1C)C	C87627
PUBCHEM_185	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_185	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_185	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_185	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_185	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_185	N#Cc1cnccc1	C100549
PUBCHEM_185	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_185	Nc1cccc(C)c1	C108441
PUBCHEM_185	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_185	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_185	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_185	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_185	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_185	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_185	Nc1c(CC)cccc1CC	C579668
PUBCHEM_185	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_185	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_185	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_185	Nc1cccc(C)c1N	C2687254
PUBCHEM_185	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_185	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_185	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_185	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_185	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_185	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_185	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_185	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_185	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_185	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_185	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_185	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_185	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_185	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_185	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_185	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_185	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_185	O=Cc1ccccc1C=O	C643798
PUBCHEM_185	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_185	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_185	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_185	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_185	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_185	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_185	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_185	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_185	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_185	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_185	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_185	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_185	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_185	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_185	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_185	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_185	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_185	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_185	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_185	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_185	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_185	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_185	CCCc1ccccc1	C103651
PUBCHEM_185	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_185	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_185	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_185	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_185	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_185	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_185	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_185	CC(C)(C)c1ccccc1	C98066
PUBCHEM_185	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_185	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_185	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_185	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_185	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_185	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_185	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_185	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_185	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_185	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_185	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_185	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_185	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_185	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_185	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_185	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_185	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_185	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_185	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_185	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_185	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_185	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_185	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_185	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_185	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_185	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_185	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_185	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_185	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_185	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_185	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_185	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_185	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_185	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_185	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_185	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_185	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_185	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_185	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_185	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_185	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_185	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_185	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_185	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_185	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_185	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_185	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_185	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_185	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_185	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_185	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_185	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_185	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_185	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_185	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_185	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_185	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_185	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_185	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_185	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_185	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_185	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_185	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_185	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_185	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_185	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_185	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_185	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_185	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_185	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_185	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_185	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_185	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_185	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_185	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_185	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_185	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_185	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_185	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_185	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_185	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_185	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_185	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_185	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_185	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_185	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_185	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_185	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_185	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_185	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_185	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_185	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_185	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_185	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_185	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_185	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_185	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_185	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_185	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_185	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_185	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_185	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_185	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_185	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_185	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_185	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_185	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_185	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_185	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_185	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_185	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_185	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_185	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_185	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_185	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_185	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_185	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_185	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_185	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_185	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_185	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_185	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_185	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_185	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_185	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_185	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_185	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_185	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_185	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_185	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_185	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_185	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_185	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_185	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_185	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_185	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_185	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_185	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_185	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_185	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_185	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_185	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_185	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_185	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_185	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_185	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_185	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_185	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_185	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_185	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_185	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_185	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_185	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_185	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_185	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_185	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_185	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_185	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_185	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_185	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_185	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_185	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_185	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_185	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_185	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_185	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_185	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_185	O=C(OCC)c1ccccc1	C93890
PUBCHEM_185	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_185	NCc1cccc(CN)c1	C1477550
PUBCHEM_185	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_185	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_185	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_185	n1cc(C)ccc1	C108996
PUBCHEM_185	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_185	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_185	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_185	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_185	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_185	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_185	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_185	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_185	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_185	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_185	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_185	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_185	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_185	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_185	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_185	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_185	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_185	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_185	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_185	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_185	NNc1ccccc1.Cl	C59881
PUBCHEM_185	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_185	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_185	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_185	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_185	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_185	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_185	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_185	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_185	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_185	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_185	N#Cc1ccccc1	C100470
PUBCHEM_185	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_185	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_185	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_185	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_185	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_185	Nc1ccc(Br)cc1	C106401
PUBCHEM_185	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_185	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_185	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_185	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_185	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_185	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_185	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_185	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_185	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_185	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_185	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_185	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_185	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_185	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_185	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_185	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_185	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_185	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_185	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_185	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_185	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_185	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_185	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_185	Nc1ccc(OC)cc1	C104949
PUBCHEM_185	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_185	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_185	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_185	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_185	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_185	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_185	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_185	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_185	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_185	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_185	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_185	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_185	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_185	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_185	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_185	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_185	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_185	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_185	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_185	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_185	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_185	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_185	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_185	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_185	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_185	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_185	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_185	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_185	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_185	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_185	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_185	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_185	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_185	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_185	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_185	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_185	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_185	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_185	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_185	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_185	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_185	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_185	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_185	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_185	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_185	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_185	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_185	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_185	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_185	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_185	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_185	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_185	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_185	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_185	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_185	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_185	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_185	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_185	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_185	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_185	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_185	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_185	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_185	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_185	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_185	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_185	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_185	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_185	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_185	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_185	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_185	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_185	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_185	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_185	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_185	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_185	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_185	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_185	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_185	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_185	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_185	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_185	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_185	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_185	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_185	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_185	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_185	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_185	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_185	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_185	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_185	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_185	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_185	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_185	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_185	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_185	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_185	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_185	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_185	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_185	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_185	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_185	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_185	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_185	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_185	Cl[Hg]c1ccccc1	C100561
PUBCHEM_185	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_185	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_185	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_185	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_185	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_185	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_185	O=[As]c1ccccc1	C637036
PUBCHEM_185	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_185	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_185	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_185	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_185	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_185	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_185	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_185	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_185	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_185	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_185	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_185	O=CN1CCCCC1	C2591868
PUBCHEM_185	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_185	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_185	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_185	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_185	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_185	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_185	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_185	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_185	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_185	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_185	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_185	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_185	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_185	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_185	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_185	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_185	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_185	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_185	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_185	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_185	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_185	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_185	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_185	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_185	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_185	Nc1cccc(C)n1	C1824813
PUBCHEM_185	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_185	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_185	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_185	CC1COc2ccccc2N1	C32329207
PUBCHEM_185	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_185	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_185	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_185	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_185	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_185	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_185	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_185	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_185	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_185	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_185	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_185	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_185	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_185	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_185	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_185	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_185	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_185	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_185	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_185	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_185	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_185	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_185	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_185	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_185	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_185	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_185	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_185	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_185	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_185	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_185	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_185	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_185	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_185	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_185	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_185	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_186	Nc1ccccc1.Cl	C142041
PUBCHEM_186	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_186	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_186	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_186	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_186	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_186	CC(=O)OCc1ccccc1	C140114
PUBCHEM_186	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_186	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_186	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_186	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_186	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_186	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_186	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_186	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_186	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_186	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_186	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_186	O=C1CCCCC1	C108941
PUBCHEM_186	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_186	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_186	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_186	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_186	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_186	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_186	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_186	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_186	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_186	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_186	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_186	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_186	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_186	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_186	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_186	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_186	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_186	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_186	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_186	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_186	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_186	c1cccc2[nH]ccc12	C120729
PUBCHEM_186	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_186	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_186	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_186	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_186	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_186	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_186	COc1ccc(cc1)O	C150765
PUBCHEM_186	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_186	C=Cc1ccc(cc1)C	C622979
PUBCHEM_186	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_186	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_186	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_186	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_186	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_186	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_186	Nc1ccc(cc1)N	C106503
PUBCHEM_186	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_186	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_186	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_186	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_186	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_186	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_186	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_186	Nc1ccccc1C.Cl	C636215
PUBCHEM_186	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_186	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_186	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_186	O=CCc1ccccc1	C122781
PUBCHEM_186	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_186	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_186	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_186	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_186	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_186	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_186	O=Cc1ccccc1O	C90028
PUBCHEM_186	Oc1cccc2ccccc12	C90153
PUBCHEM_186	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_186	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_186	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_186	ON=C1CCCCC1	C100641
PUBCHEM_186	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_186	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_186	Oc1ccc(Cl)cc1	C106489
PUBCHEM_186	C1CCCCC1O	C108930
PUBCHEM_186	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_186	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_186	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_186	Oc1ccc(CC)cc1	C123079
PUBCHEM_186	COc1ccc(OC)cc1	C150787
PUBCHEM_186	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_186	Oc1ccc(CCC)cc1	C645567
PUBCHEM_186	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_186	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_186	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_186	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_186	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_186	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_186	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_186	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_186	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_186	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_186	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_186	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_186	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_186	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_186	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_186	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_186	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_186	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_186	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_186	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_186	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_186	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_186	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_186	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_186	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_186	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_186	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_186	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_186	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_186	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_186	c1(c(CC)cccc1)O	C90006
PUBCHEM_186	c1c(O)cccc1CC	C620177
PUBCHEM_186	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_186	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_186	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_186	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_186	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_186	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_186	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_186	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_186	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_186	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_186	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_186	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_186	c1cccc(OC)c1O	C90051
PUBCHEM_186	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_186	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_186	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_186	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_186	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_186	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_186	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_186	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_186	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_186	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_186	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_186	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_186	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_186	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_186	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_186	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_186	Cc1cc(O)ccc1	C108394
PUBCHEM_186	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_186	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_186	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_186	c1ccc2ncsc2c1	C95169
PUBCHEM_186	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_186	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_186	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_186	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_186	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_186	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_186	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_186	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_186	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_186	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_186	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_186	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_186	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_186	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_186	Cc1c(C)cccc1O	C526750
PUBCHEM_186	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_186	C=Cc1ccccc1C=C	C1321740
PUBCHEM_186	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_186	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_186	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_186	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_186	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_186	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_186	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_186	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_186	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_186	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_186	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_186	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_186	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_186	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_186	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_186	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_186	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_186	c12ccccc1CCCC2	C119642
PUBCHEM_186	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_186	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_186	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_186	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_186	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_186	Cc1cccc(C)c1	C108383
PUBCHEM_186	OCCc1ccccc1	C60128
PUBCHEM_186	O=C(O)c1ccccc1O	C69727
PUBCHEM_186	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_186	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_186	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_186	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_186	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_186	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_186	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_186	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_186	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_186	Sc1ccccc1	C108985
PUBCHEM_186	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_186	Oc1ccc2ccccc2c1	C135193
PUBCHEM_186	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_186	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_186	Brc1ccc(F)cc1	C460004
PUBCHEM_186	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_186	ClP(c1ccccc1)Cl	C644973
PUBCHEM_186	OC(C)COc1ccccc1	C770354
PUBCHEM_186	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_186	Nc1cccc(C)c1C	C1300738
PUBCHEM_186	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_186	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_186	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_186	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_186	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_186	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_186	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_186	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_186	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_186	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_186	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_186	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_186	Nc1c(C)cccc1CC	C24549062
PUBCHEM_186	Clc1cccc(C)c1	C25168052
PUBCHEM_186	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_186	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_186	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_186	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_186	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_186	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_186	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_186	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_186	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_186	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_186	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_186	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_186	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_186	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_186	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_186	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_186	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_186	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_186	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_186	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_186	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_186	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_186	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_186	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_186	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_186	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_186	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_186	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_186	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_186	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_186	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_186	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_186	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_186	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_186	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_186	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_186	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_186	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_186	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_186	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_186	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_186	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_186	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_186	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_186	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_186	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_186	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_186	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_186	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_186	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_186	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_186	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_186	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_186	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_186	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_186	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_186	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_186	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_186	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_186	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_186	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_186	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_186	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_186	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_186	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_186	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_186	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_186	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_186	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_186	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_186	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_186	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_186	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_186	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_186	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_186	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_186	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_186	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_186	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_186	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_186	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_186	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_186	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_186	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_186	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_186	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_186	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_186	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_186	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_186	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_186	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_186	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_186	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_186	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_186	O=C(c1ccccc1O)C	C118934
PUBCHEM_186	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_186	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_186	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_186	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_186	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_186	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_186	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_186	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_186	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_186	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_186	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_186	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_186	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_186	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_186	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_186	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_186	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_186	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_186	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_186	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_186	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_186	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_186	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_186	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_186	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_186	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_186	Oc1ccccc1CN(C)C	C120650
PUBCHEM_186	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_186	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_186	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_186	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_186	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_186	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_186	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_186	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_186	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_186	OCC=Cc1ccccc1	C104541
PUBCHEM_186	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_186	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_186	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_186	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_186	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_186	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_186	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_186	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_186	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_186	N#Cc1c(O)cccc1	C611201
PUBCHEM_186	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_186	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_186	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_186	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_186	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_186	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_186	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_186	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_186	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_186	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_186	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_186	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_186	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_186	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_186	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_186	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_186	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_186	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_186	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_186	c12ccccc1CC=C2	C95136
PUBCHEM_186	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_186	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_186	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_186	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_186	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_186	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_186	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_186	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_186	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_186	Oc1c(OCC)cccc1	C94713
PUBCHEM_186	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_186	COc1ccc(CCC)cc1	C104450
PUBCHEM_186	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_186	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_186	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_186	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_186	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_186	OC(CO)c1ccccc1	C93561
PUBCHEM_186	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_186	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_186	O=C(N)Nc1ccccc1	C64108
PUBCHEM_186	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_186	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_186	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_186	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_186	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_186	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_186	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_186	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_186	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_186	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_186	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_186	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_186	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_186	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_186	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_186	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_186	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_186	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_186	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_186	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_186	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_186	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_186	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_186	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_186	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_186	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_186	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_186	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_186	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_186	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_186	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_186	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_186	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_186	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_186	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_186	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_186	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_186	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_186	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_186	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_186	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_186	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_186	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_186	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_186	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_186	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_186	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_186	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_186	Sc1ccc(C)cc1	C106456
PUBCHEM_186	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_186	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_186	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_186	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_186	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_186	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_186	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_186	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_186	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_186	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_186	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_186	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_186	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_186	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_186	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_186	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_186	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_186	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_186	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_186	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_186	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_186	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_186	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_186	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_186	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_186	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_186	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_186	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_186	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_186	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_186	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_186	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_186	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_186	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_186	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_186	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_186	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_186	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_186	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_186	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_186	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_186	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_186	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_186	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_186	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_186	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_186	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_186	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_186	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_186	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_186	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_186	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_186	c1ccccc1OCCO	C122996
PUBCHEM_186	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_186	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_186	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_186	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_186	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_186	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_186	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_186	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_186	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_186	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_186	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_186	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_186	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_186	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_186	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_186	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_186	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_186	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_186	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_186	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_186	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_186	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_186	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_186	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_186	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_186	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_186	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_186	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_186	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_186	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_186	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_186	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_186	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_186	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_186	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_186	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_186	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_186	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_186	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_186	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_186	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_186	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_186	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_186	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_186	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_186	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_186	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_186	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_186	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_186	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_186	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_186	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_186	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_186	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_186	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_186	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_186	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_186	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_186	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_186	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_186	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_186	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_186	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_186	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_186	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_186	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_186	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_186	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_186	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_186	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_186	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_186	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_186	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_186	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_186	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_186	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_186	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_186	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_186	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_186	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_186	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_186	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_186	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_186	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_186	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_186	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_186	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_186	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_186	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_186	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_186	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_186	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_186	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_186	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_186	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_186	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_186	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_186	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_186	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_186	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_186	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_186	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_186	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_186	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_186	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_186	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_186	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_186	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_186	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_186	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_186	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_186	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_186	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_186	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_186	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_186	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_186	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_186	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_186	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_186	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_186	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_186	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_186	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_186	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_186	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_186	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_186	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_186	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_186	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_186	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_186	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_186	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_186	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_186	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_186	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_186	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_186	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_186	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_186	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_186	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_186	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_186	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_186	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_186	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_186	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_186	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_186	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_186	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_186	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_186	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_186	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_186	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_186	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_186	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_186	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_186	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_186	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_186	c1coc2c1cccc2	C271896
PUBCHEM_186	OC(=O)c1ccccc1	C65850
PUBCHEM_186	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_186	OCc1ccccc1	C100516
PUBCHEM_186	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_186	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_186	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_186	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_186	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_186	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_186	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_186	Oc1c(cccc1)O	C120809
PUBCHEM_186	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_186	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_186	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_186	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_186	O=C(c1ccccc1)CCl	C532274
PUBCHEM_186	Nc1ccc(cc1)Cl	C106478
PUBCHEM_186	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_186	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_186	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_186	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_186	Nc1cc(ccc1OC)C	C120718
PUBCHEM_186	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_186	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_186	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_186	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_186	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_186	Clc1c(cccc1)Cl	C95501
PUBCHEM_186	Clc1ccc(cc1)Cl	C106467
PUBCHEM_186	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_186	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_186	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_186	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_186	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_186	CN(c1ccccc1)C	C121697
PUBCHEM_186	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_186	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_186	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_186	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_186	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_186	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_186	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_186	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_186	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_186	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_186	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_186	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_186	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_186	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_186	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_186	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_186	Oc1ccc(cc1)O	C123319
PUBCHEM_186	Oc1cccc2cccnc12	C148243
PUBCHEM_186	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_186	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_186	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_186	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_186	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_186	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_186	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_186	Cc1cc2cccnc2cc1	C91623
PUBCHEM_186	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_186	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_186	c1c2c(ccc1)cccc2	C91203
PUBCHEM_186	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_186	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_186	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_186	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_186	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_186	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_186	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_186	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_186	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_186	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_186	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_186	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_186	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_186	Oc1ccccc1	C108952
PUBCHEM_186	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_186	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_186	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_186	Nc1cc(ccc1)N	C108452
PUBCHEM_186	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_186	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_186	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_186	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_186	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_186	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_186	Oc1cc(ccc1)O	C108463
PUBCHEM_186	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_186	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_186	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_186	C1C(c2ccccc2)O1	C96093
PUBCHEM_186	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_186	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_186	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_186	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_186	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_186	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_186	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_186	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_186	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_186	Oc1ccccc1Cl	C95578
PUBCHEM_186	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_186	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_186	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_186	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_186	n1cccc2c1cccc2	C91225
PUBCHEM_186	CCN(CC)c1ccccc1	C91667
PUBCHEM_186	Oc1c(C)cccc1	C95487
PUBCHEM_186	c1ccccc1C(=O)C	C98862
PUBCHEM_186	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_186	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_186	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_186	CCNc1cc(C)ccc1	C102272
PUBCHEM_186	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_186	Oc1ccc(C)cc1	C106445
PUBCHEM_186	Nc1ccc(C)cc1	C106490
PUBCHEM_186	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_186	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_186	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_186	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_186	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_186	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_186	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_186	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_186	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_186	Clc1cc(Cl)ccc1	C541731
PUBCHEM_186	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_186	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_186	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_186	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_186	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_186	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_186	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_186	c1(CCCC)ccccc1	C104518
PUBCHEM_186	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_186	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_186	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_186	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_186	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_186	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_186	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_186	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_186	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_186	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_186	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_186	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_186	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_186	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_186	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_186	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_186	Nc1c(OC)cccc1	C90040
PUBCHEM_186	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_186	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_186	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_186	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_186	Cc1ccccc1Cl	C95498
PUBCHEM_186	NC1CCCCC1	C108918
PUBCHEM_186	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_186	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_186	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_186	Oc1c(cccc1C)C	C576261
PUBCHEM_186	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_186	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_186	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_186	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_186	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_186	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_186	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_186	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_186	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_186	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_186	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_186	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_186	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_186	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_186	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_186	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_186	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_186	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_186	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_186	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_186	Cc1ccc(Cl)cc1	C106434
PUBCHEM_186	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_186	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_186	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_186	Nc1cc(C)ccc1N	C496720
PUBCHEM_186	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_186	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_186	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_186	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_186	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_186	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_186	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_186	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_186	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_186	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_186	N(c1ccccc1)CC	C103695
PUBCHEM_186	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_186	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_186	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_186	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_186	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_186	Nc1c(N)cccc1	C95545
PUBCHEM_186	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_186	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_186	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_186	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_186	Nc1c(cccc1)C	C95534
PUBCHEM_186	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_186	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_186	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_186	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_186	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_186	Nc1c(cccc1C)C	C87627
PUBCHEM_186	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_186	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_186	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_186	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_186	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_186	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_186	Nc1cccc(C)c1	C108441
PUBCHEM_186	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_186	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_186	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_186	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_186	Nc1c(CC)cccc1CC	C579668
PUBCHEM_186	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_186	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_186	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_186	Nc1cccc(C)c1N	C2687254
PUBCHEM_186	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_186	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_186	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_186	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_186	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_186	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_186	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_186	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_186	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_186	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_186	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_186	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_186	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_186	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_186	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_186	O=Cc1ccccc1C=O	C643798
PUBCHEM_186	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_186	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_186	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_186	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_186	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_186	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_186	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_186	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_186	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_186	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_186	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_186	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_186	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_186	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_186	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_186	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_186	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_186	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_186	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_186	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_186	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_186	CCCc1ccccc1	C103651
PUBCHEM_186	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_186	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_186	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_186	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_186	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_186	CC(C)(C)c1ccccc1	C98066
PUBCHEM_186	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_186	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_186	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_186	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_186	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_186	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_186	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_186	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_186	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_186	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_186	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_186	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_186	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_186	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_186	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_186	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_186	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_186	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_186	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_186	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_186	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_186	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_186	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_186	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_186	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_186	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_186	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_186	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_186	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_186	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_186	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_186	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_186	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_186	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_186	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_186	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_186	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_186	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_186	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_186	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_186	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_186	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_186	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_186	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_186	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_186	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_186	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_186	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_186	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_186	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_186	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_186	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_186	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_186	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_186	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_186	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_186	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_186	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_186	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_186	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_186	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_186	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_186	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_186	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_186	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_186	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_186	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_186	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_186	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_186	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_186	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_186	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_186	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_186	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_186	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_186	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_186	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_186	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_186	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_186	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_186	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_186	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_186	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_186	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_186	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_186	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_186	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_186	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_186	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_186	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_186	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_186	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_186	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_186	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_186	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_186	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_186	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_186	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_186	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_186	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_186	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_186	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_186	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_186	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_186	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_186	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_186	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_186	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_186	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_186	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_186	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_186	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_186	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_186	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_186	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_186	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_186	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_186	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_186	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_186	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_186	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_186	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_186	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_186	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_186	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_186	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_186	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_186	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_186	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_186	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_186	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_186	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_186	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_186	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_186	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_186	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_186	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_186	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_186	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_186	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_186	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_186	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_186	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_186	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_186	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_186	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_186	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_186	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_186	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_186	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_186	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_186	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_186	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_186	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_186	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_186	O=C(OCC)c1ccccc1	C93890
PUBCHEM_186	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_186	NCc1cccc(CN)c1	C1477550
PUBCHEM_186	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_186	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_186	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_186	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_186	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_186	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_186	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_186	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_186	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_186	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_186	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_186	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_186	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_186	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_186	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_186	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_186	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_186	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_186	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_186	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_186	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_186	NNc1ccccc1.Cl	C59881
PUBCHEM_186	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_186	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_186	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_186	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_186	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_186	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_186	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_186	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_186	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_186	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_186	N#Cc1ccccc1	C100470
PUBCHEM_186	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_186	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_186	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_186	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_186	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_186	Nc1ccc(Br)cc1	C106401
PUBCHEM_186	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_186	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_186	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_186	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_186	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_186	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_186	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_186	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_186	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_186	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_186	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_186	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_186	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_186	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_186	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_186	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_186	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_186	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_186	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_186	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_186	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_186	Nc1ccc(OC)cc1	C104949
PUBCHEM_186	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_186	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_186	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_186	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_186	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_186	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_186	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_186	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_186	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_186	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_186	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_186	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_186	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_186	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_186	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_186	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_186	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_186	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_186	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_186	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_186	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_186	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_186	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_186	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_186	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_186	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_186	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_186	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_186	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_186	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_186	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_186	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_186	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_186	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_186	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_186	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_186	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_186	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_186	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_186	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_186	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_186	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_186	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_186	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_186	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_186	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_186	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_186	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_186	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_186	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_186	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_186	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_186	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_186	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_186	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_186	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_186	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_186	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_186	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_186	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_186	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_186	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_186	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_186	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_186	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_186	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_186	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_186	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_186	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_186	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_186	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_186	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_186	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_186	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_186	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_186	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_186	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_186	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_186	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_186	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_186	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_186	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_186	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_186	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_186	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_186	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_186	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_186	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_186	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_186	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_186	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_186	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_186	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_186	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_186	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_186	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_186	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_186	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_186	Cl[Hg]c1ccccc1	C100561
PUBCHEM_186	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_186	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_186	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_186	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_186	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_186	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_186	O=[As]c1ccccc1	C637036
PUBCHEM_186	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_186	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_186	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_186	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_186	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_186	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_186	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_186	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_186	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_186	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_186	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_186	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_186	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_186	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_186	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_186	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_186	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_186	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_186	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_186	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_186	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_186	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_186	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_186	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_186	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_186	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_186	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_186	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_186	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_186	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_186	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_186	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_186	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_186	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_186	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_186	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_186	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_186	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_186	CC1COc2ccccc2N1	C32329207
PUBCHEM_186	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_186	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_186	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_186	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_186	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_186	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_186	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_186	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_186	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_186	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_186	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_186	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_186	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_186	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_186	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_186	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_186	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_186	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_186	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_186	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_186	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_186	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_186	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_186	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_186	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_186	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_186	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_186	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_186	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_186	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_186	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_187	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_187	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_187	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_187	NC(=O)c1cccnc1	C98920
PUBCHEM_187	OC(=O)c1cccnc1	C59676
PUBCHEM_187	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_187	OCCN1CCNCC1	C103764
PUBCHEM_187	NCCN1CCNCC1	C140318
PUBCHEM_187	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_187	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_187	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_187	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_187	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_187	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_187	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_187	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_187	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_187	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_187	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_187	C1COCCN1	C110918
PUBCHEM_187	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_187	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_187	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_187	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_187	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_187	CN1CCOCC1	C109024
PUBCHEM_187	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_187	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_187	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_187	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_187	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_187	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_187	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_187	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_187	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_187	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_187	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_187	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_187	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_187	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_187	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_187	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_187	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_187	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_187	NCCCN1CCOCC1	C123002
PUBCHEM_187	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_187	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_187	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_187	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_187	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_187	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_187	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_187	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_187	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_187	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_187	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_187	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_187	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_187	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_187	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_187	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_187	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_187	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_187	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_187	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_187	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_187	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_187	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_187	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_187	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_187	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_187	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_187	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_187	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_187	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_187	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_187	CN1CN(C)CSC1=S	C533744
PUBCHEM_187	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_187	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_187	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_187	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_187	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_187	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_187	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_187	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_187	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_187	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_187	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_187	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_187	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_187	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_187	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_187	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_187	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_187	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_187	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_187	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_187	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_187	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_187	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_187	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_187	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_187	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_187	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_187	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_187	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_187	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_187	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_187	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_187	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_187	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_187	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_187	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_187	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_187	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_187	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_187	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_187	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_187	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_187	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_187	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_187	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_187	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_187	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_187	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_187	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_187	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_187	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_187	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_187	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_187	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_187	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_187	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_187	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_187	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_187	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_187	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_187	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_187	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_187	Oc1cccc2cccnc12	C148243
PUBCHEM_187	O=C(c1ccncc1)NN	C54853
PUBCHEM_187	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_187	Cc1cc2cccnc2cc1	C91623
PUBCHEM_187	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_187	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_187	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_187	C1CNCCN1	C110850
PUBCHEM_187	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_187	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_187	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_187	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_187	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_187	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_187	n1cccc2c1cccc2	C91225
PUBCHEM_187	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_187	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_187	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_187	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_187	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_187	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_187	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_187	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_187	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_187	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_187	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_187	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_187	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_187	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_187	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_187	N#Cc1cnccc1	C100549
PUBCHEM_187	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_187	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_187	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_187	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_187	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_187	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_187	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_187	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_187	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_187	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_187	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_187	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_187	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_187	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_187	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_187	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_187	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_187	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_187	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_187	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_187	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_187	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_187	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_187	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_187	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_187	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_187	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_187	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_187	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_187	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_187	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_187	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_187	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_187	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_187	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_187	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_187	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_187	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_187	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_187	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_187	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_187	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_187	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_187	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_187	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_187	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_187	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_187	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_187	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_187	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_187	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_187	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_187	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_187	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_187	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_187	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_187	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_187	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_187	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_187	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_187	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_187	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_187	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_187	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_187	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_187	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_187	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_187	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_187	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_187	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_187	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_187	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_187	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_187	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_187	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_187	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_187	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_187	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_187	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_187	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_187	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_187	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_187	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_187	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_187	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_187	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_187	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_187	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_187	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_187	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_187	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_187	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_187	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_187	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_187	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_187	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_187	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_187	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_187	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_187	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_187	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_187	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_187	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_187	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_187	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_187	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_187	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_187	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_187	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_187	n1cc(C)ccc1	C108996
PUBCHEM_187	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_187	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_187	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_187	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_187	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_187	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_187	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_187	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_187	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_187	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_187	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_187	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_187	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_187	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_187	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_187	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_187	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_187	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_187	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_187	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_187	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_187	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_187	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_187	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_187	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_187	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_187	O=CN1CCCCC1	C2591868
PUBCHEM_187	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_187	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_187	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_187	Nc1cccc(C)n1	C1824813
PUBCHEM_187	CC1COc2ccccc2N1	C32329207
PUBCHEM_187	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_187	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_187	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_187	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_187	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_187	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_187	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_188	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_188	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_188	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_188	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_188	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_188	NC(=O)c1cccnc1	C98920
PUBCHEM_188	OC(=O)c1cccnc1	C59676
PUBCHEM_188	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_188	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_188	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_188	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_188	OCCN1CCNCC1	C103764
PUBCHEM_188	NCCN1CCNCC1	C140318
PUBCHEM_188	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_188	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_188	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_188	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_188	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_188	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_188	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_188	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_188	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_188	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_188	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_188	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_188	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_188	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_188	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_188	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_188	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_188	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_188	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_188	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_188	C1COCCN1	C110918
PUBCHEM_188	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_188	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_188	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_188	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_188	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_188	CN1CCOCC1	C109024
PUBCHEM_188	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_188	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_188	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_188	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_188	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_188	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_188	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_188	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_188	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_188	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_188	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_188	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_188	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_188	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_188	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_188	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_188	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_188	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_188	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_188	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_188	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_188	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_188	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_188	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_188	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_188	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_188	NCCCN1CCOCC1	C123002
PUBCHEM_188	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_188	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_188	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_188	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_188	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_188	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_188	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_188	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_188	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_188	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_188	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_188	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_188	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_188	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_188	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_188	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_188	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_188	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_188	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_188	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_188	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_188	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_188	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_188	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_188	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_188	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_188	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_188	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_188	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_188	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_188	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_188	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_188	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_188	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_188	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_188	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_188	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_188	CN1CN(C)CSC1=S	C533744
PUBCHEM_188	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_188	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_188	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_188	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_188	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_188	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_188	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_188	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_188	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_188	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_188	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_188	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_188	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_188	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_188	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_188	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_188	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_188	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_188	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_188	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_188	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_188	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_188	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_188	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_188	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_188	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_188	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_188	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_188	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_188	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_188	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_188	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_188	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_188	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_188	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_188	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_188	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_188	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_188	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_188	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_188	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_188	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_188	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_188	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_188	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_188	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_188	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_188	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_188	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_188	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_188	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_188	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_188	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_188	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_188	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_188	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_188	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_188	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_188	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_188	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_188	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_188	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_188	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_188	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_188	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_188	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_188	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_188	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_188	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_188	Oc1cccc2cccnc12	C148243
PUBCHEM_188	O=C(c1ccncc1)NN	C54853
PUBCHEM_188	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_188	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_188	Cc1cc2cccnc2cc1	C91623
PUBCHEM_188	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_188	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_188	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_188	C1CNCCN1	C110850
PUBCHEM_188	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_188	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_188	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_188	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_188	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_188	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_188	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_188	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_188	n1cccc2c1cccc2	C91225
PUBCHEM_188	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_188	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_188	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_188	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_188	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_188	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_188	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_188	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_188	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_188	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_188	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_188	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_188	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_188	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_188	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_188	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_188	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_188	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_188	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_188	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_188	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_188	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_188	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_188	N#Cc1cnccc1	C100549
PUBCHEM_188	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_188	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_188	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_188	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_188	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_188	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_188	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_188	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_188	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_188	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_188	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_188	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_188	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_188	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_188	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_188	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_188	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_188	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_188	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_188	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_188	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_188	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_188	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_188	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_188	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_188	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_188	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_188	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_188	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_188	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_188	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_188	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_188	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_188	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_188	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_188	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_188	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_188	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_188	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_188	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_188	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_188	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_188	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_188	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_188	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_188	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_188	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_188	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_188	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_188	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_188	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_188	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_188	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_188	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_188	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_188	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_188	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_188	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_188	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_188	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_188	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_188	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_188	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_188	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_188	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_188	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_188	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_188	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_188	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_188	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_188	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_188	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_188	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_188	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_188	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_188	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_188	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_188	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_188	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_188	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_188	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_188	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_188	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_188	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_188	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_188	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_188	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_188	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_188	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_188	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_188	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_188	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_188	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_188	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_188	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_188	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_188	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_188	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_188	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_188	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_188	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_188	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_188	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_188	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_188	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_188	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_188	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_188	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_188	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_188	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_188	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_188	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_188	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_188	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_188	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_188	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_188	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_188	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_188	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_188	n1cc(C)ccc1	C108996
PUBCHEM_188	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_188	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_188	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_188	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_188	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_188	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_188	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_188	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_188	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_188	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_188	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_188	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_188	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_188	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_188	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_188	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_188	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_188	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_188	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_188	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_188	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_188	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_188	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_188	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_188	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_188	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_188	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_188	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_188	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_188	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_188	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_188	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_188	O=CN1CCCCC1	C2591868
PUBCHEM_188	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_188	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_188	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_188	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_188	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_188	Nc1cccc(C)n1	C1824813
PUBCHEM_188	CC1COc2ccccc2N1	C32329207
PUBCHEM_188	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_188	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_188	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_188	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_188	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_188	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_188	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_188	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_192	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_192	Nc1ccccc1.Cl	C142041
PUBCHEM_192	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_192	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_192	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_192	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_192	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_192	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_192	CC(=O)OCc1ccccc1	C140114
PUBCHEM_192	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_192	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_192	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_192	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_192	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_192	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_192	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_192	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_192	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_192	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_192	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_192	O=C1CCCCC1	C108941
PUBCHEM_192	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_192	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_192	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_192	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_192	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_192	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_192	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_192	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_192	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_192	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_192	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_192	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_192	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_192	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_192	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_192	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_192	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_192	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_192	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_192	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_192	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_192	c1cccc2[nH]ccc12	C120729
PUBCHEM_192	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_192	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_192	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_192	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_192	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_192	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_192	COc1ccc(cc1)O	C150765
PUBCHEM_192	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_192	C=Cc1ccc(cc1)C	C622979
PUBCHEM_192	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_192	NC(=O)c1cccnc1	C98920
PUBCHEM_192	OC(=O)c1cccnc1	C59676
PUBCHEM_192	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_192	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_192	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_192	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_192	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_192	Nc1ccc(cc1)N	C106503
PUBCHEM_192	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_192	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_192	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_192	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_192	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_192	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_192	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_192	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_192	Nc1ccccc1C.Cl	C636215
PUBCHEM_192	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_192	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_192	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_192	O=CCc1ccccc1	C122781
PUBCHEM_192	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_192	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_192	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_192	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_192	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_192	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_192	O=Cc1ccccc1O	C90028
PUBCHEM_192	Oc1cccc2ccccc12	C90153
PUBCHEM_192	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_192	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_192	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_192	ON=C1CCCCC1	C100641
PUBCHEM_192	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_192	OCCN1CCNCC1	C103764
PUBCHEM_192	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_192	Oc1ccc(Cl)cc1	C106489
PUBCHEM_192	C1CCCCC1O	C108930
PUBCHEM_192	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_192	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_192	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_192	Oc1ccc(CC)cc1	C123079
PUBCHEM_192	NCCN1CCNCC1	C140318
PUBCHEM_192	COc1ccc(OC)cc1	C150787
PUBCHEM_192	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_192	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_192	Oc1ccc(CCC)cc1	C645567
PUBCHEM_192	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_192	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_192	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_192	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_192	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_192	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_192	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_192	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_192	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_192	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_192	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_192	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_192	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_192	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_192	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_192	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_192	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_192	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_192	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_192	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_192	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_192	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_192	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_192	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_192	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_192	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_192	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_192	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_192	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_192	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_192	c1(c(CC)cccc1)O	C90006
PUBCHEM_192	c1c(O)cccc1CC	C620177
PUBCHEM_192	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_192	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_192	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_192	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_192	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_192	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_192	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_192	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_192	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_192	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_192	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_192	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_192	c1cccc(OC)c1O	C90051
PUBCHEM_192	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_192	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_192	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_192	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_192	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_192	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_192	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_192	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_192	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_192	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_192	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_192	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_192	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_192	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_192	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_192	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_192	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_192	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_192	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_192	Cc1cc(O)ccc1	C108394
PUBCHEM_192	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_192	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_192	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_192	c1ccc2ncsc2c1	C95169
PUBCHEM_192	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_192	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_192	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_192	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_192	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_192	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_192	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_192	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_192	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_192	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_192	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_192	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_192	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_192	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_192	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_192	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_192	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_192	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_192	Cc1c(C)cccc1O	C526750
PUBCHEM_192	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_192	C=Cc1ccccc1C=C	C1321740
PUBCHEM_192	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_192	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_192	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_192	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_192	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_192	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_192	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_192	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_192	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_192	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_192	C1COCCN1	C110918
PUBCHEM_192	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_192	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_192	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_192	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_192	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_192	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_192	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_192	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_192	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_192	c12ccccc1CCCC2	C119642
PUBCHEM_192	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_192	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_192	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_192	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_192	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_192	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_192	Cc1cccc(C)c1	C108383
PUBCHEM_192	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_192	OCCc1ccccc1	C60128
PUBCHEM_192	O=C(O)c1ccccc1O	C69727
PUBCHEM_192	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_192	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_192	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_192	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_192	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_192	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_192	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_192	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_192	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_192	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_192	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_192	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_192	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_192	Sc1ccccc1	C108985
PUBCHEM_192	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_192	Oc1ccc2ccccc2c1	C135193
PUBCHEM_192	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_192	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_192	Brc1ccc(F)cc1	C460004
PUBCHEM_192	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_192	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_192	ClP(c1ccccc1)Cl	C644973
PUBCHEM_192	OC(C)COc1ccccc1	C770354
PUBCHEM_192	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_192	Nc1cccc(C)c1C	C1300738
PUBCHEM_192	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_192	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_192	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_192	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_192	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_192	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_192	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_192	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_192	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_192	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_192	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_192	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_192	Nc1c(C)cccc1CC	C24549062
PUBCHEM_192	Clc1cccc(C)c1	C25168052
PUBCHEM_192	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_192	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_192	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_192	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_192	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_192	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_192	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_192	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_192	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_192	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_192	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_192	CN1CCOCC1	C109024
PUBCHEM_192	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_192	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_192	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_192	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_192	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_192	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_192	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_192	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_192	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_192	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_192	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_192	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_192	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_192	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_192	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_192	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_192	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_192	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_192	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_192	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_192	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_192	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_192	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_192	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_192	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_192	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_192	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_192	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_192	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_192	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_192	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_192	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_192	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_192	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_192	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_192	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_192	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_192	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_192	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_192	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_192	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_192	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_192	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_192	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_192	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_192	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_192	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_192	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_192	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_192	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_192	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_192	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_192	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_192	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_192	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_192	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_192	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_192	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_192	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_192	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_192	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_192	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_192	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_192	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_192	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_192	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_192	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_192	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_192	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_192	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_192	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_192	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_192	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_192	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_192	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_192	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_192	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_192	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_192	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_192	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_192	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_192	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_192	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_192	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_192	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_192	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_192	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_192	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_192	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_192	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_192	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_192	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_192	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_192	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_192	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_192	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_192	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_192	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_192	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_192	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_192	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_192	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_192	O=C(c1ccccc1O)C	C118934
PUBCHEM_192	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_192	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_192	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_192	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_192	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_192	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_192	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_192	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_192	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_192	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_192	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_192	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_192	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_192	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_192	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_192	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_192	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_192	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_192	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_192	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_192	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_192	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_192	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_192	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_192	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_192	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_192	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_192	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_192	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_192	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_192	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_192	Oc1ccccc1CN(C)C	C120650
PUBCHEM_192	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_192	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_192	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_192	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_192	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_192	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_192	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_192	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_192	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_192	O1C=CCCC1	C110872
PUBCHEM_192	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_192	OCC=Cc1ccccc1	C104541
PUBCHEM_192	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_192	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_192	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_192	NCCCN1CCOCC1	C123002
PUBCHEM_192	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_192	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_192	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_192	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_192	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_192	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_192	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_192	N#Cc1c(O)cccc1	C611201
PUBCHEM_192	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_192	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_192	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_192	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_192	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_192	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_192	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_192	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_192	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_192	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_192	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_192	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_192	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_192	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_192	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_192	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_192	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_192	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_192	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_192	c12ccccc1CC=C2	C95136
PUBCHEM_192	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_192	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_192	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_192	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_192	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_192	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_192	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_192	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_192	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_192	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_192	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_192	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_192	Oc1c(OCC)cccc1	C94713
PUBCHEM_192	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_192	COc1ccc(CCC)cc1	C104450
PUBCHEM_192	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_192	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_192	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_192	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_192	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_192	OC(CO)c1ccccc1	C93561
PUBCHEM_192	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_192	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_192	O=C(N)Nc1ccccc1	C64108
PUBCHEM_192	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_192	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_192	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_192	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_192	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_192	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_192	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_192	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_192	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_192	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_192	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_192	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_192	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_192	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_192	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_192	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_192	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_192	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_192	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_192	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_192	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_192	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_192	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_192	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_192	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_192	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_192	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_192	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_192	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_192	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_192	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_192	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_192	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_192	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_192	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_192	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_192	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_192	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_192	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_192	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_192	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_192	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_192	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_192	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_192	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_192	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_192	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_192	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_192	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_192	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_192	Sc1ccc(C)cc1	C106456
PUBCHEM_192	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_192	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_192	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_192	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_192	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_192	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_192	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_192	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_192	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_192	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_192	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_192	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_192	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_192	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_192	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_192	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_192	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_192	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_192	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_192	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_192	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_192	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_192	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_192	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_192	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_192	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_192	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_192	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_192	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_192	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_192	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_192	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_192	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_192	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_192	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_192	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_192	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_192	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_192	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_192	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_192	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_192	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_192	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_192	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_192	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_192	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_192	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_192	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_192	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_192	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_192	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_192	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_192	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_192	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_192	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_192	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_192	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_192	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_192	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_192	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_192	c1ccccc1OCCO	C122996
PUBCHEM_192	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_192	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_192	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_192	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_192	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_192	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_192	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_192	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_192	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_192	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_192	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_192	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_192	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_192	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_192	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_192	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_192	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_192	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_192	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_192	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_192	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_192	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_192	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_192	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_192	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_192	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_192	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_192	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_192	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_192	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_192	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_192	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_192	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_192	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_192	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_192	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_192	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_192	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_192	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_192	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_192	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_192	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_192	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_192	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_192	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_192	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_192	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_192	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_192	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_192	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_192	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_192	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_192	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_192	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_192	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_192	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_192	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_192	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_192	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_192	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_192	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_192	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_192	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_192	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_192	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_192	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_192	CN1CN(C)CSC1=S	C533744
PUBCHEM_192	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_192	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_192	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_192	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_192	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_192	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_192	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_192	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_192	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_192	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_192	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_192	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_192	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_192	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_192	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_192	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_192	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_192	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_192	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_192	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_192	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_192	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_192	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_192	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_192	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_192	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_192	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_192	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_192	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_192	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_192	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_192	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_192	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_192	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_192	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_192	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_192	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_192	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_192	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_192	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_192	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_192	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_192	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_192	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_192	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_192	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_192	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_192	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_192	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_192	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_192	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_192	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_192	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_192	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_192	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_192	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_192	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_192	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_192	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_192	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_192	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_192	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_192	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_192	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_192	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_192	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_192	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_192	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_192	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_192	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_192	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_192	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_192	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_192	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_192	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_192	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_192	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_192	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_192	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_192	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_192	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_192	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_192	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_192	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_192	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_192	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_192	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_192	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_192	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_192	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_192	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_192	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_192	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_192	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_192	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_192	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_192	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_192	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_192	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_192	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_192	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_192	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_192	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_192	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_192	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_192	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_192	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_192	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_192	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_192	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_192	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_192	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_192	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_192	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_192	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_192	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_192	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_192	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_192	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_192	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_192	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_192	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_192	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_192	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_192	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_192	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_192	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_192	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_192	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_192	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_192	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_192	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_192	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_192	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_192	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_192	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_192	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_192	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_192	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_192	c1coc2c1cccc2	C271896
PUBCHEM_192	OC(=O)c1ccccc1	C65850
PUBCHEM_192	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_192	OCc1ccccc1	C100516
PUBCHEM_192	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_192	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_192	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_192	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_192	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_192	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_192	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_192	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_192	Oc1c(cccc1)O	C120809
PUBCHEM_192	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_192	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_192	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_192	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_192	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_192	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_192	O=C(c1ccccc1)CCl	C532274
PUBCHEM_192	Nc1ccc(cc1)Cl	C106478
PUBCHEM_192	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_192	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_192	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_192	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_192	Nc1cc(ccc1OC)C	C120718
PUBCHEM_192	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_192	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_192	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_192	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_192	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_192	Clc1c(cccc1)Cl	C95501
PUBCHEM_192	Clc1ccc(cc1)Cl	C106467
PUBCHEM_192	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_192	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_192	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_192	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_192	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_192	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_192	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_192	CN(c1ccccc1)C	C121697
PUBCHEM_192	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_192	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_192	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_192	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_192	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_192	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_192	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_192	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_192	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_192	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_192	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_192	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_192	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_192	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_192	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_192	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_192	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_192	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_192	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_192	Oc1ccc(cc1)O	C123319
PUBCHEM_192	Oc1cccc2cccnc12	C148243
PUBCHEM_192	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_192	O=C(c1ccncc1)NN	C54853
PUBCHEM_192	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_192	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_192	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_192	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_192	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_192	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_192	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_192	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_192	Cc1cc2cccnc2cc1	C91623
PUBCHEM_192	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_192	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_192	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_192	c1c2c(ccc1)cccc2	C91203
PUBCHEM_192	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_192	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_192	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_192	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_192	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_192	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_192	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_192	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_192	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_192	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_192	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_192	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_192	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_192	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_192	Oc1ccccc1	C108952
PUBCHEM_192	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_192	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_192	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_192	Nc1cc(ccc1)N	C108452
PUBCHEM_192	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_192	C1CNCCN1	C110850
PUBCHEM_192	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_192	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_192	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_192	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_192	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_192	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_192	Oc1cc(ccc1)O	C108463
PUBCHEM_192	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_192	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_192	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_192	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_192	C1C(c2ccccc2)O1	C96093
PUBCHEM_192	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_192	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_192	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_192	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_192	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_192	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_192	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_192	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_192	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_192	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_192	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_192	Oc1ccccc1Cl	C95578
PUBCHEM_192	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_192	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_192	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_192	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_192	n1cccc2c1cccc2	C91225
PUBCHEM_192	CCN(CC)c1ccccc1	C91667
PUBCHEM_192	Oc1c(C)cccc1	C95487
PUBCHEM_192	c1ccccc1C(=O)C	C98862
PUBCHEM_192	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_192	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_192	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_192	CCNc1cc(C)ccc1	C102272
PUBCHEM_192	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_192	Oc1ccc(C)cc1	C106445
PUBCHEM_192	Nc1ccc(C)cc1	C106490
PUBCHEM_192	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_192	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_192	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_192	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_192	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_192	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_192	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_192	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_192	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_192	Clc1cc(Cl)ccc1	C541731
PUBCHEM_192	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_192	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_192	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_192	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_192	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_192	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_192	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_192	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_192	c1(CCCC)ccccc1	C104518
PUBCHEM_192	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_192	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_192	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_192	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_192	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_192	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_192	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_192	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_192	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_192	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_192	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_192	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_192	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_192	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_192	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_192	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_192	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_192	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_192	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_192	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_192	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_192	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_192	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_192	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_192	Nc1c(OC)cccc1	C90040
PUBCHEM_192	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_192	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_192	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_192	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_192	Cc1ccccc1Cl	C95498
PUBCHEM_192	NC1CCCCC1	C108918
PUBCHEM_192	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_192	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_192	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_192	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_192	Oc1c(cccc1C)C	C576261
PUBCHEM_192	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_192	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_192	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_192	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_192	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_192	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_192	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_192	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_192	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_192	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_192	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_192	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_192	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_192	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_192	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_192	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_192	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_192	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_192	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_192	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_192	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_192	Cc1ccc(Cl)cc1	C106434
PUBCHEM_192	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_192	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_192	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_192	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_192	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_192	Nc1cc(C)ccc1N	C496720
PUBCHEM_192	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_192	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_192	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_192	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_192	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_192	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_192	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_192	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_192	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_192	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_192	N(c1ccccc1)CC	C103695
PUBCHEM_192	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_192	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_192	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_192	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_192	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_192	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_192	Nc1c(N)cccc1	C95545
PUBCHEM_192	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_192	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_192	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_192	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_192	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_192	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_192	Nc1c(cccc1)C	C95534
PUBCHEM_192	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_192	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_192	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_192	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_192	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_192	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_192	Nc1c(cccc1C)C	C87627
PUBCHEM_192	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_192	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_192	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_192	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_192	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_192	N#Cc1cnccc1	C100549
PUBCHEM_192	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_192	Nc1cccc(C)c1	C108441
PUBCHEM_192	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_192	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_192	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_192	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_192	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_192	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_192	Nc1c(CC)cccc1CC	C579668
PUBCHEM_192	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_192	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_192	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_192	Nc1cccc(C)c1N	C2687254
PUBCHEM_192	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_192	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_192	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_192	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_192	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_192	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_192	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_192	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_192	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_192	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_192	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_192	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_192	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_192	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_192	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_192	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_192	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_192	O=Cc1ccccc1C=O	C643798
PUBCHEM_192	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_192	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_192	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_192	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_192	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_192	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_192	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_192	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_192	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_192	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_192	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_192	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_192	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_192	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_192	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_192	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_192	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_192	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_192	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_192	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_192	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_192	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_192	CCCc1ccccc1	C103651
PUBCHEM_192	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_192	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_192	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_192	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_192	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_192	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_192	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_192	CC(C)(C)c1ccccc1	C98066
PUBCHEM_192	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_192	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_192	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_192	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_192	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_192	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_192	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_192	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_192	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_192	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_192	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_192	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_192	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_192	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_192	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_192	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_192	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_192	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_192	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_192	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_192	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_192	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_192	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_192	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_192	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_192	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_192	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_192	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_192	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_192	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_192	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_192	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_192	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_192	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_192	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_192	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_192	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_192	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_192	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_192	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_192	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_192	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_192	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_192	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_192	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_192	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_192	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_192	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_192	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_192	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_192	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_192	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_192	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_192	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_192	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_192	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_192	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_192	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_192	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_192	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_192	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_192	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_192	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_192	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_192	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_192	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_192	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_192	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_192	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_192	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_192	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_192	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_192	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_192	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_192	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_192	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_192	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_192	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_192	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_192	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_192	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_192	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_192	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_192	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_192	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_192	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_192	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_192	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_192	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_192	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_192	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_192	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_192	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_192	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_192	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_192	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_192	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_192	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_192	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_192	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_192	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_192	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_192	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_192	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_192	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_192	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_192	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_192	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_192	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_192	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_192	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_192	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_192	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_192	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_192	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_192	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_192	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_192	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_192	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_192	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_192	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_192	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_192	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_192	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_192	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_192	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_192	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_192	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_192	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_192	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_192	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_192	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_192	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_192	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_192	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_192	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_192	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_192	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_192	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_192	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_192	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_192	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_192	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_192	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_192	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_192	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_192	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_192	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_192	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_192	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_192	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_192	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_192	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_192	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_192	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_192	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_192	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_192	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_192	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_192	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_192	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_192	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_192	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_192	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_192	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_192	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_192	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_192	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_192	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_192	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_192	O=C(OCC)c1ccccc1	C93890
PUBCHEM_192	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_192	NCc1cccc(CN)c1	C1477550
PUBCHEM_192	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_192	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_192	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_192	n1cc(C)ccc1	C108996
PUBCHEM_192	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_192	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_192	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_192	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_192	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_192	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_192	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_192	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_192	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_192	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_192	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_192	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_192	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_192	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_192	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_192	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_192	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_192	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_192	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_192	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_192	NNc1ccccc1.Cl	C59881
PUBCHEM_192	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_192	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_192	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_192	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_192	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_192	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_192	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_192	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_192	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_192	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_192	N#Cc1ccccc1	C100470
PUBCHEM_192	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_192	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_192	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_192	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_192	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_192	Nc1ccc(Br)cc1	C106401
PUBCHEM_192	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_192	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_192	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_192	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_192	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_192	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_192	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_192	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_192	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_192	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_192	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_192	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_192	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_192	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_192	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_192	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_192	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_192	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_192	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_192	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_192	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_192	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_192	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_192	Nc1ccc(OC)cc1	C104949
PUBCHEM_192	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_192	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_192	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_192	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_192	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_192	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_192	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_192	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_192	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_192	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_192	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_192	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_192	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_192	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_192	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_192	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_192	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_192	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_192	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_192	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_192	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_192	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_192	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_192	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_192	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_192	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_192	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_192	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_192	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_192	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_192	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_192	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_192	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_192	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_192	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_192	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_192	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_192	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_192	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_192	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_192	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_192	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_192	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_192	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_192	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_192	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_192	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_192	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_192	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_192	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_192	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_192	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_192	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_192	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_192	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_192	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_192	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_192	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_192	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_192	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_192	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_192	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_192	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_192	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_192	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_192	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_192	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_192	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_192	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_192	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_192	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_192	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_192	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_192	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_192	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_192	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_192	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_192	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_192	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_192	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_192	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_192	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_192	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_192	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_192	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_192	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_192	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_192	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_192	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_192	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_192	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_192	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_192	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_192	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_192	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_192	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_192	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_192	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_192	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_192	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_192	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_192	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_192	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_192	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_192	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_192	Cl[Hg]c1ccccc1	C100561
PUBCHEM_192	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_192	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_192	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_192	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_192	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_192	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_192	O=[As]c1ccccc1	C637036
PUBCHEM_192	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_192	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_192	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_192	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_192	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_192	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_192	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_192	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_192	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_192	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_192	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_192	O=CN1CCCCC1	C2591868
PUBCHEM_192	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_192	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_192	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_192	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_192	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_192	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_192	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_192	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_192	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_192	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_192	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_192	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_192	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_192	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_192	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_192	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_192	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_192	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_192	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_192	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_192	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_192	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_192	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_192	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_192	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_192	Nc1cccc(C)n1	C1824813
PUBCHEM_192	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_192	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_192	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_192	CC1COc2ccccc2N1	C32329207
PUBCHEM_192	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_192	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_192	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_192	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_192	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_192	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_192	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_192	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_192	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_192	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_192	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_192	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_192	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_192	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_192	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_192	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_192	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_192	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_192	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_192	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_192	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_192	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_192	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_192	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_192	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_192	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_192	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_192	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_192	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_192	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_192	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_192	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_192	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_192	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_192	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_192	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_193	Nc1ccccc1.Cl	C142041
PUBCHEM_193	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_193	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_193	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_193	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_193	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_193	CC(=O)OCc1ccccc1	C140114
PUBCHEM_193	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_193	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_193	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_193	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_193	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_193	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_193	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_193	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_193	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_193	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_193	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_193	O=C1CCCCC1	C108941
PUBCHEM_193	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_193	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_193	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_193	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_193	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_193	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_193	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_193	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_193	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_193	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_193	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_193	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_193	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_193	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_193	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_193	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_193	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_193	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_193	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_193	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_193	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_193	c1cccc2[nH]ccc12	C120729
PUBCHEM_193	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_193	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_193	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_193	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_193	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_193	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_193	COc1ccc(cc1)O	C150765
PUBCHEM_193	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_193	C=Cc1ccc(cc1)C	C622979
PUBCHEM_193	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_193	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_193	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_193	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_193	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_193	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_193	Nc1ccc(cc1)N	C106503
PUBCHEM_193	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_193	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_193	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_193	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_193	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_193	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_193	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_193	Nc1ccccc1C.Cl	C636215
PUBCHEM_193	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_193	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_193	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_193	O=CCc1ccccc1	C122781
PUBCHEM_193	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_193	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_193	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_193	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_193	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_193	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_193	O=Cc1ccccc1O	C90028
PUBCHEM_193	Oc1cccc2ccccc12	C90153
PUBCHEM_193	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_193	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_193	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_193	ON=C1CCCCC1	C100641
PUBCHEM_193	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_193	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_193	Oc1ccc(Cl)cc1	C106489
PUBCHEM_193	C1CCCCC1O	C108930
PUBCHEM_193	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_193	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_193	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_193	Oc1ccc(CC)cc1	C123079
PUBCHEM_193	COc1ccc(OC)cc1	C150787
PUBCHEM_193	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_193	Oc1ccc(CCC)cc1	C645567
PUBCHEM_193	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_193	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_193	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_193	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_193	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_193	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_193	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_193	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_193	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_193	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_193	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_193	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_193	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_193	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_193	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_193	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_193	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_193	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_193	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_193	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_193	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_193	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_193	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_193	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_193	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_193	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_193	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_193	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_193	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_193	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_193	c1(c(CC)cccc1)O	C90006
PUBCHEM_193	c1c(O)cccc1CC	C620177
PUBCHEM_193	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_193	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_193	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_193	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_193	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_193	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_193	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_193	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_193	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_193	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_193	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_193	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_193	c1cccc(OC)c1O	C90051
PUBCHEM_193	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_193	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_193	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_193	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_193	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_193	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_193	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_193	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_193	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_193	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_193	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_193	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_193	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_193	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_193	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_193	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_193	Cc1cc(O)ccc1	C108394
PUBCHEM_193	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_193	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_193	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_193	c1ccc2ncsc2c1	C95169
PUBCHEM_193	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_193	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_193	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_193	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_193	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_193	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_193	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_193	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_193	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_193	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_193	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_193	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_193	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_193	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_193	Cc1c(C)cccc1O	C526750
PUBCHEM_193	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_193	C=Cc1ccccc1C=C	C1321740
PUBCHEM_193	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_193	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_193	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_193	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_193	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_193	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_193	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_193	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_193	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_193	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_193	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_193	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_193	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_193	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_193	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_193	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_193	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_193	c12ccccc1CCCC2	C119642
PUBCHEM_193	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_193	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_193	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_193	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_193	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_193	Cc1cccc(C)c1	C108383
PUBCHEM_193	OCCc1ccccc1	C60128
PUBCHEM_193	O=C(O)c1ccccc1O	C69727
PUBCHEM_193	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_193	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_193	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_193	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_193	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_193	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_193	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_193	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_193	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_193	Sc1ccccc1	C108985
PUBCHEM_193	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_193	Oc1ccc2ccccc2c1	C135193
PUBCHEM_193	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_193	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_193	Brc1ccc(F)cc1	C460004
PUBCHEM_193	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_193	ClP(c1ccccc1)Cl	C644973
PUBCHEM_193	OC(C)COc1ccccc1	C770354
PUBCHEM_193	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_193	Nc1cccc(C)c1C	C1300738
PUBCHEM_193	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_193	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_193	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_193	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_193	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_193	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_193	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_193	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_193	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_193	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_193	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_193	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_193	Nc1c(C)cccc1CC	C24549062
PUBCHEM_193	Clc1cccc(C)c1	C25168052
PUBCHEM_193	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_193	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_193	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_193	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_193	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_193	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_193	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_193	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_193	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_193	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_193	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_193	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_193	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_193	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_193	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_193	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_193	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_193	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_193	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_193	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_193	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_193	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_193	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_193	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_193	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_193	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_193	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_193	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_193	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_193	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_193	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_193	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_193	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_193	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_193	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_193	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_193	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_193	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_193	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_193	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_193	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_193	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_193	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_193	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_193	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_193	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_193	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_193	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_193	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_193	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_193	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_193	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_193	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_193	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_193	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_193	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_193	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_193	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_193	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_193	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_193	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_193	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_193	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_193	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_193	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_193	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_193	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_193	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_193	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_193	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_193	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_193	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_193	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_193	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_193	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_193	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_193	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_193	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_193	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_193	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_193	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_193	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_193	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_193	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_193	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_193	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_193	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_193	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_193	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_193	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_193	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_193	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_193	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_193	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_193	O=C(c1ccccc1O)C	C118934
PUBCHEM_193	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_193	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_193	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_193	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_193	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_193	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_193	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_193	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_193	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_193	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_193	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_193	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_193	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_193	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_193	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_193	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_193	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_193	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_193	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_193	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_193	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_193	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_193	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_193	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_193	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_193	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_193	Oc1ccccc1CN(C)C	C120650
PUBCHEM_193	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_193	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_193	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_193	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_193	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_193	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_193	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_193	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_193	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_193	OCC=Cc1ccccc1	C104541
PUBCHEM_193	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_193	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_193	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_193	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_193	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_193	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_193	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_193	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_193	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_193	N#Cc1c(O)cccc1	C611201
PUBCHEM_193	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_193	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_193	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_193	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_193	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_193	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_193	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_193	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_193	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_193	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_193	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_193	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_193	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_193	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_193	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_193	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_193	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_193	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_193	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_193	c12ccccc1CC=C2	C95136
PUBCHEM_193	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_193	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_193	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_193	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_193	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_193	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_193	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_193	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_193	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_193	Oc1c(OCC)cccc1	C94713
PUBCHEM_193	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_193	COc1ccc(CCC)cc1	C104450
PUBCHEM_193	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_193	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_193	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_193	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_193	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_193	OC(CO)c1ccccc1	C93561
PUBCHEM_193	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_193	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_193	O=C(N)Nc1ccccc1	C64108
PUBCHEM_193	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_193	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_193	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_193	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_193	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_193	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_193	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_193	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_193	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_193	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_193	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_193	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_193	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_193	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_193	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_193	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_193	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_193	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_193	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_193	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_193	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_193	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_193	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_193	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_193	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_193	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_193	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_193	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_193	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_193	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_193	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_193	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_193	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_193	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_193	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_193	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_193	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_193	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_193	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_193	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_193	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_193	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_193	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_193	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_193	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_193	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_193	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_193	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_193	Sc1ccc(C)cc1	C106456
PUBCHEM_193	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_193	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_193	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_193	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_193	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_193	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_193	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_193	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_193	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_193	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_193	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_193	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_193	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_193	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_193	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_193	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_193	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_193	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_193	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_193	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_193	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_193	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_193	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_193	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_193	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_193	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_193	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_193	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_193	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_193	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_193	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_193	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_193	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_193	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_193	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_193	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_193	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_193	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_193	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_193	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_193	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_193	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_193	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_193	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_193	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_193	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_193	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_193	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_193	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_193	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_193	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_193	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_193	c1ccccc1OCCO	C122996
PUBCHEM_193	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_193	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_193	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_193	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_193	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_193	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_193	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_193	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_193	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_193	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_193	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_193	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_193	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_193	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_193	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_193	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_193	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_193	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_193	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_193	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_193	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_193	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_193	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_193	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_193	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_193	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_193	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_193	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_193	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_193	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_193	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_193	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_193	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_193	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_193	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_193	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_193	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_193	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_193	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_193	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_193	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_193	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_193	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_193	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_193	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_193	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_193	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_193	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_193	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_193	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_193	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_193	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_193	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_193	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_193	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_193	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_193	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_193	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_193	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_193	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_193	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_193	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_193	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_193	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_193	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_193	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_193	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_193	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_193	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_193	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_193	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_193	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_193	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_193	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_193	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_193	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_193	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_193	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_193	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_193	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_193	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_193	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_193	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_193	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_193	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_193	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_193	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_193	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_193	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_193	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_193	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_193	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_193	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_193	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_193	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_193	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_193	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_193	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_193	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_193	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_193	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_193	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_193	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_193	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_193	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_193	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_193	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_193	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_193	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_193	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_193	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_193	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_193	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_193	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_193	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_193	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_193	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_193	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_193	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_193	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_193	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_193	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_193	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_193	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_193	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_193	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_193	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_193	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_193	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_193	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_193	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_193	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_193	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_193	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_193	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_193	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_193	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_193	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_193	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_193	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_193	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_193	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_193	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_193	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_193	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_193	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_193	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_193	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_193	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_193	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_193	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_193	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_193	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_193	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_193	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_193	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_193	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_193	c1coc2c1cccc2	C271896
PUBCHEM_193	OC(=O)c1ccccc1	C65850
PUBCHEM_193	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_193	OCc1ccccc1	C100516
PUBCHEM_193	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_193	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_193	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_193	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_193	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_193	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_193	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_193	Oc1c(cccc1)O	C120809
PUBCHEM_193	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_193	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_193	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_193	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_193	O=C(c1ccccc1)CCl	C532274
PUBCHEM_193	Nc1ccc(cc1)Cl	C106478
PUBCHEM_193	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_193	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_193	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_193	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_193	Nc1cc(ccc1OC)C	C120718
PUBCHEM_193	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_193	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_193	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_193	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_193	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_193	Clc1c(cccc1)Cl	C95501
PUBCHEM_193	Clc1ccc(cc1)Cl	C106467
PUBCHEM_193	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_193	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_193	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_193	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_193	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_193	CN(c1ccccc1)C	C121697
PUBCHEM_193	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_193	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_193	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_193	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_193	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_193	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_193	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_193	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_193	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_193	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_193	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_193	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_193	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_193	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_193	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_193	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_193	Oc1ccc(cc1)O	C123319
PUBCHEM_193	Oc1cccc2cccnc12	C148243
PUBCHEM_193	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_193	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_193	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_193	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_193	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_193	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_193	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_193	Cc1cc2cccnc2cc1	C91623
PUBCHEM_193	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_193	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_193	c1c2c(ccc1)cccc2	C91203
PUBCHEM_193	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_193	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_193	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_193	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_193	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_193	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_193	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_193	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_193	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_193	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_193	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_193	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_193	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_193	Oc1ccccc1	C108952
PUBCHEM_193	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_193	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_193	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_193	Nc1cc(ccc1)N	C108452
PUBCHEM_193	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_193	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_193	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_193	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_193	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_193	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_193	Oc1cc(ccc1)O	C108463
PUBCHEM_193	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_193	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_193	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_193	C1C(c2ccccc2)O1	C96093
PUBCHEM_193	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_193	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_193	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_193	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_193	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_193	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_193	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_193	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_193	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_193	Oc1ccccc1Cl	C95578
PUBCHEM_193	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_193	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_193	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_193	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_193	n1cccc2c1cccc2	C91225
PUBCHEM_193	CCN(CC)c1ccccc1	C91667
PUBCHEM_193	Oc1c(C)cccc1	C95487
PUBCHEM_193	c1ccccc1C(=O)C	C98862
PUBCHEM_193	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_193	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_193	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_193	CCNc1cc(C)ccc1	C102272
PUBCHEM_193	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_193	Oc1ccc(C)cc1	C106445
PUBCHEM_193	Nc1ccc(C)cc1	C106490
PUBCHEM_193	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_193	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_193	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_193	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_193	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_193	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_193	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_193	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_193	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_193	Clc1cc(Cl)ccc1	C541731
PUBCHEM_193	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_193	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_193	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_193	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_193	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_193	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_193	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_193	c1(CCCC)ccccc1	C104518
PUBCHEM_193	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_193	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_193	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_193	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_193	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_193	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_193	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_193	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_193	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_193	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_193	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_193	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_193	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_193	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_193	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_193	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_193	Nc1c(OC)cccc1	C90040
PUBCHEM_193	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_193	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_193	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_193	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_193	Cc1ccccc1Cl	C95498
PUBCHEM_193	NC1CCCCC1	C108918
PUBCHEM_193	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_193	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_193	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_193	Oc1c(cccc1C)C	C576261
PUBCHEM_193	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_193	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_193	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_193	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_193	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_193	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_193	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_193	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_193	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_193	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_193	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_193	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_193	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_193	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_193	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_193	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_193	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_193	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_193	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_193	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_193	Cc1ccc(Cl)cc1	C106434
PUBCHEM_193	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_193	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_193	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_193	Nc1cc(C)ccc1N	C496720
PUBCHEM_193	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_193	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_193	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_193	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_193	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_193	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_193	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_193	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_193	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_193	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_193	N(c1ccccc1)CC	C103695
PUBCHEM_193	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_193	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_193	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_193	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_193	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_193	Nc1c(N)cccc1	C95545
PUBCHEM_193	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_193	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_193	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_193	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_193	Nc1c(cccc1)C	C95534
PUBCHEM_193	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_193	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_193	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_193	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_193	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_193	Nc1c(cccc1C)C	C87627
PUBCHEM_193	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_193	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_193	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_193	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_193	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_193	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_193	Nc1cccc(C)c1	C108441
PUBCHEM_193	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_193	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_193	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_193	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_193	Nc1c(CC)cccc1CC	C579668
PUBCHEM_193	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_193	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_193	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_193	Nc1cccc(C)c1N	C2687254
PUBCHEM_193	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_193	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_193	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_193	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_193	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_193	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_193	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_193	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_193	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_193	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_193	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_193	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_193	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_193	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_193	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_193	O=Cc1ccccc1C=O	C643798
PUBCHEM_193	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_193	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_193	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_193	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_193	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_193	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_193	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_193	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_193	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_193	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_193	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_193	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_193	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_193	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_193	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_193	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_193	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_193	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_193	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_193	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_193	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_193	CCCc1ccccc1	C103651
PUBCHEM_193	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_193	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_193	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_193	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_193	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_193	CC(C)(C)c1ccccc1	C98066
PUBCHEM_193	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_193	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_193	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_193	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_193	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_193	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_193	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_193	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_193	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_193	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_193	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_193	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_193	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_193	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_193	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_193	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_193	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_193	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_193	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_193	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_193	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_193	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_193	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_193	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_193	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_193	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_193	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_193	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_193	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_193	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_193	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_193	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_193	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_193	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_193	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_193	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_193	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_193	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_193	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_193	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_193	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_193	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_193	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_193	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_193	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_193	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_193	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_193	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_193	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_193	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_193	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_193	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_193	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_193	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_193	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_193	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_193	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_193	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_193	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_193	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_193	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_193	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_193	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_193	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_193	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_193	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_193	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_193	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_193	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_193	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_193	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_193	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_193	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_193	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_193	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_193	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_193	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_193	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_193	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_193	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_193	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_193	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_193	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_193	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_193	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_193	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_193	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_193	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_193	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_193	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_193	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_193	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_193	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_193	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_193	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_193	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_193	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_193	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_193	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_193	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_193	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_193	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_193	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_193	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_193	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_193	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_193	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_193	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_193	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_193	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_193	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_193	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_193	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_193	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_193	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_193	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_193	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_193	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_193	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_193	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_193	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_193	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_193	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_193	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_193	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_193	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_193	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_193	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_193	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_193	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_193	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_193	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_193	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_193	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_193	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_193	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_193	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_193	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_193	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_193	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_193	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_193	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_193	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_193	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_193	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_193	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_193	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_193	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_193	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_193	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_193	O=C(OCC)c1ccccc1	C93890
PUBCHEM_193	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_193	NCc1cccc(CN)c1	C1477550
PUBCHEM_193	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_193	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_193	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_193	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_193	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_193	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_193	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_193	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_193	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_193	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_193	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_193	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_193	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_193	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_193	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_193	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_193	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_193	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_193	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_193	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_193	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_193	NNc1ccccc1.Cl	C59881
PUBCHEM_193	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_193	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_193	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_193	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_193	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_193	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_193	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_193	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_193	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_193	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_193	N#Cc1ccccc1	C100470
PUBCHEM_193	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_193	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_193	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_193	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_193	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_193	Nc1ccc(Br)cc1	C106401
PUBCHEM_193	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_193	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_193	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_193	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_193	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_193	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_193	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_193	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_193	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_193	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_193	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_193	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_193	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_193	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_193	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_193	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_193	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_193	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_193	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_193	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_193	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_193	Nc1ccc(OC)cc1	C104949
PUBCHEM_193	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_193	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_193	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_193	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_193	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_193	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_193	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_193	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_193	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_193	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_193	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_193	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_193	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_193	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_193	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_193	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_193	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_193	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_193	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_193	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_193	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_193	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_193	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_193	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_193	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_193	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_193	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_193	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_193	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_193	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_193	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_193	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_193	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_193	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_193	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_193	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_193	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_193	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_193	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_193	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_193	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_193	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_193	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_193	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_193	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_193	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_193	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_193	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_193	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_193	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_193	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_193	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_193	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_193	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_193	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_193	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_193	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_193	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_193	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_193	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_193	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_193	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_193	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_193	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_193	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_193	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_193	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_193	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_193	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_193	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_193	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_193	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_193	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_193	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_193	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_193	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_193	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_193	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_193	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_193	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_193	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_193	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_193	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_193	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_193	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_193	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_193	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_193	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_193	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_193	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_193	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_193	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_193	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_193	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_193	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_193	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_193	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_193	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_193	Cl[Hg]c1ccccc1	C100561
PUBCHEM_193	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_193	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_193	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_193	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_193	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_193	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_193	O=[As]c1ccccc1	C637036
PUBCHEM_193	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_193	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_193	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_193	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_193	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_193	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_193	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_193	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_193	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_193	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_193	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_193	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_193	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_193	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_193	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_193	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_193	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_193	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_193	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_193	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_193	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_193	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_193	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_193	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_193	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_193	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_193	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_193	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_193	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_193	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_193	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_193	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_193	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_193	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_193	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_193	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_193	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_193	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_193	CC1COc2ccccc2N1	C32329207
PUBCHEM_193	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_193	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_193	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_193	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_193	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_193	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_193	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_193	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_193	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_193	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_193	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_193	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_193	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_193	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_193	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_193	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_193	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_193	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_193	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_193	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_193	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_193	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_193	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_193	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_193	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_193	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_193	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_193	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_193	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_193	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_193	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_194	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_194	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_194	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_194	NC(=O)c1cccnc1	C98920
PUBCHEM_194	OC(=O)c1cccnc1	C59676
PUBCHEM_194	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_194	OCCN1CCNCC1	C103764
PUBCHEM_194	NCCN1CCNCC1	C140318
PUBCHEM_194	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_194	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_194	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_194	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_194	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_194	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_194	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_194	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_194	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_194	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_194	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_194	C1COCCN1	C110918
PUBCHEM_194	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_194	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_194	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_194	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_194	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_194	CN1CCOCC1	C109024
PUBCHEM_194	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_194	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_194	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_194	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_194	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_194	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_194	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_194	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_194	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_194	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_194	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_194	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_194	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_194	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_194	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_194	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_194	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_194	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_194	NCCCN1CCOCC1	C123002
PUBCHEM_194	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_194	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_194	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_194	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_194	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_194	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_194	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_194	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_194	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_194	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_194	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_194	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_194	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_194	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_194	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_194	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_194	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_194	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_194	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_194	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_194	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_194	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_194	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_194	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_194	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_194	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_194	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_194	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_194	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_194	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_194	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_194	CN1CN(C)CSC1=S	C533744
PUBCHEM_194	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_194	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_194	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_194	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_194	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_194	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_194	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_194	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_194	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_194	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_194	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_194	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_194	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_194	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_194	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_194	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_194	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_194	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_194	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_194	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_194	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_194	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_194	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_194	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_194	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_194	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_194	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_194	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_194	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_194	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_194	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_194	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_194	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_194	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_194	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_194	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_194	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_194	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_194	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_194	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_194	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_194	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_194	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_194	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_194	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_194	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_194	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_194	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_194	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_194	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_194	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_194	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_194	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_194	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_194	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_194	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_194	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_194	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_194	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_194	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_194	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_194	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_194	Oc1cccc2cccnc12	C148243
PUBCHEM_194	O=C(c1ccncc1)NN	C54853
PUBCHEM_194	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_194	Cc1cc2cccnc2cc1	C91623
PUBCHEM_194	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_194	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_194	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_194	C1CNCCN1	C110850
PUBCHEM_194	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_194	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_194	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_194	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_194	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_194	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_194	n1cccc2c1cccc2	C91225
PUBCHEM_194	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_194	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_194	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_194	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_194	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_194	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_194	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_194	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_194	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_194	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_194	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_194	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_194	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_194	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_194	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_194	N#Cc1cnccc1	C100549
PUBCHEM_194	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_194	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_194	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_194	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_194	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_194	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_194	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_194	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_194	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_194	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_194	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_194	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_194	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_194	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_194	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_194	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_194	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_194	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_194	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_194	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_194	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_194	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_194	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_194	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_194	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_194	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_194	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_194	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_194	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_194	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_194	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_194	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_194	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_194	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_194	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_194	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_194	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_194	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_194	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_194	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_194	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_194	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_194	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_194	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_194	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_194	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_194	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_194	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_194	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_194	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_194	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_194	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_194	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_194	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_194	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_194	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_194	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_194	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_194	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_194	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_194	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_194	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_194	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_194	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_194	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_194	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_194	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_194	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_194	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_194	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_194	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_194	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_194	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_194	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_194	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_194	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_194	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_194	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_194	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_194	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_194	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_194	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_194	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_194	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_194	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_194	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_194	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_194	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_194	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_194	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_194	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_194	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_194	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_194	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_194	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_194	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_194	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_194	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_194	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_194	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_194	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_194	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_194	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_194	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_194	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_194	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_194	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_194	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_194	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_194	n1cc(C)ccc1	C108996
PUBCHEM_194	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_194	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_194	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_194	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_194	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_194	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_194	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_194	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_194	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_194	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_194	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_194	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_194	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_194	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_194	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_194	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_194	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_194	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_194	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_194	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_194	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_194	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_194	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_194	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_194	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_194	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_194	O=CN1CCCCC1	C2591868
PUBCHEM_194	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_194	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_194	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_194	Nc1cccc(C)n1	C1824813
PUBCHEM_194	CC1COc2ccccc2N1	C32329207
PUBCHEM_194	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_194	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_194	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_194	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_194	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_194	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_194	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_195	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_195	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_195	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_195	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_195	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_195	NC(=O)c1cccnc1	C98920
PUBCHEM_195	OC(=O)c1cccnc1	C59676
PUBCHEM_195	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_195	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_195	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_195	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_195	OCCN1CCNCC1	C103764
PUBCHEM_195	NCCN1CCNCC1	C140318
PUBCHEM_195	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_195	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_195	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_195	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_195	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_195	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_195	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_195	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_195	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_195	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_195	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_195	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_195	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_195	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_195	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_195	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_195	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_195	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_195	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_195	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_195	C1COCCN1	C110918
PUBCHEM_195	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_195	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_195	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_195	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_195	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_195	CN1CCOCC1	C109024
PUBCHEM_195	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_195	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_195	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_195	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_195	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_195	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_195	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_195	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_195	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_195	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_195	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_195	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_195	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_195	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_195	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_195	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_195	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_195	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_195	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_195	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_195	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_195	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_195	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_195	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_195	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_195	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_195	NCCCN1CCOCC1	C123002
PUBCHEM_195	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_195	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_195	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_195	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_195	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_195	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_195	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_195	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_195	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_195	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_195	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_195	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_195	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_195	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_195	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_195	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_195	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_195	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_195	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_195	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_195	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_195	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_195	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_195	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_195	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_195	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_195	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_195	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_195	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_195	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_195	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_195	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_195	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_195	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_195	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_195	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_195	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_195	CN1CN(C)CSC1=S	C533744
PUBCHEM_195	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_195	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_195	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_195	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_195	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_195	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_195	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_195	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_195	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_195	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_195	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_195	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_195	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_195	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_195	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_195	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_195	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_195	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_195	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_195	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_195	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_195	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_195	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_195	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_195	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_195	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_195	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_195	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_195	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_195	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_195	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_195	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_195	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_195	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_195	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_195	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_195	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_195	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_195	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_195	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_195	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_195	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_195	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_195	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_195	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_195	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_195	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_195	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_195	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_195	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_195	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_195	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_195	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_195	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_195	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_195	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_195	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_195	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_195	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_195	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_195	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_195	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_195	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_195	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_195	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_195	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_195	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_195	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_195	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_195	Oc1cccc2cccnc12	C148243
PUBCHEM_195	O=C(c1ccncc1)NN	C54853
PUBCHEM_195	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_195	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_195	Cc1cc2cccnc2cc1	C91623
PUBCHEM_195	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_195	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_195	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_195	C1CNCCN1	C110850
PUBCHEM_195	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_195	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_195	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_195	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_195	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_195	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_195	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_195	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_195	n1cccc2c1cccc2	C91225
PUBCHEM_195	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_195	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_195	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_195	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_195	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_195	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_195	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_195	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_195	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_195	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_195	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_195	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_195	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_195	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_195	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_195	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_195	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_195	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_195	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_195	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_195	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_195	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_195	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_195	N#Cc1cnccc1	C100549
PUBCHEM_195	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_195	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_195	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_195	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_195	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_195	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_195	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_195	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_195	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_195	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_195	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_195	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_195	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_195	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_195	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_195	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_195	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_195	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_195	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_195	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_195	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_195	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_195	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_195	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_195	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_195	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_195	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_195	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_195	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_195	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_195	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_195	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_195	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_195	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_195	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_195	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_195	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_195	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_195	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_195	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_195	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_195	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_195	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_195	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_195	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_195	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_195	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_195	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_195	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_195	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_195	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_195	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_195	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_195	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_195	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_195	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_195	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_195	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_195	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_195	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_195	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_195	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_195	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_195	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_195	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_195	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_195	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_195	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_195	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_195	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_195	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_195	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_195	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_195	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_195	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_195	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_195	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_195	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_195	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_195	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_195	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_195	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_195	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_195	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_195	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_195	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_195	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_195	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_195	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_195	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_195	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_195	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_195	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_195	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_195	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_195	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_195	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_195	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_195	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_195	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_195	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_195	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_195	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_195	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_195	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_195	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_195	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_195	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_195	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_195	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_195	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_195	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_195	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_195	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_195	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_195	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_195	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_195	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_195	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_195	n1cc(C)ccc1	C108996
PUBCHEM_195	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_195	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_195	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_195	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_195	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_195	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_195	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_195	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_195	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_195	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_195	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_195	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_195	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_195	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_195	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_195	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_195	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_195	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_195	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_195	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_195	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_195	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_195	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_195	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_195	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_195	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_195	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_195	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_195	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_195	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_195	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_195	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_195	O=CN1CCCCC1	C2591868
PUBCHEM_195	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_195	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_195	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_195	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_195	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_195	Nc1cccc(C)n1	C1824813
PUBCHEM_195	CC1COc2ccccc2N1	C32329207
PUBCHEM_195	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_195	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_195	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_195	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_195	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_195	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_195	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_195	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_199	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_199	Nc1ccccc1.Cl	C142041
PUBCHEM_199	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_199	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_199	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_199	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_199	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_199	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_199	CC(=O)OCc1ccccc1	C140114
PUBCHEM_199	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_199	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_199	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_199	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_199	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_199	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_199	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_199	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_199	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_199	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_199	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_199	O=C1CCCCC1	C108941
PUBCHEM_199	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_199	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_199	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_199	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_199	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_199	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_199	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_199	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_199	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_199	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_199	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_199	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_199	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_199	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_199	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_199	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_199	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_199	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_199	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_199	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_199	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_199	c1cccc2[nH]ccc12	C120729
PUBCHEM_199	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_199	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_199	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_199	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_199	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_199	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_199	COc1ccc(cc1)O	C150765
PUBCHEM_199	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_199	C=Cc1ccc(cc1)C	C622979
PUBCHEM_199	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_199	NC(=O)c1cccnc1	C98920
PUBCHEM_199	OC(=O)c1cccnc1	C59676
PUBCHEM_199	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_199	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_199	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_199	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_199	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_199	Nc1ccc(cc1)N	C106503
PUBCHEM_199	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_199	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_199	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_199	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_199	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_199	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_199	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_199	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_199	Nc1ccccc1C.Cl	C636215
PUBCHEM_199	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_199	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_199	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_199	O=CCc1ccccc1	C122781
PUBCHEM_199	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_199	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_199	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_199	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_199	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_199	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_199	O=Cc1ccccc1O	C90028
PUBCHEM_199	Oc1cccc2ccccc12	C90153
PUBCHEM_199	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_199	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_199	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_199	ON=C1CCCCC1	C100641
PUBCHEM_199	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_199	OCCN1CCNCC1	C103764
PUBCHEM_199	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_199	Oc1ccc(Cl)cc1	C106489
PUBCHEM_199	C1CCCCC1O	C108930
PUBCHEM_199	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_199	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_199	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_199	Oc1ccc(CC)cc1	C123079
PUBCHEM_199	NCCN1CCNCC1	C140318
PUBCHEM_199	COc1ccc(OC)cc1	C150787
PUBCHEM_199	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_199	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_199	Oc1ccc(CCC)cc1	C645567
PUBCHEM_199	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_199	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_199	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_199	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_199	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_199	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_199	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_199	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_199	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_199	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_199	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_199	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_199	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_199	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_199	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_199	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_199	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_199	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_199	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_199	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_199	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_199	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_199	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_199	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_199	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_199	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_199	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_199	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_199	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_199	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_199	c1(c(CC)cccc1)O	C90006
PUBCHEM_199	c1c(O)cccc1CC	C620177
PUBCHEM_199	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_199	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_199	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_199	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_199	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_199	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_199	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_199	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_199	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_199	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_199	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_199	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_199	c1cccc(OC)c1O	C90051
PUBCHEM_199	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_199	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_199	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_199	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_199	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_199	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_199	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_199	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_199	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_199	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_199	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_199	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_199	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_199	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_199	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_199	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_199	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_199	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_199	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_199	Cc1cc(O)ccc1	C108394
PUBCHEM_199	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_199	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_199	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_199	c1ccc2ncsc2c1	C95169
PUBCHEM_199	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_199	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_199	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_199	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_199	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_199	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_199	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_199	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_199	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_199	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_199	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_199	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_199	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_199	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_199	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_199	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_199	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_199	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_199	Cc1c(C)cccc1O	C526750
PUBCHEM_199	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_199	C=Cc1ccccc1C=C	C1321740
PUBCHEM_199	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_199	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_199	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_199	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_199	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_199	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_199	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_199	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_199	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_199	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_199	C1COCCN1	C110918
PUBCHEM_199	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_199	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_199	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_199	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_199	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_199	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_199	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_199	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_199	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_199	c12ccccc1CCCC2	C119642
PUBCHEM_199	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_199	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_199	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_199	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_199	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_199	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_199	Cc1cccc(C)c1	C108383
PUBCHEM_199	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_199	OCCc1ccccc1	C60128
PUBCHEM_199	O=C(O)c1ccccc1O	C69727
PUBCHEM_199	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_199	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_199	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_199	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_199	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_199	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_199	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_199	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_199	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_199	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_199	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_199	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_199	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_199	Sc1ccccc1	C108985
PUBCHEM_199	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_199	Oc1ccc2ccccc2c1	C135193
PUBCHEM_199	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_199	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_199	Brc1ccc(F)cc1	C460004
PUBCHEM_199	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_199	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_199	ClP(c1ccccc1)Cl	C644973
PUBCHEM_199	OC(C)COc1ccccc1	C770354
PUBCHEM_199	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_199	Nc1cccc(C)c1C	C1300738
PUBCHEM_199	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_199	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_199	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_199	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_199	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_199	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_199	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_199	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_199	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_199	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_199	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_199	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_199	Nc1c(C)cccc1CC	C24549062
PUBCHEM_199	Clc1cccc(C)c1	C25168052
PUBCHEM_199	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_199	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_199	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_199	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_199	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_199	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_199	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_199	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_199	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_199	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_199	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_199	CN1CCOCC1	C109024
PUBCHEM_199	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_199	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_199	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_199	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_199	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_199	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_199	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_199	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_199	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_199	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_199	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_199	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_199	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_199	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_199	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_199	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_199	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_199	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_199	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_199	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_199	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_199	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_199	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_199	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_199	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_199	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_199	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_199	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_199	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_199	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_199	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_199	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_199	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_199	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_199	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_199	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_199	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_199	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_199	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_199	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_199	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_199	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_199	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_199	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_199	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_199	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_199	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_199	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_199	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_199	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_199	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_199	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_199	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_199	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_199	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_199	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_199	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_199	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_199	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_199	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_199	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_199	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_199	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_199	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_199	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_199	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_199	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_199	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_199	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_199	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_199	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_199	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_199	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_199	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_199	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_199	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_199	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_199	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_199	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_199	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_199	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_199	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_199	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_199	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_199	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_199	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_199	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_199	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_199	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_199	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_199	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_199	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_199	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_199	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_199	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_199	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_199	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_199	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_199	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_199	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_199	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_199	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_199	O=C(c1ccccc1O)C	C118934
PUBCHEM_199	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_199	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_199	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_199	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_199	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_199	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_199	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_199	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_199	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_199	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_199	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_199	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_199	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_199	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_199	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_199	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_199	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_199	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_199	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_199	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_199	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_199	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_199	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_199	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_199	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_199	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_199	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_199	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_199	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_199	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_199	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_199	Oc1ccccc1CN(C)C	C120650
PUBCHEM_199	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_199	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_199	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_199	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_199	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_199	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_199	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_199	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_199	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_199	O1C=CCCC1	C110872
PUBCHEM_199	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_199	OCC=Cc1ccccc1	C104541
PUBCHEM_199	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_199	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_199	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_199	NCCCN1CCOCC1	C123002
PUBCHEM_199	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_199	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_199	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_199	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_199	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_199	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_199	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_199	N#Cc1c(O)cccc1	C611201
PUBCHEM_199	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_199	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_199	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_199	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_199	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_199	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_199	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_199	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_199	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_199	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_199	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_199	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_199	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_199	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_199	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_199	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_199	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_199	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_199	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_199	c12ccccc1CC=C2	C95136
PUBCHEM_199	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_199	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_199	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_199	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_199	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_199	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_199	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_199	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_199	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_199	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_199	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_199	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_199	Oc1c(OCC)cccc1	C94713
PUBCHEM_199	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_199	COc1ccc(CCC)cc1	C104450
PUBCHEM_199	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_199	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_199	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_199	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_199	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_199	OC(CO)c1ccccc1	C93561
PUBCHEM_199	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_199	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_199	O=C(N)Nc1ccccc1	C64108
PUBCHEM_199	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_199	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_199	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_199	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_199	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_199	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_199	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_199	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_199	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_199	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_199	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_199	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_199	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_199	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_199	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_199	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_199	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_199	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_199	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_199	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_199	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_199	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_199	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_199	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_199	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_199	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_199	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_199	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_199	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_199	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_199	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_199	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_199	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_199	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_199	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_199	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_199	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_199	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_199	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_199	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_199	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_199	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_199	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_199	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_199	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_199	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_199	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_199	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_199	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_199	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_199	Sc1ccc(C)cc1	C106456
PUBCHEM_199	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_199	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_199	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_199	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_199	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_199	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_199	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_199	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_199	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_199	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_199	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_199	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_199	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_199	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_199	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_199	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_199	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_199	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_199	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_199	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_199	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_199	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_199	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_199	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_199	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_199	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_199	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_199	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_199	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_199	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_199	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_199	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_199	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_199	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_199	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_199	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_199	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_199	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_199	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_199	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_199	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_199	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_199	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_199	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_199	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_199	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_199	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_199	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_199	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_199	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_199	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_199	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_199	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_199	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_199	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_199	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_199	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_199	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_199	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_199	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_199	c1ccccc1OCCO	C122996
PUBCHEM_199	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_199	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_199	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_199	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_199	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_199	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_199	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_199	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_199	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_199	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_199	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_199	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_199	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_199	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_199	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_199	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_199	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_199	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_199	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_199	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_199	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_199	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_199	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_199	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_199	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_199	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_199	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_199	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_199	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_199	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_199	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_199	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_199	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_199	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_199	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_199	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_199	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_199	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_199	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_199	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_199	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_199	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_199	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_199	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_199	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_199	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_199	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_199	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_199	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_199	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_199	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_199	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_199	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_199	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_199	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_199	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_199	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_199	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_199	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_199	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_199	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_199	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_199	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_199	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_199	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_199	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_199	CN1CN(C)CSC1=S	C533744
PUBCHEM_199	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_199	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_199	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_199	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_199	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_199	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_199	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_199	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_199	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_199	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_199	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_199	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_199	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_199	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_199	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_199	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_199	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_199	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_199	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_199	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_199	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_199	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_199	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_199	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_199	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_199	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_199	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_199	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_199	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_199	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_199	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_199	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_199	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_199	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_199	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_199	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_199	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_199	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_199	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_199	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_199	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_199	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_199	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_199	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_199	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_199	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_199	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_199	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_199	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_199	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_199	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_199	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_199	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_199	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_199	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_199	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_199	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_199	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_199	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_199	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_199	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_199	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_199	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_199	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_199	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_199	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_199	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_199	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_199	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_199	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_199	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_199	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_199	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_199	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_199	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_199	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_199	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_199	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_199	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_199	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_199	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_199	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_199	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_199	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_199	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_199	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_199	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_199	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_199	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_199	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_199	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_199	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_199	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_199	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_199	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_199	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_199	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_199	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_199	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_199	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_199	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_199	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_199	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_199	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_199	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_199	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_199	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_199	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_199	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_199	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_199	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_199	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_199	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_199	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_199	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_199	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_199	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_199	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_199	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_199	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_199	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_199	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_199	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_199	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_199	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_199	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_199	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_199	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_199	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_199	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_199	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_199	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_199	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_199	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_199	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_199	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_199	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_199	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_199	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_199	c1coc2c1cccc2	C271896
PUBCHEM_199	OC(=O)c1ccccc1	C65850
PUBCHEM_199	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_199	OCc1ccccc1	C100516
PUBCHEM_199	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_199	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_199	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_199	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_199	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_199	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_199	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_199	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_199	Oc1c(cccc1)O	C120809
PUBCHEM_199	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_199	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_199	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_199	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_199	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_199	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_199	O=C(c1ccccc1)CCl	C532274
PUBCHEM_199	Nc1ccc(cc1)Cl	C106478
PUBCHEM_199	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_199	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_199	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_199	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_199	Nc1cc(ccc1OC)C	C120718
PUBCHEM_199	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_199	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_199	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_199	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_199	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_199	Clc1c(cccc1)Cl	C95501
PUBCHEM_199	Clc1ccc(cc1)Cl	C106467
PUBCHEM_199	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_199	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_199	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_199	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_199	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_199	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_199	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_199	CN(c1ccccc1)C	C121697
PUBCHEM_199	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_199	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_199	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_199	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_199	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_199	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_199	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_199	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_199	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_199	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_199	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_199	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_199	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_199	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_199	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_199	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_199	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_199	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_199	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_199	Oc1ccc(cc1)O	C123319
PUBCHEM_199	Oc1cccc2cccnc12	C148243
PUBCHEM_199	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_199	O=C(c1ccncc1)NN	C54853
PUBCHEM_199	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_199	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_199	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_199	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_199	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_199	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_199	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_199	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_199	Cc1cc2cccnc2cc1	C91623
PUBCHEM_199	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_199	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_199	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_199	c1c2c(ccc1)cccc2	C91203
PUBCHEM_199	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_199	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_199	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_199	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_199	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_199	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_199	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_199	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_199	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_199	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_199	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_199	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_199	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_199	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_199	Oc1ccccc1	C108952
PUBCHEM_199	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_199	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_199	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_199	Nc1cc(ccc1)N	C108452
PUBCHEM_199	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_199	C1CNCCN1	C110850
PUBCHEM_199	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_199	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_199	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_199	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_199	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_199	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_199	Oc1cc(ccc1)O	C108463
PUBCHEM_199	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_199	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_199	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_199	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_199	C1C(c2ccccc2)O1	C96093
PUBCHEM_199	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_199	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_199	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_199	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_199	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_199	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_199	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_199	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_199	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_199	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_199	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_199	Oc1ccccc1Cl	C95578
PUBCHEM_199	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_199	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_199	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_199	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_199	n1cccc2c1cccc2	C91225
PUBCHEM_199	CCN(CC)c1ccccc1	C91667
PUBCHEM_199	Oc1c(C)cccc1	C95487
PUBCHEM_199	c1ccccc1C(=O)C	C98862
PUBCHEM_199	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_199	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_199	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_199	CCNc1cc(C)ccc1	C102272
PUBCHEM_199	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_199	Oc1ccc(C)cc1	C106445
PUBCHEM_199	Nc1ccc(C)cc1	C106490
PUBCHEM_199	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_199	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_199	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_199	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_199	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_199	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_199	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_199	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_199	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_199	Clc1cc(Cl)ccc1	C541731
PUBCHEM_199	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_199	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_199	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_199	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_199	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_199	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_199	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_199	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_199	c1(CCCC)ccccc1	C104518
PUBCHEM_199	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_199	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_199	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_199	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_199	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_199	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_199	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_199	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_199	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_199	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_199	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_199	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_199	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_199	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_199	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_199	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_199	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_199	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_199	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_199	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_199	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_199	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_199	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_199	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_199	Nc1c(OC)cccc1	C90040
PUBCHEM_199	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_199	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_199	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_199	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_199	Cc1ccccc1Cl	C95498
PUBCHEM_199	NC1CCCCC1	C108918
PUBCHEM_199	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_199	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_199	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_199	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_199	Oc1c(cccc1C)C	C576261
PUBCHEM_199	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_199	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_199	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_199	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_199	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_199	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_199	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_199	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_199	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_199	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_199	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_199	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_199	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_199	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_199	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_199	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_199	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_199	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_199	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_199	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_199	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_199	Cc1ccc(Cl)cc1	C106434
PUBCHEM_199	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_199	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_199	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_199	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_199	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_199	Nc1cc(C)ccc1N	C496720
PUBCHEM_199	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_199	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_199	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_199	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_199	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_199	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_199	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_199	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_199	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_199	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_199	N(c1ccccc1)CC	C103695
PUBCHEM_199	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_199	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_199	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_199	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_199	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_199	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_199	Nc1c(N)cccc1	C95545
PUBCHEM_199	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_199	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_199	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_199	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_199	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_199	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_199	Nc1c(cccc1)C	C95534
PUBCHEM_199	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_199	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_199	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_199	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_199	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_199	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_199	Nc1c(cccc1C)C	C87627
PUBCHEM_199	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_199	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_199	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_199	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_199	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_199	N#Cc1cnccc1	C100549
PUBCHEM_199	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_199	Nc1cccc(C)c1	C108441
PUBCHEM_199	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_199	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_199	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_199	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_199	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_199	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_199	Nc1c(CC)cccc1CC	C579668
PUBCHEM_199	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_199	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_199	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_199	Nc1cccc(C)c1N	C2687254
PUBCHEM_199	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_199	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_199	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_199	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_199	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_199	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_199	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_199	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_199	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_199	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_199	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_199	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_199	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_199	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_199	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_199	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_199	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_199	O=Cc1ccccc1C=O	C643798
PUBCHEM_199	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_199	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_199	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_199	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_199	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_199	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_199	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_199	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_199	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_199	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_199	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_199	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_199	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_199	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_199	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_199	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_199	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_199	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_199	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_199	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_199	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_199	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_199	CCCc1ccccc1	C103651
PUBCHEM_199	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_199	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_199	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_199	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_199	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_199	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_199	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_199	CC(C)(C)c1ccccc1	C98066
PUBCHEM_199	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_199	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_199	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_199	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_199	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_199	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_199	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_199	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_199	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_199	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_199	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_199	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_199	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_199	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_199	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_199	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_199	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_199	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_199	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_199	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_199	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_199	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_199	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_199	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_199	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_199	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_199	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_199	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_199	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_199	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_199	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_199	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_199	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_199	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_199	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_199	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_199	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_199	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_199	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_199	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_199	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_199	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_199	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_199	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_199	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_199	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_199	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_199	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_199	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_199	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_199	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_199	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_199	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_199	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_199	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_199	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_199	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_199	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_199	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_199	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_199	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_199	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_199	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_199	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_199	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_199	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_199	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_199	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_199	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_199	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_199	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_199	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_199	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_199	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_199	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_199	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_199	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_199	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_199	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_199	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_199	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_199	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_199	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_199	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_199	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_199	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_199	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_199	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_199	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_199	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_199	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_199	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_199	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_199	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_199	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_199	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_199	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_199	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_199	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_199	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_199	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_199	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_199	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_199	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_199	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_199	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_199	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_199	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_199	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_199	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_199	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_199	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_199	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_199	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_199	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_199	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_199	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_199	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_199	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_199	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_199	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_199	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_199	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_199	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_199	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_199	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_199	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_199	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_199	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_199	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_199	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_199	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_199	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_199	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_199	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_199	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_199	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_199	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_199	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_199	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_199	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_199	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_199	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_199	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_199	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_199	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_199	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_199	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_199	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_199	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_199	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_199	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_199	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_199	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_199	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_199	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_199	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_199	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_199	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_199	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_199	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_199	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_199	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_199	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_199	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_199	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_199	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_199	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_199	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_199	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_199	O=C(OCC)c1ccccc1	C93890
PUBCHEM_199	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_199	NCc1cccc(CN)c1	C1477550
PUBCHEM_199	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_199	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_199	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_199	n1cc(C)ccc1	C108996
PUBCHEM_199	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_199	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_199	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_199	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_199	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_199	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_199	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_199	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_199	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_199	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_199	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_199	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_199	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_199	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_199	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_199	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_199	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_199	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_199	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_199	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_199	NNc1ccccc1.Cl	C59881
PUBCHEM_199	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_199	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_199	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_199	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_199	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_199	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_199	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_199	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_199	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_199	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_199	N#Cc1ccccc1	C100470
PUBCHEM_199	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_199	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_199	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_199	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_199	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_199	Nc1ccc(Br)cc1	C106401
PUBCHEM_199	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_199	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_199	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_199	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_199	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_199	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_199	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_199	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_199	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_199	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_199	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_199	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_199	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_199	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_199	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_199	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_199	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_199	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_199	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_199	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_199	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_199	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_199	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_199	Nc1ccc(OC)cc1	C104949
PUBCHEM_199	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_199	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_199	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_199	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_199	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_199	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_199	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_199	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_199	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_199	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_199	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_199	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_199	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_199	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_199	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_199	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_199	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_199	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_199	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_199	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_199	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_199	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_199	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_199	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_199	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_199	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_199	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_199	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_199	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_199	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_199	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_199	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_199	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_199	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_199	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_199	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_199	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_199	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_199	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_199	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_199	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_199	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_199	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_199	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_199	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_199	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_199	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_199	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_199	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_199	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_199	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_199	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_199	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_199	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_199	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_199	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_199	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_199	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_199	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_199	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_199	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_199	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_199	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_199	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_199	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_199	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_199	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_199	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_199	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_199	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_199	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_199	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_199	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_199	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_199	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_199	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_199	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_199	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_199	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_199	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_199	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_199	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_199	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_199	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_199	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_199	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_199	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_199	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_199	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_199	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_199	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_199	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_199	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_199	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_199	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_199	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_199	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_199	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_199	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_199	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_199	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_199	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_199	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_199	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_199	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_199	Cl[Hg]c1ccccc1	C100561
PUBCHEM_199	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_199	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_199	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_199	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_199	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_199	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_199	O=[As]c1ccccc1	C637036
PUBCHEM_199	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_199	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_199	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_199	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_199	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_199	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_199	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_199	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_199	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_199	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_199	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_199	O=CN1CCCCC1	C2591868
PUBCHEM_199	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_199	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_199	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_199	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_199	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_199	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_199	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_199	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_199	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_199	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_199	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_199	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_199	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_199	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_199	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_199	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_199	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_199	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_199	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_199	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_199	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_199	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_199	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_199	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_199	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_199	Nc1cccc(C)n1	C1824813
PUBCHEM_199	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_199	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_199	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_199	CC1COc2ccccc2N1	C32329207
PUBCHEM_199	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_199	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_199	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_199	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_199	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_199	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_199	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_199	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_199	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_199	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_199	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_199	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_199	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_199	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_199	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_199	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_199	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_199	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_199	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_199	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_199	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_199	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_199	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_199	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_199	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_199	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_199	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_199	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_199	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_199	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_199	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_199	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_199	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_199	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_199	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_199	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_200	Nc1ccccc1.Cl	C142041
PUBCHEM_200	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_200	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_200	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_200	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_200	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_200	CC(=O)OCc1ccccc1	C140114
PUBCHEM_200	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_200	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_200	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_200	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_200	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_200	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_200	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_200	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_200	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_200	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_200	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_200	O=C1CCCCC1	C108941
PUBCHEM_200	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_200	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_200	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_200	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_200	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_200	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_200	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_200	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_200	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_200	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_200	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_200	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_200	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_200	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_200	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_200	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_200	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_200	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_200	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_200	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_200	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_200	c1cccc2[nH]ccc12	C120729
PUBCHEM_200	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_200	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_200	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_200	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_200	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_200	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_200	COc1ccc(cc1)O	C150765
PUBCHEM_200	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_200	C=Cc1ccc(cc1)C	C622979
PUBCHEM_200	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_200	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_200	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_200	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_200	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_200	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_200	Nc1ccc(cc1)N	C106503
PUBCHEM_200	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_200	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_200	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_200	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_200	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_200	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_200	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_200	Nc1ccccc1C.Cl	C636215
PUBCHEM_200	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_200	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_200	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_200	O=CCc1ccccc1	C122781
PUBCHEM_200	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_200	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_200	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_200	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_200	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_200	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_200	O=Cc1ccccc1O	C90028
PUBCHEM_200	Oc1cccc2ccccc12	C90153
PUBCHEM_200	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_200	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_200	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_200	ON=C1CCCCC1	C100641
PUBCHEM_200	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_200	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_200	Oc1ccc(Cl)cc1	C106489
PUBCHEM_200	C1CCCCC1O	C108930
PUBCHEM_200	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_200	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_200	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_200	Oc1ccc(CC)cc1	C123079
PUBCHEM_200	COc1ccc(OC)cc1	C150787
PUBCHEM_200	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_200	Oc1ccc(CCC)cc1	C645567
PUBCHEM_200	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_200	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_200	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_200	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_200	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_200	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_200	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_200	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_200	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_200	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_200	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_200	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_200	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_200	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_200	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_200	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_200	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_200	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_200	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_200	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_200	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_200	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_200	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_200	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_200	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_200	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_200	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_200	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_200	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_200	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_200	c1(c(CC)cccc1)O	C90006
PUBCHEM_200	c1c(O)cccc1CC	C620177
PUBCHEM_200	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_200	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_200	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_200	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_200	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_200	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_200	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_200	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_200	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_200	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_200	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_200	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_200	c1cccc(OC)c1O	C90051
PUBCHEM_200	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_200	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_200	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_200	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_200	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_200	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_200	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_200	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_200	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_200	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_200	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_200	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_200	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_200	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_200	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_200	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_200	Cc1cc(O)ccc1	C108394
PUBCHEM_200	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_200	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_200	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_200	c1ccc2ncsc2c1	C95169
PUBCHEM_200	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_200	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_200	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_200	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_200	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_200	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_200	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_200	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_200	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_200	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_200	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_200	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_200	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_200	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_200	Cc1c(C)cccc1O	C526750
PUBCHEM_200	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_200	C=Cc1ccccc1C=C	C1321740
PUBCHEM_200	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_200	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_200	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_200	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_200	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_200	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_200	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_200	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_200	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_200	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_200	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_200	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_200	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_200	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_200	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_200	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_200	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_200	c12ccccc1CCCC2	C119642
PUBCHEM_200	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_200	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_200	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_200	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_200	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_200	Cc1cccc(C)c1	C108383
PUBCHEM_200	OCCc1ccccc1	C60128
PUBCHEM_200	O=C(O)c1ccccc1O	C69727
PUBCHEM_200	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_200	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_200	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_200	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_200	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_200	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_200	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_200	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_200	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_200	Sc1ccccc1	C108985
PUBCHEM_200	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_200	Oc1ccc2ccccc2c1	C135193
PUBCHEM_200	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_200	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_200	Brc1ccc(F)cc1	C460004
PUBCHEM_200	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_200	ClP(c1ccccc1)Cl	C644973
PUBCHEM_200	OC(C)COc1ccccc1	C770354
PUBCHEM_200	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_200	Nc1cccc(C)c1C	C1300738
PUBCHEM_200	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_200	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_200	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_200	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_200	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_200	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_200	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_200	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_200	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_200	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_200	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_200	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_200	Nc1c(C)cccc1CC	C24549062
PUBCHEM_200	Clc1cccc(C)c1	C25168052
PUBCHEM_200	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_200	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_200	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_200	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_200	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_200	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_200	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_200	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_200	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_200	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_200	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_200	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_200	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_200	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_200	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_200	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_200	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_200	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_200	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_200	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_200	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_200	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_200	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_200	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_200	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_200	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_200	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_200	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_200	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_200	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_200	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_200	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_200	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_200	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_200	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_200	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_200	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_200	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_200	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_200	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_200	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_200	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_200	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_200	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_200	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_200	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_200	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_200	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_200	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_200	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_200	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_200	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_200	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_200	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_200	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_200	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_200	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_200	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_200	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_200	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_200	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_200	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_200	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_200	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_200	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_200	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_200	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_200	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_200	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_200	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_200	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_200	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_200	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_200	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_200	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_200	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_200	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_200	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_200	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_200	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_200	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_200	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_200	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_200	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_200	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_200	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_200	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_200	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_200	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_200	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_200	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_200	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_200	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_200	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_200	O=C(c1ccccc1O)C	C118934
PUBCHEM_200	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_200	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_200	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_200	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_200	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_200	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_200	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_200	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_200	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_200	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_200	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_200	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_200	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_200	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_200	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_200	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_200	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_200	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_200	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_200	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_200	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_200	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_200	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_200	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_200	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_200	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_200	Oc1ccccc1CN(C)C	C120650
PUBCHEM_200	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_200	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_200	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_200	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_200	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_200	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_200	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_200	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_200	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_200	OCC=Cc1ccccc1	C104541
PUBCHEM_200	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_200	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_200	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_200	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_200	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_200	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_200	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_200	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_200	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_200	N#Cc1c(O)cccc1	C611201
PUBCHEM_200	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_200	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_200	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_200	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_200	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_200	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_200	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_200	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_200	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_200	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_200	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_200	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_200	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_200	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_200	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_200	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_200	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_200	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_200	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_200	c12ccccc1CC=C2	C95136
PUBCHEM_200	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_200	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_200	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_200	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_200	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_200	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_200	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_200	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_200	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_200	Oc1c(OCC)cccc1	C94713
PUBCHEM_200	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_200	COc1ccc(CCC)cc1	C104450
PUBCHEM_200	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_200	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_200	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_200	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_200	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_200	OC(CO)c1ccccc1	C93561
PUBCHEM_200	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_200	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_200	O=C(N)Nc1ccccc1	C64108
PUBCHEM_200	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_200	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_200	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_200	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_200	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_200	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_200	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_200	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_200	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_200	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_200	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_200	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_200	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_200	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_200	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_200	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_200	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_200	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_200	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_200	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_200	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_200	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_200	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_200	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_200	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_200	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_200	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_200	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_200	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_200	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_200	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_200	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_200	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_200	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_200	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_200	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_200	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_200	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_200	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_200	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_200	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_200	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_200	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_200	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_200	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_200	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_200	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_200	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_200	Sc1ccc(C)cc1	C106456
PUBCHEM_200	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_200	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_200	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_200	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_200	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_200	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_200	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_200	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_200	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_200	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_200	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_200	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_200	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_200	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_200	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_200	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_200	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_200	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_200	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_200	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_200	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_200	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_200	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_200	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_200	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_200	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_200	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_200	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_200	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_200	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_200	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_200	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_200	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_200	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_200	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_200	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_200	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_200	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_200	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_200	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_200	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_200	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_200	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_200	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_200	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_200	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_200	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_200	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_200	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_200	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_200	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_200	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_200	c1ccccc1OCCO	C122996
PUBCHEM_200	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_200	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_200	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_200	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_200	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_200	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_200	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_200	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_200	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_200	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_200	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_200	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_200	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_200	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_200	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_200	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_200	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_200	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_200	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_200	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_200	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_200	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_200	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_200	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_200	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_200	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_200	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_200	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_200	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_200	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_200	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_200	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_200	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_200	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_200	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_200	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_200	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_200	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_200	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_200	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_200	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_200	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_200	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_200	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_200	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_200	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_200	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_200	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_200	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_200	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_200	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_200	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_200	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_200	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_200	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_200	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_200	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_200	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_200	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_200	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_200	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_200	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_200	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_200	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_200	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_200	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_200	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_200	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_200	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_200	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_200	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_200	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_200	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_200	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_200	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_200	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_200	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_200	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_200	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_200	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_200	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_200	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_200	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_200	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_200	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_200	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_200	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_200	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_200	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_200	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_200	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_200	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_200	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_200	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_200	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_200	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_200	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_200	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_200	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_200	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_200	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_200	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_200	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_200	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_200	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_200	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_200	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_200	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_200	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_200	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_200	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_200	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_200	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_200	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_200	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_200	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_200	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_200	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_200	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_200	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_200	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_200	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_200	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_200	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_200	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_200	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_200	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_200	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_200	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_200	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_200	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_200	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_200	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_200	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_200	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_200	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_200	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_200	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_200	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_200	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_200	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_200	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_200	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_200	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_200	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_200	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_200	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_200	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_200	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_200	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_200	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_200	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_200	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_200	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_200	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_200	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_200	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_200	c1coc2c1cccc2	C271896
PUBCHEM_200	OC(=O)c1ccccc1	C65850
PUBCHEM_200	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_200	OCc1ccccc1	C100516
PUBCHEM_200	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_200	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_200	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_200	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_200	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_200	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_200	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_200	Oc1c(cccc1)O	C120809
PUBCHEM_200	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_200	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_200	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_200	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_200	O=C(c1ccccc1)CCl	C532274
PUBCHEM_200	Nc1ccc(cc1)Cl	C106478
PUBCHEM_200	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_200	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_200	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_200	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_200	Nc1cc(ccc1OC)C	C120718
PUBCHEM_200	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_200	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_200	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_200	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_200	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_200	Clc1c(cccc1)Cl	C95501
PUBCHEM_200	Clc1ccc(cc1)Cl	C106467
PUBCHEM_200	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_200	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_200	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_200	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_200	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_200	CN(c1ccccc1)C	C121697
PUBCHEM_200	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_200	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_200	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_200	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_200	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_200	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_200	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_200	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_200	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_200	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_200	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_200	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_200	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_200	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_200	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_200	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_200	Oc1ccc(cc1)O	C123319
PUBCHEM_200	Oc1cccc2cccnc12	C148243
PUBCHEM_200	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_200	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_200	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_200	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_200	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_200	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_200	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_200	Cc1cc2cccnc2cc1	C91623
PUBCHEM_200	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_200	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_200	c1c2c(ccc1)cccc2	C91203
PUBCHEM_200	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_200	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_200	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_200	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_200	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_200	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_200	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_200	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_200	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_200	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_200	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_200	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_200	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_200	Oc1ccccc1	C108952
PUBCHEM_200	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_200	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_200	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_200	Nc1cc(ccc1)N	C108452
PUBCHEM_200	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_200	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_200	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_200	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_200	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_200	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_200	Oc1cc(ccc1)O	C108463
PUBCHEM_200	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_200	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_200	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_200	C1C(c2ccccc2)O1	C96093
PUBCHEM_200	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_200	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_200	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_200	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_200	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_200	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_200	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_200	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_200	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_200	Oc1ccccc1Cl	C95578
PUBCHEM_200	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_200	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_200	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_200	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_200	n1cccc2c1cccc2	C91225
PUBCHEM_200	CCN(CC)c1ccccc1	C91667
PUBCHEM_200	Oc1c(C)cccc1	C95487
PUBCHEM_200	c1ccccc1C(=O)C	C98862
PUBCHEM_200	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_200	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_200	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_200	CCNc1cc(C)ccc1	C102272
PUBCHEM_200	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_200	Oc1ccc(C)cc1	C106445
PUBCHEM_200	Nc1ccc(C)cc1	C106490
PUBCHEM_200	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_200	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_200	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_200	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_200	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_200	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_200	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_200	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_200	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_200	Clc1cc(Cl)ccc1	C541731
PUBCHEM_200	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_200	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_200	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_200	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_200	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_200	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_200	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_200	c1(CCCC)ccccc1	C104518
PUBCHEM_200	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_200	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_200	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_200	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_200	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_200	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_200	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_200	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_200	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_200	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_200	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_200	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_200	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_200	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_200	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_200	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_200	Nc1c(OC)cccc1	C90040
PUBCHEM_200	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_200	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_200	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_200	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_200	Cc1ccccc1Cl	C95498
PUBCHEM_200	NC1CCCCC1	C108918
PUBCHEM_200	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_200	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_200	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_200	Oc1c(cccc1C)C	C576261
PUBCHEM_200	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_200	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_200	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_200	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_200	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_200	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_200	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_200	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_200	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_200	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_200	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_200	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_200	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_200	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_200	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_200	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_200	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_200	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_200	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_200	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_200	Cc1ccc(Cl)cc1	C106434
PUBCHEM_200	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_200	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_200	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_200	Nc1cc(C)ccc1N	C496720
PUBCHEM_200	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_200	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_200	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_200	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_200	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_200	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_200	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_200	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_200	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_200	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_200	N(c1ccccc1)CC	C103695
PUBCHEM_200	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_200	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_200	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_200	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_200	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_200	Nc1c(N)cccc1	C95545
PUBCHEM_200	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_200	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_200	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_200	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_200	Nc1c(cccc1)C	C95534
PUBCHEM_200	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_200	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_200	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_200	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_200	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_200	Nc1c(cccc1C)C	C87627
PUBCHEM_200	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_200	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_200	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_200	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_200	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_200	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_200	Nc1cccc(C)c1	C108441
PUBCHEM_200	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_200	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_200	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_200	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_200	Nc1c(CC)cccc1CC	C579668
PUBCHEM_200	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_200	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_200	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_200	Nc1cccc(C)c1N	C2687254
PUBCHEM_200	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_200	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_200	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_200	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_200	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_200	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_200	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_200	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_200	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_200	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_200	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_200	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_200	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_200	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_200	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_200	O=Cc1ccccc1C=O	C643798
PUBCHEM_200	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_200	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_200	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_200	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_200	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_200	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_200	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_200	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_200	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_200	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_200	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_200	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_200	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_200	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_200	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_200	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_200	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_200	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_200	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_200	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_200	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_200	CCCc1ccccc1	C103651
PUBCHEM_200	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_200	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_200	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_200	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_200	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_200	CC(C)(C)c1ccccc1	C98066
PUBCHEM_200	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_200	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_200	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_200	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_200	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_200	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_200	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_200	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_200	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_200	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_200	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_200	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_200	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_200	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_200	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_200	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_200	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_200	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_200	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_200	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_200	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_200	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_200	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_200	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_200	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_200	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_200	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_200	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_200	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_200	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_200	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_200	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_200	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_200	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_200	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_200	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_200	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_200	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_200	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_200	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_200	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_200	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_200	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_200	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_200	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_200	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_200	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_200	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_200	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_200	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_200	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_200	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_200	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_200	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_200	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_200	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_200	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_200	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_200	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_200	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_200	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_200	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_200	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_200	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_200	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_200	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_200	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_200	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_200	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_200	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_200	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_200	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_200	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_200	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_200	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_200	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_200	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_200	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_200	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_200	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_200	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_200	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_200	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_200	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_200	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_200	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_200	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_200	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_200	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_200	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_200	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_200	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_200	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_200	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_200	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_200	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_200	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_200	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_200	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_200	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_200	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_200	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_200	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_200	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_200	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_200	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_200	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_200	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_200	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_200	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_200	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_200	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_200	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_200	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_200	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_200	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_200	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_200	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_200	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_200	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_200	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_200	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_200	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_200	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_200	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_200	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_200	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_200	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_200	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_200	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_200	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_200	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_200	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_200	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_200	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_200	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_200	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_200	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_200	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_200	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_200	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_200	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_200	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_200	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_200	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_200	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_200	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_200	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_200	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_200	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_200	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_200	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_200	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_200	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_200	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_200	O=C(OCC)c1ccccc1	C93890
PUBCHEM_200	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_200	NCc1cccc(CN)c1	C1477550
PUBCHEM_200	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_200	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_200	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_200	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_200	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_200	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_200	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_200	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_200	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_200	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_200	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_200	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_200	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_200	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_200	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_200	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_200	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_200	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_200	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_200	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_200	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_200	NNc1ccccc1.Cl	C59881
PUBCHEM_200	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_200	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_200	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_200	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_200	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_200	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_200	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_200	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_200	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_200	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_200	N#Cc1ccccc1	C100470
PUBCHEM_200	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_200	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_200	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_200	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_200	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_200	Nc1ccc(Br)cc1	C106401
PUBCHEM_200	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_200	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_200	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_200	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_200	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_200	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_200	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_200	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_200	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_200	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_200	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_200	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_200	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_200	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_200	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_200	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_200	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_200	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_200	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_200	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_200	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_200	Nc1ccc(OC)cc1	C104949
PUBCHEM_200	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_200	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_200	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_200	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_200	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_200	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_200	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_200	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_200	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_200	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_200	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_200	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_200	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_200	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_200	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_200	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_200	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_200	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_200	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_200	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_200	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_200	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_200	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_200	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_200	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_200	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_200	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_200	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_200	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_200	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_200	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_200	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_200	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_200	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_200	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_200	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_200	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_200	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_200	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_200	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_200	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_200	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_200	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_200	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_200	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_200	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_200	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_200	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_200	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_200	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_200	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_200	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_200	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_200	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_200	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_200	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_200	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_200	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_200	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_200	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_200	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_200	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_200	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_200	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_200	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_200	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_200	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_200	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_200	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_200	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_200	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_200	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_200	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_200	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_200	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_200	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_200	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_200	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_200	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_200	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_200	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_200	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_200	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_200	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_200	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_200	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_200	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_200	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_200	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_200	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_200	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_200	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_200	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_200	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_200	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_200	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_200	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_200	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_200	Cl[Hg]c1ccccc1	C100561
PUBCHEM_200	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_200	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_200	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_200	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_200	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_200	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_200	O=[As]c1ccccc1	C637036
PUBCHEM_200	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_200	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_200	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_200	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_200	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_200	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_200	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_200	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_200	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_200	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_200	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_200	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_200	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_200	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_200	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_200	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_200	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_200	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_200	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_200	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_200	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_200	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_200	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_200	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_200	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_200	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_200	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_200	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_200	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_200	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_200	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_200	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_200	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_200	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_200	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_200	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_200	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_200	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_200	CC1COc2ccccc2N1	C32329207
PUBCHEM_200	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_200	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_200	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_200	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_200	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_200	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_200	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_200	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_200	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_200	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_200	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_200	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_200	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_200	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_200	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_200	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_200	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_200	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_200	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_200	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_200	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_200	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_200	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_200	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_200	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_200	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_200	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_200	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_200	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_200	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_200	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_201	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_201	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_201	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_201	NC(=O)c1cccnc1	C98920
PUBCHEM_201	OC(=O)c1cccnc1	C59676
PUBCHEM_201	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_201	OCCN1CCNCC1	C103764
PUBCHEM_201	NCCN1CCNCC1	C140318
PUBCHEM_201	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_201	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_201	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_201	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_201	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_201	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_201	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_201	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_201	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_201	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_201	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_201	C1COCCN1	C110918
PUBCHEM_201	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_201	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_201	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_201	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_201	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_201	CN1CCOCC1	C109024
PUBCHEM_201	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_201	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_201	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_201	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_201	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_201	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_201	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_201	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_201	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_201	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_201	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_201	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_201	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_201	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_201	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_201	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_201	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_201	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_201	NCCCN1CCOCC1	C123002
PUBCHEM_201	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_201	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_201	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_201	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_201	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_201	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_201	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_201	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_201	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_201	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_201	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_201	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_201	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_201	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_201	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_201	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_201	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_201	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_201	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_201	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_201	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_201	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_201	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_201	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_201	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_201	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_201	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_201	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_201	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_201	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_201	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_201	CN1CN(C)CSC1=S	C533744
PUBCHEM_201	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_201	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_201	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_201	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_201	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_201	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_201	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_201	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_201	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_201	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_201	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_201	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_201	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_201	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_201	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_201	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_201	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_201	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_201	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_201	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_201	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_201	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_201	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_201	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_201	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_201	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_201	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_201	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_201	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_201	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_201	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_201	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_201	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_201	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_201	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_201	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_201	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_201	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_201	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_201	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_201	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_201	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_201	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_201	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_201	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_201	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_201	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_201	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_201	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_201	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_201	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_201	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_201	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_201	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_201	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_201	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_201	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_201	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_201	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_201	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_201	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_201	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_201	Oc1cccc2cccnc12	C148243
PUBCHEM_201	O=C(c1ccncc1)NN	C54853
PUBCHEM_201	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_201	Cc1cc2cccnc2cc1	C91623
PUBCHEM_201	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_201	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_201	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_201	C1CNCCN1	C110850
PUBCHEM_201	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_201	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_201	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_201	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_201	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_201	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_201	n1cccc2c1cccc2	C91225
PUBCHEM_201	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_201	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_201	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_201	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_201	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_201	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_201	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_201	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_201	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_201	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_201	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_201	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_201	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_201	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_201	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_201	N#Cc1cnccc1	C100549
PUBCHEM_201	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_201	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_201	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_201	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_201	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_201	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_201	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_201	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_201	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_201	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_201	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_201	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_201	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_201	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_201	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_201	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_201	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_201	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_201	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_201	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_201	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_201	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_201	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_201	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_201	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_201	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_201	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_201	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_201	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_201	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_201	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_201	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_201	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_201	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_201	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_201	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_201	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_201	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_201	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_201	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_201	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_201	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_201	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_201	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_201	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_201	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_201	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_201	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_201	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_201	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_201	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_201	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_201	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_201	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_201	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_201	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_201	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_201	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_201	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_201	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_201	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_201	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_201	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_201	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_201	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_201	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_201	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_201	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_201	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_201	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_201	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_201	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_201	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_201	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_201	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_201	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_201	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_201	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_201	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_201	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_201	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_201	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_201	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_201	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_201	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_201	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_201	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_201	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_201	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_201	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_201	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_201	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_201	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_201	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_201	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_201	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_201	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_201	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_201	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_201	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_201	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_201	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_201	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_201	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_201	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_201	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_201	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_201	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_201	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_201	n1cc(C)ccc1	C108996
PUBCHEM_201	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_201	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_201	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_201	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_201	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_201	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_201	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_201	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_201	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_201	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_201	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_201	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_201	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_201	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_201	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_201	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_201	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_201	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_201	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_201	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_201	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_201	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_201	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_201	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_201	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_201	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_201	O=CN1CCCCC1	C2591868
PUBCHEM_201	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_201	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_201	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_201	Nc1cccc(C)n1	C1824813
PUBCHEM_201	CC1COc2ccccc2N1	C32329207
PUBCHEM_201	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_201	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_201	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_201	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_201	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_201	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_201	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_202	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_202	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_202	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_202	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_202	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_202	NC(=O)c1cccnc1	C98920
PUBCHEM_202	OC(=O)c1cccnc1	C59676
PUBCHEM_202	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_202	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_202	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_202	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_202	OCCN1CCNCC1	C103764
PUBCHEM_202	NCCN1CCNCC1	C140318
PUBCHEM_202	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_202	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_202	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_202	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_202	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_202	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_202	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_202	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_202	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_202	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_202	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_202	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_202	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_202	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_202	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_202	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_202	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_202	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_202	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_202	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_202	C1COCCN1	C110918
PUBCHEM_202	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_202	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_202	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_202	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_202	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_202	CN1CCOCC1	C109024
PUBCHEM_202	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_202	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_202	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_202	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_202	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_202	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_202	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_202	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_202	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_202	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_202	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_202	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_202	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_202	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_202	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_202	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_202	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_202	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_202	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_202	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_202	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_202	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_202	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_202	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_202	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_202	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_202	NCCCN1CCOCC1	C123002
PUBCHEM_202	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_202	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_202	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_202	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_202	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_202	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_202	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_202	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_202	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_202	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_202	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_202	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_202	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_202	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_202	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_202	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_202	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_202	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_202	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_202	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_202	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_202	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_202	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_202	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_202	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_202	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_202	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_202	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_202	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_202	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_202	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_202	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_202	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_202	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_202	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_202	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_202	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_202	CN1CN(C)CSC1=S	C533744
PUBCHEM_202	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_202	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_202	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_202	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_202	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_202	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_202	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_202	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_202	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_202	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_202	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_202	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_202	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_202	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_202	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_202	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_202	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_202	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_202	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_202	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_202	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_202	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_202	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_202	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_202	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_202	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_202	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_202	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_202	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_202	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_202	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_202	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_202	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_202	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_202	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_202	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_202	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_202	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_202	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_202	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_202	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_202	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_202	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_202	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_202	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_202	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_202	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_202	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_202	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_202	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_202	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_202	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_202	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_202	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_202	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_202	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_202	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_202	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_202	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_202	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_202	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_202	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_202	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_202	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_202	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_202	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_202	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_202	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_202	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_202	Oc1cccc2cccnc12	C148243
PUBCHEM_202	O=C(c1ccncc1)NN	C54853
PUBCHEM_202	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_202	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_202	Cc1cc2cccnc2cc1	C91623
PUBCHEM_202	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_202	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_202	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_202	C1CNCCN1	C110850
PUBCHEM_202	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_202	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_202	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_202	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_202	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_202	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_202	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_202	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_202	n1cccc2c1cccc2	C91225
PUBCHEM_202	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_202	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_202	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_202	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_202	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_202	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_202	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_202	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_202	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_202	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_202	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_202	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_202	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_202	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_202	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_202	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_202	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_202	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_202	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_202	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_202	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_202	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_202	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_202	N#Cc1cnccc1	C100549
PUBCHEM_202	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_202	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_202	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_202	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_202	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_202	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_202	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_202	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_202	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_202	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_202	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_202	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_202	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_202	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_202	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_202	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_202	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_202	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_202	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_202	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_202	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_202	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_202	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_202	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_202	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_202	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_202	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_202	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_202	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_202	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_202	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_202	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_202	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_202	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_202	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_202	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_202	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_202	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_202	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_202	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_202	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_202	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_202	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_202	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_202	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_202	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_202	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_202	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_202	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_202	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_202	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_202	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_202	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_202	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_202	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_202	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_202	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_202	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_202	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_202	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_202	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_202	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_202	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_202	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_202	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_202	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_202	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_202	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_202	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_202	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_202	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_202	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_202	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_202	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_202	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_202	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_202	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_202	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_202	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_202	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_202	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_202	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_202	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_202	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_202	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_202	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_202	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_202	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_202	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_202	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_202	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_202	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_202	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_202	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_202	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_202	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_202	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_202	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_202	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_202	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_202	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_202	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_202	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_202	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_202	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_202	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_202	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_202	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_202	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_202	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_202	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_202	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_202	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_202	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_202	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_202	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_202	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_202	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_202	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_202	n1cc(C)ccc1	C108996
PUBCHEM_202	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_202	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_202	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_202	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_202	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_202	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_202	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_202	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_202	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_202	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_202	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_202	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_202	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_202	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_202	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_202	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_202	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_202	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_202	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_202	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_202	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_202	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_202	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_202	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_202	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_202	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_202	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_202	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_202	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_202	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_202	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_202	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_202	O=CN1CCCCC1	C2591868
PUBCHEM_202	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_202	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_202	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_202	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_202	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_202	Nc1cccc(C)n1	C1824813
PUBCHEM_202	CC1COc2ccccc2N1	C32329207
PUBCHEM_202	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_202	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_202	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_202	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_202	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_202	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_202	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_202	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_206	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_206	Nc1ccccc1.Cl	C142041
PUBCHEM_206	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_206	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_206	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_206	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_206	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_206	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_206	CC(=O)OCc1ccccc1	C140114
PUBCHEM_206	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_206	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_206	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_206	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_206	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_206	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_206	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_206	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_206	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_206	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_206	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_206	O=C1CCCCC1	C108941
PUBCHEM_206	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_206	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_206	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_206	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_206	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_206	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_206	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_206	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_206	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_206	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_206	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_206	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_206	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_206	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_206	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_206	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_206	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_206	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_206	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_206	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_206	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_206	c1cccc2[nH]ccc12	C120729
PUBCHEM_206	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_206	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_206	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_206	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_206	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_206	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_206	COc1ccc(cc1)O	C150765
PUBCHEM_206	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_206	C=Cc1ccc(cc1)C	C622979
PUBCHEM_206	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_206	NC(=O)c1cccnc1	C98920
PUBCHEM_206	OC(=O)c1cccnc1	C59676
PUBCHEM_206	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_206	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_206	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_206	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_206	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_206	Nc1ccc(cc1)N	C106503
PUBCHEM_206	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_206	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_206	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_206	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_206	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_206	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_206	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_206	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_206	Nc1ccccc1C.Cl	C636215
PUBCHEM_206	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_206	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_206	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_206	O=CCc1ccccc1	C122781
PUBCHEM_206	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_206	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_206	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_206	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_206	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_206	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_206	O=Cc1ccccc1O	C90028
PUBCHEM_206	Oc1cccc2ccccc12	C90153
PUBCHEM_206	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_206	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_206	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_206	ON=C1CCCCC1	C100641
PUBCHEM_206	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_206	OCCN1CCNCC1	C103764
PUBCHEM_206	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_206	Oc1ccc(Cl)cc1	C106489
PUBCHEM_206	C1CCCCC1O	C108930
PUBCHEM_206	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_206	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_206	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_206	Oc1ccc(CC)cc1	C123079
PUBCHEM_206	NCCN1CCNCC1	C140318
PUBCHEM_206	COc1ccc(OC)cc1	C150787
PUBCHEM_206	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_206	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_206	Oc1ccc(CCC)cc1	C645567
PUBCHEM_206	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_206	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_206	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_206	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_206	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_206	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_206	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_206	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_206	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_206	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_206	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_206	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_206	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_206	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_206	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_206	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_206	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_206	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_206	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_206	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_206	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_206	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_206	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_206	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_206	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_206	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_206	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_206	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_206	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_206	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_206	c1(c(CC)cccc1)O	C90006
PUBCHEM_206	c1c(O)cccc1CC	C620177
PUBCHEM_206	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_206	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_206	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_206	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_206	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_206	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_206	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_206	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_206	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_206	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_206	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_206	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_206	c1cccc(OC)c1O	C90051
PUBCHEM_206	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_206	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_206	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_206	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_206	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_206	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_206	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_206	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_206	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_206	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_206	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_206	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_206	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_206	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_206	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_206	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_206	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_206	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_206	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_206	Cc1cc(O)ccc1	C108394
PUBCHEM_206	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_206	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_206	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_206	c1ccc2ncsc2c1	C95169
PUBCHEM_206	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_206	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_206	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_206	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_206	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_206	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_206	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_206	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_206	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_206	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_206	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_206	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_206	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_206	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_206	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_206	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_206	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_206	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_206	Cc1c(C)cccc1O	C526750
PUBCHEM_206	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_206	C=Cc1ccccc1C=C	C1321740
PUBCHEM_206	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_206	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_206	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_206	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_206	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_206	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_206	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_206	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_206	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_206	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_206	C1COCCN1	C110918
PUBCHEM_206	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_206	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_206	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_206	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_206	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_206	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_206	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_206	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_206	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_206	c12ccccc1CCCC2	C119642
PUBCHEM_206	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_206	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_206	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_206	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_206	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_206	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_206	Cc1cccc(C)c1	C108383
PUBCHEM_206	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_206	OCCc1ccccc1	C60128
PUBCHEM_206	O=C(O)c1ccccc1O	C69727
PUBCHEM_206	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_206	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_206	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_206	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_206	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_206	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_206	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_206	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_206	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_206	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_206	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_206	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_206	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_206	Sc1ccccc1	C108985
PUBCHEM_206	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_206	Oc1ccc2ccccc2c1	C135193
PUBCHEM_206	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_206	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_206	Brc1ccc(F)cc1	C460004
PUBCHEM_206	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_206	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_206	ClP(c1ccccc1)Cl	C644973
PUBCHEM_206	OC(C)COc1ccccc1	C770354
PUBCHEM_206	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_206	Nc1cccc(C)c1C	C1300738
PUBCHEM_206	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_206	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_206	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_206	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_206	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_206	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_206	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_206	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_206	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_206	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_206	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_206	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_206	Nc1c(C)cccc1CC	C24549062
PUBCHEM_206	Clc1cccc(C)c1	C25168052
PUBCHEM_206	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_206	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_206	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_206	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_206	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_206	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_206	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_206	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_206	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_206	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_206	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_206	CN1CCOCC1	C109024
PUBCHEM_206	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_206	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_206	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_206	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_206	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_206	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_206	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_206	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_206	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_206	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_206	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_206	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_206	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_206	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_206	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_206	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_206	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_206	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_206	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_206	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_206	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_206	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_206	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_206	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_206	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_206	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_206	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_206	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_206	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_206	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_206	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_206	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_206	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_206	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_206	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_206	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_206	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_206	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_206	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_206	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_206	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_206	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_206	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_206	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_206	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_206	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_206	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_206	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_206	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_206	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_206	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_206	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_206	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_206	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_206	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_206	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_206	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_206	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_206	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_206	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_206	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_206	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_206	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_206	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_206	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_206	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_206	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_206	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_206	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_206	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_206	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_206	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_206	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_206	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_206	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_206	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_206	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_206	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_206	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_206	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_206	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_206	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_206	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_206	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_206	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_206	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_206	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_206	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_206	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_206	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_206	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_206	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_206	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_206	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_206	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_206	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_206	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_206	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_206	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_206	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_206	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_206	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_206	O=C(c1ccccc1O)C	C118934
PUBCHEM_206	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_206	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_206	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_206	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_206	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_206	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_206	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_206	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_206	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_206	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_206	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_206	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_206	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_206	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_206	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_206	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_206	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_206	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_206	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_206	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_206	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_206	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_206	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_206	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_206	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_206	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_206	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_206	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_206	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_206	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_206	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_206	Oc1ccccc1CN(C)C	C120650
PUBCHEM_206	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_206	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_206	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_206	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_206	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_206	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_206	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_206	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_206	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_206	O1C=CCCC1	C110872
PUBCHEM_206	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_206	OCC=Cc1ccccc1	C104541
PUBCHEM_206	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_206	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_206	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_206	NCCCN1CCOCC1	C123002
PUBCHEM_206	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_206	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_206	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_206	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_206	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_206	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_206	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_206	N#Cc1c(O)cccc1	C611201
PUBCHEM_206	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_206	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_206	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_206	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_206	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_206	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_206	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_206	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_206	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_206	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_206	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_206	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_206	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_206	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_206	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_206	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_206	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_206	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_206	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_206	c12ccccc1CC=C2	C95136
PUBCHEM_206	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_206	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_206	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_206	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_206	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_206	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_206	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_206	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_206	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_206	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_206	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_206	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_206	Oc1c(OCC)cccc1	C94713
PUBCHEM_206	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_206	COc1ccc(CCC)cc1	C104450
PUBCHEM_206	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_206	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_206	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_206	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_206	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_206	OC(CO)c1ccccc1	C93561
PUBCHEM_206	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_206	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_206	O=C(N)Nc1ccccc1	C64108
PUBCHEM_206	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_206	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_206	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_206	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_206	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_206	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_206	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_206	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_206	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_206	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_206	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_206	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_206	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_206	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_206	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_206	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_206	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_206	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_206	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_206	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_206	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_206	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_206	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_206	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_206	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_206	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_206	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_206	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_206	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_206	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_206	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_206	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_206	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_206	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_206	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_206	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_206	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_206	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_206	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_206	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_206	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_206	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_206	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_206	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_206	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_206	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_206	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_206	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_206	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_206	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_206	Sc1ccc(C)cc1	C106456
PUBCHEM_206	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_206	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_206	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_206	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_206	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_206	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_206	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_206	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_206	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_206	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_206	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_206	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_206	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_206	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_206	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_206	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_206	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_206	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_206	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_206	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_206	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_206	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_206	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_206	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_206	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_206	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_206	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_206	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_206	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_206	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_206	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_206	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_206	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_206	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_206	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_206	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_206	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_206	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_206	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_206	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_206	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_206	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_206	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_206	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_206	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_206	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_206	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_206	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_206	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_206	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_206	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_206	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_206	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_206	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_206	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_206	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_206	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_206	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_206	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_206	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_206	c1ccccc1OCCO	C122996
PUBCHEM_206	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_206	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_206	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_206	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_206	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_206	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_206	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_206	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_206	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_206	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_206	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_206	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_206	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_206	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_206	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_206	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_206	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_206	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_206	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_206	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_206	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_206	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_206	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_206	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_206	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_206	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_206	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_206	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_206	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_206	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_206	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_206	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_206	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_206	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_206	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_206	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_206	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_206	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_206	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_206	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_206	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_206	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_206	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_206	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_206	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_206	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_206	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_206	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_206	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_206	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_206	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_206	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_206	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_206	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_206	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_206	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_206	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_206	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_206	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_206	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_206	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_206	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_206	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_206	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_206	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_206	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_206	CN1CN(C)CSC1=S	C533744
PUBCHEM_206	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_206	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_206	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_206	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_206	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_206	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_206	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_206	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_206	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_206	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_206	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_206	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_206	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_206	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_206	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_206	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_206	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_206	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_206	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_206	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_206	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_206	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_206	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_206	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_206	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_206	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_206	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_206	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_206	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_206	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_206	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_206	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_206	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_206	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_206	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_206	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_206	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_206	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_206	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_206	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_206	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_206	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_206	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_206	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_206	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_206	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_206	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_206	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_206	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_206	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_206	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_206	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_206	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_206	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_206	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_206	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_206	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_206	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_206	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_206	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_206	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_206	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_206	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_206	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_206	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_206	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_206	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_206	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_206	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_206	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_206	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_206	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_206	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_206	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_206	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_206	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_206	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_206	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_206	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_206	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_206	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_206	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_206	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_206	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_206	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_206	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_206	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_206	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_206	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_206	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_206	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_206	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_206	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_206	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_206	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_206	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_206	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_206	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_206	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_206	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_206	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_206	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_206	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_206	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_206	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_206	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_206	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_206	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_206	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_206	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_206	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_206	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_206	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_206	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_206	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_206	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_206	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_206	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_206	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_206	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_206	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_206	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_206	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_206	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_206	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_206	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_206	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_206	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_206	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_206	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_206	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_206	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_206	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_206	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_206	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_206	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_206	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_206	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_206	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_206	c1coc2c1cccc2	C271896
PUBCHEM_206	OC(=O)c1ccccc1	C65850
PUBCHEM_206	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_206	OCc1ccccc1	C100516
PUBCHEM_206	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_206	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_206	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_206	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_206	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_206	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_206	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_206	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_206	Oc1c(cccc1)O	C120809
PUBCHEM_206	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_206	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_206	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_206	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_206	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_206	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_206	O=C(c1ccccc1)CCl	C532274
PUBCHEM_206	Nc1ccc(cc1)Cl	C106478
PUBCHEM_206	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_206	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_206	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_206	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_206	Nc1cc(ccc1OC)C	C120718
PUBCHEM_206	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_206	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_206	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_206	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_206	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_206	Clc1c(cccc1)Cl	C95501
PUBCHEM_206	Clc1ccc(cc1)Cl	C106467
PUBCHEM_206	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_206	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_206	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_206	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_206	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_206	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_206	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_206	CN(c1ccccc1)C	C121697
PUBCHEM_206	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_206	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_206	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_206	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_206	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_206	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_206	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_206	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_206	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_206	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_206	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_206	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_206	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_206	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_206	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_206	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_206	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_206	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_206	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_206	Oc1ccc(cc1)O	C123319
PUBCHEM_206	Oc1cccc2cccnc12	C148243
PUBCHEM_206	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_206	O=C(c1ccncc1)NN	C54853
PUBCHEM_206	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_206	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_206	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_206	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_206	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_206	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_206	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_206	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_206	Cc1cc2cccnc2cc1	C91623
PUBCHEM_206	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_206	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_206	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_206	c1c2c(ccc1)cccc2	C91203
PUBCHEM_206	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_206	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_206	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_206	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_206	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_206	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_206	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_206	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_206	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_206	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_206	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_206	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_206	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_206	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_206	Oc1ccccc1	C108952
PUBCHEM_206	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_206	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_206	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_206	Nc1cc(ccc1)N	C108452
PUBCHEM_206	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_206	C1CNCCN1	C110850
PUBCHEM_206	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_206	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_206	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_206	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_206	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_206	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_206	Oc1cc(ccc1)O	C108463
PUBCHEM_206	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_206	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_206	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_206	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_206	C1C(c2ccccc2)O1	C96093
PUBCHEM_206	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_206	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_206	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_206	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_206	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_206	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_206	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_206	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_206	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_206	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_206	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_206	Oc1ccccc1Cl	C95578
PUBCHEM_206	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_206	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_206	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_206	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_206	n1cccc2c1cccc2	C91225
PUBCHEM_206	CCN(CC)c1ccccc1	C91667
PUBCHEM_206	Oc1c(C)cccc1	C95487
PUBCHEM_206	c1ccccc1C(=O)C	C98862
PUBCHEM_206	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_206	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_206	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_206	CCNc1cc(C)ccc1	C102272
PUBCHEM_206	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_206	Oc1ccc(C)cc1	C106445
PUBCHEM_206	Nc1ccc(C)cc1	C106490
PUBCHEM_206	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_206	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_206	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_206	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_206	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_206	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_206	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_206	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_206	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_206	Clc1cc(Cl)ccc1	C541731
PUBCHEM_206	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_206	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_206	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_206	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_206	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_206	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_206	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_206	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_206	c1(CCCC)ccccc1	C104518
PUBCHEM_206	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_206	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_206	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_206	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_206	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_206	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_206	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_206	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_206	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_206	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_206	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_206	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_206	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_206	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_206	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_206	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_206	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_206	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_206	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_206	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_206	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_206	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_206	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_206	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_206	Nc1c(OC)cccc1	C90040
PUBCHEM_206	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_206	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_206	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_206	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_206	Cc1ccccc1Cl	C95498
PUBCHEM_206	NC1CCCCC1	C108918
PUBCHEM_206	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_206	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_206	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_206	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_206	Oc1c(cccc1C)C	C576261
PUBCHEM_206	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_206	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_206	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_206	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_206	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_206	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_206	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_206	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_206	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_206	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_206	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_206	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_206	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_206	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_206	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_206	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_206	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_206	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_206	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_206	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_206	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_206	Cc1ccc(Cl)cc1	C106434
PUBCHEM_206	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_206	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_206	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_206	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_206	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_206	Nc1cc(C)ccc1N	C496720
PUBCHEM_206	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_206	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_206	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_206	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_206	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_206	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_206	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_206	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_206	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_206	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_206	N(c1ccccc1)CC	C103695
PUBCHEM_206	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_206	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_206	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_206	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_206	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_206	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_206	Nc1c(N)cccc1	C95545
PUBCHEM_206	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_206	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_206	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_206	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_206	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_206	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_206	Nc1c(cccc1)C	C95534
PUBCHEM_206	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_206	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_206	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_206	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_206	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_206	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_206	Nc1c(cccc1C)C	C87627
PUBCHEM_206	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_206	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_206	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_206	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_206	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_206	N#Cc1cnccc1	C100549
PUBCHEM_206	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_206	Nc1cccc(C)c1	C108441
PUBCHEM_206	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_206	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_206	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_206	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_206	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_206	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_206	Nc1c(CC)cccc1CC	C579668
PUBCHEM_206	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_206	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_206	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_206	Nc1cccc(C)c1N	C2687254
PUBCHEM_206	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_206	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_206	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_206	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_206	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_206	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_206	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_206	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_206	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_206	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_206	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_206	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_206	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_206	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_206	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_206	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_206	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_206	O=Cc1ccccc1C=O	C643798
PUBCHEM_206	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_206	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_206	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_206	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_206	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_206	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_206	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_206	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_206	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_206	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_206	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_206	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_206	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_206	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_206	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_206	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_206	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_206	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_206	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_206	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_206	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_206	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_206	CCCc1ccccc1	C103651
PUBCHEM_206	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_206	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_206	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_206	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_206	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_206	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_206	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_206	CC(C)(C)c1ccccc1	C98066
PUBCHEM_206	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_206	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_206	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_206	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_206	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_206	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_206	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_206	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_206	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_206	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_206	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_206	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_206	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_206	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_206	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_206	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_206	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_206	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_206	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_206	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_206	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_206	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_206	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_206	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_206	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_206	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_206	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_206	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_206	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_206	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_206	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_206	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_206	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_206	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_206	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_206	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_206	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_206	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_206	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_206	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_206	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_206	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_206	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_206	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_206	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_206	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_206	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_206	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_206	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_206	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_206	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_206	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_206	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_206	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_206	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_206	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_206	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_206	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_206	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_206	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_206	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_206	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_206	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_206	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_206	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_206	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_206	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_206	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_206	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_206	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_206	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_206	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_206	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_206	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_206	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_206	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_206	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_206	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_206	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_206	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_206	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_206	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_206	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_206	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_206	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_206	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_206	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_206	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_206	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_206	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_206	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_206	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_206	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_206	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_206	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_206	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_206	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_206	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_206	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_206	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_206	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_206	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_206	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_206	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_206	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_206	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_206	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_206	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_206	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_206	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_206	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_206	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_206	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_206	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_206	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_206	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_206	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_206	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_206	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_206	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_206	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_206	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_206	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_206	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_206	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_206	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_206	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_206	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_206	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_206	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_206	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_206	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_206	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_206	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_206	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_206	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_206	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_206	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_206	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_206	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_206	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_206	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_206	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_206	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_206	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_206	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_206	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_206	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_206	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_206	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_206	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_206	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_206	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_206	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_206	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_206	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_206	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_206	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_206	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_206	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_206	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_206	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_206	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_206	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_206	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_206	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_206	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_206	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_206	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_206	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_206	O=C(OCC)c1ccccc1	C93890
PUBCHEM_206	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_206	NCc1cccc(CN)c1	C1477550
PUBCHEM_206	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_206	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_206	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_206	n1cc(C)ccc1	C108996
PUBCHEM_206	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_206	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_206	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_206	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_206	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_206	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_206	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_206	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_206	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_206	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_206	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_206	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_206	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_206	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_206	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_206	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_206	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_206	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_206	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_206	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_206	NNc1ccccc1.Cl	C59881
PUBCHEM_206	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_206	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_206	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_206	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_206	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_206	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_206	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_206	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_206	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_206	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_206	N#Cc1ccccc1	C100470
PUBCHEM_206	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_206	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_206	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_206	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_206	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_206	Nc1ccc(Br)cc1	C106401
PUBCHEM_206	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_206	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_206	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_206	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_206	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_206	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_206	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_206	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_206	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_206	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_206	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_206	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_206	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_206	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_206	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_206	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_206	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_206	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_206	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_206	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_206	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_206	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_206	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_206	Nc1ccc(OC)cc1	C104949
PUBCHEM_206	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_206	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_206	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_206	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_206	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_206	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_206	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_206	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_206	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_206	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_206	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_206	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_206	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_206	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_206	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_206	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_206	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_206	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_206	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_206	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_206	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_206	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_206	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_206	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_206	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_206	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_206	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_206	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_206	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_206	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_206	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_206	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_206	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_206	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_206	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_206	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_206	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_206	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_206	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_206	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_206	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_206	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_206	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_206	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_206	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_206	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_206	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_206	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_206	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_206	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_206	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_206	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_206	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_206	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_206	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_206	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_206	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_206	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_206	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_206	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_206	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_206	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_206	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_206	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_206	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_206	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_206	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_206	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_206	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_206	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_206	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_206	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_206	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_206	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_206	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_206	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_206	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_206	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_206	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_206	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_206	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_206	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_206	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_206	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_206	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_206	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_206	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_206	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_206	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_206	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_206	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_206	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_206	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_206	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_206	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_206	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_206	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_206	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_206	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_206	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_206	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_206	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_206	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_206	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_206	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_206	Cl[Hg]c1ccccc1	C100561
PUBCHEM_206	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_206	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_206	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_206	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_206	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_206	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_206	O=[As]c1ccccc1	C637036
PUBCHEM_206	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_206	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_206	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_206	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_206	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_206	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_206	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_206	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_206	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_206	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_206	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_206	O=CN1CCCCC1	C2591868
PUBCHEM_206	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_206	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_206	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_206	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_206	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_206	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_206	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_206	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_206	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_206	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_206	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_206	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_206	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_206	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_206	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_206	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_206	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_206	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_206	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_206	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_206	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_206	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_206	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_206	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_206	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_206	Nc1cccc(C)n1	C1824813
PUBCHEM_206	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_206	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_206	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_206	CC1COc2ccccc2N1	C32329207
PUBCHEM_206	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_206	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_206	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_206	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_206	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_206	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_206	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_206	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_206	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_206	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_206	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_206	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_206	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_206	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_206	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_206	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_206	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_206	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_206	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_206	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_206	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_206	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_206	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_206	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_206	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_206	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_206	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_206	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_206	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_206	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_206	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_206	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_206	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_206	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_206	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_206	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_207	Nc1ccccc1.Cl	C142041
PUBCHEM_207	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_207	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_207	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_207	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_207	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_207	CC(=O)OCc1ccccc1	C140114
PUBCHEM_207	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_207	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_207	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_207	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_207	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_207	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_207	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_207	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_207	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_207	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_207	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_207	O=C1CCCCC1	C108941
PUBCHEM_207	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_207	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_207	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_207	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_207	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_207	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_207	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_207	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_207	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_207	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_207	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_207	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_207	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_207	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_207	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_207	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_207	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_207	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_207	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_207	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_207	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_207	c1cccc2[nH]ccc12	C120729
PUBCHEM_207	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_207	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_207	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_207	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_207	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_207	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_207	COc1ccc(cc1)O	C150765
PUBCHEM_207	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_207	C=Cc1ccc(cc1)C	C622979
PUBCHEM_207	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_207	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_207	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_207	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_207	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_207	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_207	Nc1ccc(cc1)N	C106503
PUBCHEM_207	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_207	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_207	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_207	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_207	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_207	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_207	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_207	Nc1ccccc1C.Cl	C636215
PUBCHEM_207	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_207	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_207	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_207	O=CCc1ccccc1	C122781
PUBCHEM_207	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_207	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_207	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_207	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_207	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_207	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_207	O=Cc1ccccc1O	C90028
PUBCHEM_207	Oc1cccc2ccccc12	C90153
PUBCHEM_207	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_207	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_207	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_207	ON=C1CCCCC1	C100641
PUBCHEM_207	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_207	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_207	Oc1ccc(Cl)cc1	C106489
PUBCHEM_207	C1CCCCC1O	C108930
PUBCHEM_207	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_207	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_207	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_207	Oc1ccc(CC)cc1	C123079
PUBCHEM_207	COc1ccc(OC)cc1	C150787
PUBCHEM_207	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_207	Oc1ccc(CCC)cc1	C645567
PUBCHEM_207	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_207	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_207	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_207	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_207	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_207	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_207	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_207	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_207	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_207	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_207	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_207	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_207	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_207	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_207	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_207	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_207	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_207	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_207	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_207	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_207	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_207	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_207	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_207	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_207	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_207	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_207	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_207	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_207	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_207	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_207	c1(c(CC)cccc1)O	C90006
PUBCHEM_207	c1c(O)cccc1CC	C620177
PUBCHEM_207	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_207	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_207	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_207	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_207	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_207	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_207	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_207	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_207	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_207	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_207	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_207	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_207	c1cccc(OC)c1O	C90051
PUBCHEM_207	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_207	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_207	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_207	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_207	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_207	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_207	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_207	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_207	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_207	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_207	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_207	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_207	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_207	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_207	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_207	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_207	Cc1cc(O)ccc1	C108394
PUBCHEM_207	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_207	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_207	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_207	c1ccc2ncsc2c1	C95169
PUBCHEM_207	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_207	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_207	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_207	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_207	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_207	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_207	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_207	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_207	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_207	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_207	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_207	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_207	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_207	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_207	Cc1c(C)cccc1O	C526750
PUBCHEM_207	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_207	C=Cc1ccccc1C=C	C1321740
PUBCHEM_207	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_207	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_207	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_207	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_207	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_207	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_207	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_207	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_207	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_207	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_207	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_207	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_207	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_207	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_207	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_207	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_207	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_207	c12ccccc1CCCC2	C119642
PUBCHEM_207	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_207	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_207	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_207	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_207	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_207	Cc1cccc(C)c1	C108383
PUBCHEM_207	OCCc1ccccc1	C60128
PUBCHEM_207	O=C(O)c1ccccc1O	C69727
PUBCHEM_207	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_207	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_207	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_207	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_207	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_207	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_207	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_207	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_207	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_207	Sc1ccccc1	C108985
PUBCHEM_207	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_207	Oc1ccc2ccccc2c1	C135193
PUBCHEM_207	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_207	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_207	Brc1ccc(F)cc1	C460004
PUBCHEM_207	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_207	ClP(c1ccccc1)Cl	C644973
PUBCHEM_207	OC(C)COc1ccccc1	C770354
PUBCHEM_207	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_207	Nc1cccc(C)c1C	C1300738
PUBCHEM_207	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_207	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_207	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_207	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_207	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_207	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_207	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_207	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_207	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_207	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_207	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_207	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_207	Nc1c(C)cccc1CC	C24549062
PUBCHEM_207	Clc1cccc(C)c1	C25168052
PUBCHEM_207	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_207	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_207	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_207	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_207	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_207	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_207	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_207	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_207	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_207	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_207	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_207	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_207	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_207	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_207	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_207	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_207	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_207	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_207	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_207	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_207	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_207	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_207	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_207	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_207	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_207	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_207	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_207	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_207	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_207	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_207	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_207	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_207	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_207	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_207	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_207	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_207	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_207	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_207	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_207	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_207	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_207	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_207	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_207	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_207	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_207	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_207	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_207	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_207	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_207	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_207	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_207	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_207	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_207	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_207	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_207	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_207	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_207	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_207	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_207	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_207	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_207	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_207	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_207	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_207	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_207	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_207	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_207	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_207	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_207	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_207	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_207	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_207	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_207	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_207	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_207	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_207	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_207	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_207	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_207	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_207	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_207	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_207	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_207	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_207	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_207	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_207	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_207	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_207	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_207	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_207	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_207	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_207	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_207	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_207	O=C(c1ccccc1O)C	C118934
PUBCHEM_207	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_207	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_207	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_207	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_207	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_207	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_207	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_207	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_207	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_207	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_207	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_207	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_207	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_207	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_207	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_207	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_207	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_207	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_207	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_207	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_207	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_207	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_207	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_207	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_207	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_207	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_207	Oc1ccccc1CN(C)C	C120650
PUBCHEM_207	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_207	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_207	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_207	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_207	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_207	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_207	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_207	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_207	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_207	OCC=Cc1ccccc1	C104541
PUBCHEM_207	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_207	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_207	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_207	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_207	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_207	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_207	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_207	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_207	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_207	N#Cc1c(O)cccc1	C611201
PUBCHEM_207	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_207	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_207	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_207	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_207	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_207	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_207	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_207	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_207	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_207	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_207	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_207	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_207	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_207	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_207	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_207	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_207	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_207	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_207	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_207	c12ccccc1CC=C2	C95136
PUBCHEM_207	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_207	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_207	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_207	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_207	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_207	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_207	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_207	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_207	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_207	Oc1c(OCC)cccc1	C94713
PUBCHEM_207	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_207	COc1ccc(CCC)cc1	C104450
PUBCHEM_207	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_207	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_207	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_207	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_207	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_207	OC(CO)c1ccccc1	C93561
PUBCHEM_207	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_207	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_207	O=C(N)Nc1ccccc1	C64108
PUBCHEM_207	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_207	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_207	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_207	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_207	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_207	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_207	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_207	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_207	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_207	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_207	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_207	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_207	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_207	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_207	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_207	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_207	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_207	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_207	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_207	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_207	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_207	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_207	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_207	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_207	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_207	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_207	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_207	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_207	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_207	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_207	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_207	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_207	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_207	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_207	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_207	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_207	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_207	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_207	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_207	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_207	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_207	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_207	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_207	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_207	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_207	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_207	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_207	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_207	Sc1ccc(C)cc1	C106456
PUBCHEM_207	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_207	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_207	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_207	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_207	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_207	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_207	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_207	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_207	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_207	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_207	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_207	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_207	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_207	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_207	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_207	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_207	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_207	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_207	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_207	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_207	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_207	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_207	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_207	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_207	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_207	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_207	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_207	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_207	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_207	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_207	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_207	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_207	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_207	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_207	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_207	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_207	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_207	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_207	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_207	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_207	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_207	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_207	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_207	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_207	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_207	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_207	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_207	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_207	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_207	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_207	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_207	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_207	c1ccccc1OCCO	C122996
PUBCHEM_207	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_207	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_207	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_207	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_207	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_207	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_207	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_207	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_207	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_207	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_207	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_207	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_207	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_207	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_207	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_207	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_207	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_207	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_207	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_207	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_207	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_207	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_207	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_207	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_207	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_207	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_207	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_207	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_207	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_207	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_207	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_207	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_207	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_207	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_207	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_207	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_207	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_207	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_207	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_207	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_207	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_207	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_207	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_207	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_207	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_207	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_207	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_207	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_207	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_207	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_207	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_207	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_207	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_207	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_207	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_207	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_207	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_207	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_207	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_207	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_207	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_207	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_207	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_207	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_207	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_207	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_207	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_207	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_207	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_207	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_207	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_207	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_207	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_207	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_207	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_207	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_207	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_207	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_207	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_207	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_207	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_207	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_207	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_207	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_207	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_207	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_207	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_207	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_207	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_207	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_207	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_207	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_207	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_207	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_207	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_207	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_207	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_207	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_207	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_207	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_207	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_207	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_207	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_207	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_207	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_207	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_207	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_207	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_207	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_207	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_207	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_207	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_207	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_207	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_207	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_207	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_207	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_207	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_207	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_207	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_207	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_207	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_207	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_207	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_207	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_207	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_207	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_207	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_207	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_207	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_207	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_207	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_207	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_207	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_207	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_207	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_207	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_207	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_207	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_207	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_207	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_207	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_207	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_207	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_207	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_207	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_207	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_207	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_207	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_207	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_207	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_207	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_207	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_207	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_207	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_207	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_207	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_207	c1coc2c1cccc2	C271896
PUBCHEM_207	OC(=O)c1ccccc1	C65850
PUBCHEM_207	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_207	OCc1ccccc1	C100516
PUBCHEM_207	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_207	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_207	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_207	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_207	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_207	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_207	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_207	Oc1c(cccc1)O	C120809
PUBCHEM_207	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_207	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_207	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_207	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_207	O=C(c1ccccc1)CCl	C532274
PUBCHEM_207	Nc1ccc(cc1)Cl	C106478
PUBCHEM_207	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_207	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_207	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_207	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_207	Nc1cc(ccc1OC)C	C120718
PUBCHEM_207	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_207	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_207	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_207	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_207	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_207	Clc1c(cccc1)Cl	C95501
PUBCHEM_207	Clc1ccc(cc1)Cl	C106467
PUBCHEM_207	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_207	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_207	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_207	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_207	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_207	CN(c1ccccc1)C	C121697
PUBCHEM_207	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_207	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_207	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_207	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_207	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_207	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_207	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_207	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_207	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_207	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_207	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_207	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_207	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_207	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_207	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_207	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_207	Oc1ccc(cc1)O	C123319
PUBCHEM_207	Oc1cccc2cccnc12	C148243
PUBCHEM_207	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_207	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_207	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_207	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_207	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_207	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_207	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_207	Cc1cc2cccnc2cc1	C91623
PUBCHEM_207	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_207	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_207	c1c2c(ccc1)cccc2	C91203
PUBCHEM_207	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_207	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_207	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_207	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_207	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_207	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_207	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_207	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_207	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_207	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_207	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_207	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_207	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_207	Oc1ccccc1	C108952
PUBCHEM_207	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_207	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_207	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_207	Nc1cc(ccc1)N	C108452
PUBCHEM_207	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_207	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_207	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_207	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_207	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_207	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_207	Oc1cc(ccc1)O	C108463
PUBCHEM_207	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_207	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_207	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_207	C1C(c2ccccc2)O1	C96093
PUBCHEM_207	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_207	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_207	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_207	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_207	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_207	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_207	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_207	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_207	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_207	Oc1ccccc1Cl	C95578
PUBCHEM_207	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_207	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_207	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_207	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_207	n1cccc2c1cccc2	C91225
PUBCHEM_207	CCN(CC)c1ccccc1	C91667
PUBCHEM_207	Oc1c(C)cccc1	C95487
PUBCHEM_207	c1ccccc1C(=O)C	C98862
PUBCHEM_207	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_207	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_207	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_207	CCNc1cc(C)ccc1	C102272
PUBCHEM_207	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_207	Oc1ccc(C)cc1	C106445
PUBCHEM_207	Nc1ccc(C)cc1	C106490
PUBCHEM_207	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_207	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_207	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_207	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_207	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_207	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_207	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_207	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_207	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_207	Clc1cc(Cl)ccc1	C541731
PUBCHEM_207	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_207	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_207	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_207	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_207	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_207	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_207	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_207	c1(CCCC)ccccc1	C104518
PUBCHEM_207	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_207	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_207	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_207	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_207	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_207	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_207	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_207	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_207	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_207	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_207	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_207	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_207	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_207	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_207	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_207	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_207	Nc1c(OC)cccc1	C90040
PUBCHEM_207	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_207	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_207	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_207	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_207	Cc1ccccc1Cl	C95498
PUBCHEM_207	NC1CCCCC1	C108918
PUBCHEM_207	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_207	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_207	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_207	Oc1c(cccc1C)C	C576261
PUBCHEM_207	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_207	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_207	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_207	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_207	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_207	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_207	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_207	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_207	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_207	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_207	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_207	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_207	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_207	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_207	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_207	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_207	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_207	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_207	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_207	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_207	Cc1ccc(Cl)cc1	C106434
PUBCHEM_207	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_207	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_207	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_207	Nc1cc(C)ccc1N	C496720
PUBCHEM_207	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_207	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_207	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_207	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_207	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_207	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_207	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_207	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_207	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_207	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_207	N(c1ccccc1)CC	C103695
PUBCHEM_207	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_207	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_207	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_207	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_207	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_207	Nc1c(N)cccc1	C95545
PUBCHEM_207	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_207	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_207	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_207	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_207	Nc1c(cccc1)C	C95534
PUBCHEM_207	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_207	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_207	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_207	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_207	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_207	Nc1c(cccc1C)C	C87627
PUBCHEM_207	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_207	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_207	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_207	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_207	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_207	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_207	Nc1cccc(C)c1	C108441
PUBCHEM_207	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_207	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_207	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_207	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_207	Nc1c(CC)cccc1CC	C579668
PUBCHEM_207	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_207	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_207	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_207	Nc1cccc(C)c1N	C2687254
PUBCHEM_207	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_207	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_207	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_207	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_207	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_207	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_207	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_207	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_207	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_207	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_207	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_207	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_207	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_207	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_207	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_207	O=Cc1ccccc1C=O	C643798
PUBCHEM_207	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_207	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_207	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_207	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_207	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_207	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_207	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_207	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_207	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_207	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_207	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_207	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_207	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_207	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_207	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_207	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_207	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_207	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_207	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_207	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_207	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_207	CCCc1ccccc1	C103651
PUBCHEM_207	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_207	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_207	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_207	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_207	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_207	CC(C)(C)c1ccccc1	C98066
PUBCHEM_207	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_207	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_207	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_207	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_207	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_207	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_207	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_207	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_207	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_207	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_207	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_207	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_207	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_207	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_207	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_207	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_207	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_207	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_207	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_207	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_207	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_207	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_207	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_207	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_207	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_207	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_207	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_207	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_207	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_207	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_207	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_207	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_207	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_207	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_207	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_207	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_207	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_207	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_207	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_207	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_207	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_207	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_207	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_207	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_207	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_207	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_207	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_207	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_207	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_207	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_207	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_207	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_207	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_207	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_207	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_207	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_207	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_207	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_207	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_207	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_207	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_207	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_207	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_207	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_207	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_207	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_207	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_207	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_207	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_207	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_207	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_207	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_207	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_207	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_207	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_207	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_207	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_207	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_207	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_207	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_207	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_207	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_207	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_207	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_207	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_207	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_207	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_207	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_207	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_207	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_207	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_207	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_207	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_207	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_207	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_207	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_207	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_207	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_207	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_207	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_207	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_207	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_207	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_207	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_207	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_207	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_207	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_207	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_207	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_207	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_207	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_207	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_207	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_207	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_207	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_207	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_207	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_207	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_207	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_207	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_207	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_207	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_207	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_207	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_207	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_207	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_207	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_207	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_207	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_207	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_207	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_207	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_207	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_207	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_207	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_207	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_207	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_207	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_207	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_207	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_207	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_207	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_207	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_207	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_207	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_207	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_207	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_207	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_207	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_207	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_207	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_207	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_207	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_207	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_207	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_207	O=C(OCC)c1ccccc1	C93890
PUBCHEM_207	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_207	NCc1cccc(CN)c1	C1477550
PUBCHEM_207	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_207	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_207	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_207	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_207	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_207	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_207	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_207	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_207	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_207	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_207	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_207	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_207	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_207	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_207	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_207	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_207	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_207	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_207	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_207	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_207	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_207	NNc1ccccc1.Cl	C59881
PUBCHEM_207	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_207	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_207	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_207	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_207	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_207	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_207	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_207	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_207	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_207	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_207	N#Cc1ccccc1	C100470
PUBCHEM_207	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_207	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_207	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_207	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_207	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_207	Nc1ccc(Br)cc1	C106401
PUBCHEM_207	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_207	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_207	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_207	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_207	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_207	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_207	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_207	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_207	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_207	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_207	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_207	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_207	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_207	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_207	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_207	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_207	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_207	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_207	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_207	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_207	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_207	Nc1ccc(OC)cc1	C104949
PUBCHEM_207	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_207	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_207	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_207	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_207	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_207	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_207	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_207	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_207	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_207	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_207	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_207	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_207	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_207	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_207	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_207	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_207	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_207	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_207	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_207	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_207	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_207	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_207	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_207	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_207	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_207	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_207	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_207	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_207	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_207	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_207	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_207	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_207	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_207	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_207	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_207	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_207	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_207	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_207	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_207	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_207	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_207	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_207	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_207	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_207	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_207	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_207	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_207	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_207	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_207	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_207	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_207	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_207	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_207	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_207	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_207	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_207	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_207	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_207	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_207	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_207	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_207	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_207	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_207	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_207	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_207	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_207	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_207	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_207	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_207	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_207	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_207	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_207	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_207	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_207	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_207	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_207	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_207	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_207	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_207	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_207	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_207	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_207	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_207	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_207	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_207	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_207	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_207	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_207	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_207	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_207	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_207	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_207	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_207	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_207	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_207	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_207	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_207	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_207	Cl[Hg]c1ccccc1	C100561
PUBCHEM_207	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_207	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_207	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_207	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_207	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_207	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_207	O=[As]c1ccccc1	C637036
PUBCHEM_207	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_207	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_207	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_207	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_207	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_207	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_207	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_207	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_207	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_207	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_207	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_207	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_207	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_207	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_207	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_207	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_207	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_207	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_207	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_207	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_207	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_207	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_207	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_207	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_207	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_207	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_207	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_207	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_207	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_207	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_207	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_207	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_207	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_207	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_207	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_207	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_207	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_207	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_207	CC1COc2ccccc2N1	C32329207
PUBCHEM_207	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_207	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_207	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_207	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_207	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_207	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_207	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_207	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_207	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_207	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_207	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_207	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_207	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_207	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_207	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_207	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_207	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_207	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_207	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_207	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_207	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_207	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_207	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_207	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_207	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_207	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_207	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_207	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_207	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_207	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_207	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_208	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_208	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_208	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_208	NC(=O)c1cccnc1	C98920
PUBCHEM_208	OC(=O)c1cccnc1	C59676
PUBCHEM_208	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_208	OCCN1CCNCC1	C103764
PUBCHEM_208	NCCN1CCNCC1	C140318
PUBCHEM_208	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_208	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_208	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_208	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_208	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_208	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_208	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_208	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_208	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_208	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_208	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_208	C1COCCN1	C110918
PUBCHEM_208	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_208	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_208	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_208	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_208	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_208	CN1CCOCC1	C109024
PUBCHEM_208	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_208	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_208	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_208	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_208	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_208	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_208	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_208	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_208	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_208	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_208	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_208	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_208	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_208	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_208	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_208	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_208	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_208	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_208	NCCCN1CCOCC1	C123002
PUBCHEM_208	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_208	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_208	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_208	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_208	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_208	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_208	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_208	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_208	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_208	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_208	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_208	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_208	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_208	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_208	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_208	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_208	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_208	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_208	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_208	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_208	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_208	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_208	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_208	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_208	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_208	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_208	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_208	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_208	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_208	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_208	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_208	CN1CN(C)CSC1=S	C533744
PUBCHEM_208	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_208	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_208	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_208	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_208	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_208	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_208	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_208	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_208	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_208	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_208	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_208	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_208	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_208	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_208	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_208	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_208	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_208	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_208	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_208	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_208	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_208	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_208	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_208	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_208	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_208	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_208	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_208	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_208	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_208	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_208	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_208	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_208	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_208	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_208	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_208	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_208	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_208	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_208	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_208	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_208	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_208	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_208	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_208	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_208	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_208	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_208	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_208	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_208	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_208	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_208	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_208	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_208	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_208	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_208	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_208	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_208	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_208	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_208	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_208	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_208	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_208	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_208	Oc1cccc2cccnc12	C148243
PUBCHEM_208	O=C(c1ccncc1)NN	C54853
PUBCHEM_208	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_208	Cc1cc2cccnc2cc1	C91623
PUBCHEM_208	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_208	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_208	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_208	C1CNCCN1	C110850
PUBCHEM_208	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_208	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_208	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_208	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_208	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_208	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_208	n1cccc2c1cccc2	C91225
PUBCHEM_208	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_208	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_208	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_208	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_208	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_208	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_208	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_208	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_208	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_208	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_208	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_208	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_208	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_208	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_208	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_208	N#Cc1cnccc1	C100549
PUBCHEM_208	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_208	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_208	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_208	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_208	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_208	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_208	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_208	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_208	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_208	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_208	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_208	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_208	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_208	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_208	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_208	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_208	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_208	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_208	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_208	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_208	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_208	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_208	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_208	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_208	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_208	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_208	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_208	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_208	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_208	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_208	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_208	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_208	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_208	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_208	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_208	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_208	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_208	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_208	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_208	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_208	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_208	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_208	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_208	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_208	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_208	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_208	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_208	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_208	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_208	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_208	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_208	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_208	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_208	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_208	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_208	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_208	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_208	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_208	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_208	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_208	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_208	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_208	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_208	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_208	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_208	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_208	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_208	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_208	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_208	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_208	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_208	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_208	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_208	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_208	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_208	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_208	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_208	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_208	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_208	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_208	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_208	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_208	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_208	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_208	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_208	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_208	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_208	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_208	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_208	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_208	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_208	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_208	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_208	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_208	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_208	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_208	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_208	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_208	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_208	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_208	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_208	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_208	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_208	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_208	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_208	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_208	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_208	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_208	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_208	n1cc(C)ccc1	C108996
PUBCHEM_208	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_208	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_208	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_208	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_208	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_208	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_208	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_208	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_208	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_208	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_208	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_208	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_208	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_208	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_208	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_208	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_208	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_208	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_208	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_208	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_208	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_208	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_208	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_208	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_208	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_208	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_208	O=CN1CCCCC1	C2591868
PUBCHEM_208	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_208	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_208	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_208	Nc1cccc(C)n1	C1824813
PUBCHEM_208	CC1COc2ccccc2N1	C32329207
PUBCHEM_208	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_208	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_208	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_208	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_208	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_208	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_208	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_209	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_209	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_209	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_209	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_209	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_209	NC(=O)c1cccnc1	C98920
PUBCHEM_209	OC(=O)c1cccnc1	C59676
PUBCHEM_209	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_209	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_209	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_209	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_209	OCCN1CCNCC1	C103764
PUBCHEM_209	NCCN1CCNCC1	C140318
PUBCHEM_209	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_209	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_209	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_209	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_209	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_209	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_209	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_209	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_209	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_209	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_209	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_209	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_209	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_209	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_209	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_209	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_209	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_209	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_209	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_209	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_209	C1COCCN1	C110918
PUBCHEM_209	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_209	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_209	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_209	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_209	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_209	CN1CCOCC1	C109024
PUBCHEM_209	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_209	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_209	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_209	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_209	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_209	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_209	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_209	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_209	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_209	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_209	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_209	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_209	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_209	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_209	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_209	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_209	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_209	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_209	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_209	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_209	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_209	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_209	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_209	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_209	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_209	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_209	NCCCN1CCOCC1	C123002
PUBCHEM_209	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_209	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_209	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_209	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_209	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_209	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_209	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_209	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_209	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_209	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_209	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_209	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_209	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_209	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_209	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_209	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_209	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_209	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_209	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_209	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_209	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_209	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_209	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_209	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_209	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_209	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_209	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_209	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_209	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_209	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_209	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_209	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_209	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_209	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_209	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_209	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_209	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_209	CN1CN(C)CSC1=S	C533744
PUBCHEM_209	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_209	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_209	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_209	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_209	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_209	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_209	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_209	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_209	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_209	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_209	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_209	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_209	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_209	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_209	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_209	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_209	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_209	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_209	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_209	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_209	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_209	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_209	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_209	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_209	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_209	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_209	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_209	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_209	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_209	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_209	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_209	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_209	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_209	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_209	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_209	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_209	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_209	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_209	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_209	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_209	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_209	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_209	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_209	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_209	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_209	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_209	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_209	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_209	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_209	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_209	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_209	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_209	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_209	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_209	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_209	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_209	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_209	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_209	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_209	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_209	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_209	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_209	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_209	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_209	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_209	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_209	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_209	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_209	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_209	Oc1cccc2cccnc12	C148243
PUBCHEM_209	O=C(c1ccncc1)NN	C54853
PUBCHEM_209	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_209	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_209	Cc1cc2cccnc2cc1	C91623
PUBCHEM_209	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_209	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_209	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_209	C1CNCCN1	C110850
PUBCHEM_209	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_209	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_209	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_209	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_209	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_209	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_209	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_209	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_209	n1cccc2c1cccc2	C91225
PUBCHEM_209	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_209	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_209	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_209	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_209	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_209	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_209	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_209	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_209	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_209	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_209	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_209	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_209	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_209	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_209	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_209	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_209	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_209	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_209	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_209	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_209	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_209	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_209	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_209	N#Cc1cnccc1	C100549
PUBCHEM_209	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_209	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_209	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_209	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_209	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_209	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_209	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_209	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_209	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_209	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_209	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_209	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_209	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_209	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_209	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_209	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_209	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_209	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_209	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_209	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_209	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_209	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_209	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_209	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_209	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_209	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_209	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_209	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_209	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_209	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_209	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_209	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_209	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_209	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_209	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_209	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_209	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_209	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_209	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_209	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_209	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_209	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_209	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_209	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_209	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_209	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_209	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_209	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_209	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_209	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_209	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_209	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_209	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_209	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_209	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_209	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_209	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_209	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_209	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_209	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_209	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_209	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_209	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_209	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_209	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_209	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_209	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_209	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_209	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_209	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_209	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_209	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_209	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_209	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_209	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_209	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_209	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_209	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_209	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_209	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_209	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_209	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_209	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_209	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_209	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_209	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_209	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_209	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_209	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_209	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_209	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_209	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_209	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_209	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_209	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_209	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_209	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_209	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_209	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_209	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_209	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_209	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_209	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_209	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_209	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_209	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_209	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_209	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_209	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_209	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_209	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_209	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_209	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_209	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_209	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_209	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_209	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_209	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_209	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_209	n1cc(C)ccc1	C108996
PUBCHEM_209	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_209	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_209	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_209	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_209	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_209	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_209	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_209	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_209	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_209	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_209	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_209	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_209	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_209	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_209	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_209	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_209	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_209	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_209	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_209	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_209	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_209	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_209	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_209	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_209	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_209	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_209	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_209	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_209	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_209	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_209	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_209	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_209	O=CN1CCCCC1	C2591868
PUBCHEM_209	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_209	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_209	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_209	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_209	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_209	Nc1cccc(C)n1	C1824813
PUBCHEM_209	CC1COc2ccccc2N1	C32329207
PUBCHEM_209	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_209	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_209	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_209	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_209	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_209	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_209	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_209	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_213	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_213	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_213	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_213	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_213	N1CCCCCC1	C111499
PUBCHEM_213	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_213	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_213	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_213	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_213	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_213	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_213	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_213	O=C1CCCCCN1	C105602
PUBCHEM_213	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_213	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_213	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_213	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_213	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_213	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_213	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_213	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_213	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_213	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_213	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_213	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_213	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_213	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_213	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_213	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_213	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_213	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_213	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_213	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_213	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_213	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_213	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_213	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_213	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_213	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_213	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_213	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_213	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_213	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_214	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_214	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_214	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_214	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_214	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_214	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_214	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_214	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_214	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_215	N1CCCCCC1	C111499
PUBCHEM_215	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_215	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_215	O=C1CCCCCN1	C105602
PUBCHEM_215	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_215	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_215	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_215	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_215	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_215	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_215	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_215	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_215	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_215	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_215	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_215	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_215	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_215	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_215	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_216	N1CCCCCC1	C111499
PUBCHEM_216	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_216	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_216	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_216	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_216	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_216	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_216	O=C1CCCCCN1	C105602
PUBCHEM_216	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_216	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_216	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_216	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_216	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_216	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_216	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_216	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_216	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_216	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_216	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_216	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_216	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_216	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_216	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_216	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_216	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_216	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_220	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_220	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_220	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_220	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_220	N1CCCCCC1	C111499
PUBCHEM_220	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_220	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_220	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_220	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_220	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_220	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_220	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_220	O=C1CCCCCN1	C105602
PUBCHEM_220	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_220	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_220	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_220	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_220	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_220	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_220	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_220	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_220	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_220	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_220	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_220	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_220	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_220	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_220	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_220	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_220	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_220	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_220	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_220	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_220	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_220	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_220	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_220	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_220	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_220	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_220	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_220	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_220	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_220	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_221	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_221	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_221	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_221	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_221	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_221	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_221	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_221	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_221	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_222	N1CCCCCC1	C111499
PUBCHEM_222	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_222	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_222	O=C1CCCCCN1	C105602
PUBCHEM_222	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_222	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_222	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_222	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_222	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_222	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_222	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_222	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_222	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_222	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_222	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_222	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_222	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_222	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_222	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_223	N1CCCCCC1	C111499
PUBCHEM_223	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_223	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_223	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_223	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_223	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_223	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_223	O=C1CCCCCN1	C105602
PUBCHEM_223	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_223	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_223	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_223	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_223	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_223	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_223	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_223	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_223	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_223	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_223	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_223	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_223	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_223	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_223	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_223	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_223	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_223	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_227	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_227	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_227	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_227	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_227	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_227	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_227	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_227	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_227	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_227	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_227	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_227	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_227	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_227	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_227	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_227	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_227	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_227	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_227	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_227	CCC12N(COC1)COC2	C7747355
PUBCHEM_227	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_227	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_227	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_227	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_227	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_228	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_228	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_228	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_228	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_228	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_228	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_228	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_228	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_228	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_229	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_229	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_229	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_229	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_229	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_229	CCC12N(COC1)COC2	C7747355
PUBCHEM_229	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_230	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_230	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_230	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_230	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_230	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_230	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_230	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_230	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_230	CCC12N(COC1)COC2	C7747355
PUBCHEM_230	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_230	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_230	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_234	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_234	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_234	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_234	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_234	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_234	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_234	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_234	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_234	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_234	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_234	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_234	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_234	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_234	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_234	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_234	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_234	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_234	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_234	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_234	CCC12N(COC1)COC2	C7747355
PUBCHEM_234	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_234	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_234	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_234	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_234	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_235	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_235	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_235	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_235	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_235	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_235	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_235	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_235	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_235	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_236	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_236	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_236	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_236	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_236	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_236	CCC12N(COC1)COC2	C7747355
PUBCHEM_236	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_237	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_237	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_237	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_237	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_237	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_237	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_237	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_237	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_237	CCC12N(COC1)COC2	C7747355
PUBCHEM_237	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_237	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_237	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_241	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_241	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_241	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_241	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_241	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_241	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_241	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_241	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_241	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_241	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_241	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_241	c1cccc2[nH]ccc12	C120729
PUBCHEM_241	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_241	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_241	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_241	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_241	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_241	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_241	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_241	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_241	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_241	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_241	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_241	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_241	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_241	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_241	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_241	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_241	c1ccc2ncsc2c1	C95169
PUBCHEM_241	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_241	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_241	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_241	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_241	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_241	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_241	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_241	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_241	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_241	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_241	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_241	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_241	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_241	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_241	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_241	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_241	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_241	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_241	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_241	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_241	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_241	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_241	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_241	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_241	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_241	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_241	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_241	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_241	c12ccccc1CC=C2	C95136
PUBCHEM_241	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_241	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_241	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_241	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_241	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_241	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_241	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_241	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_241	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_241	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_241	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_241	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_241	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_241	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_241	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_241	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_241	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_241	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_241	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_241	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_241	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_241	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_241	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_241	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_241	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_241	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_241	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_241	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_241	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_241	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_241	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_241	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_241	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_241	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_241	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_241	c1coc2c1cccc2	C271896
PUBCHEM_241	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_241	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_241	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_241	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_241	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_241	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_241	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_241	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_241	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_241	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_241	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_241	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_241	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_241	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_241	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_241	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_241	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_241	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_241	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_241	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_241	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_241	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_241	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_241	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_241	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_241	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_241	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_241	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_241	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_241	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_241	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_241	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_241	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_241	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_241	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_241	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_241	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_241	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_241	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_241	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_241	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_241	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_241	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_241	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_241	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_241	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_241	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_241	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_241	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_241	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_241	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_241	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_241	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_241	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_241	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_241	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_241	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_241	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_241	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_241	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_241	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_241	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_241	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_241	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_241	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_241	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_241	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_241	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_241	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_241	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_241	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_241	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_241	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_241	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_241	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_241	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_241	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_241	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_241	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_241	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_241	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_241	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_241	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_241	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_241	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_241	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_241	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_241	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_241	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_241	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_241	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_241	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_241	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_241	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_241	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_241	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_241	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_241	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_241	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_241	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_241	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_241	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_241	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_241	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_241	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_241	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_241	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_241	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_241	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_241	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_241	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_241	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_241	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_241	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_241	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_241	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_241	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_241	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_241	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_241	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_241	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_241	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_241	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_241	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_241	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_241	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_241	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_241	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_241	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_241	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_241	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_241	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_241	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_241	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_242	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_242	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_242	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_242	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_242	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_242	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_242	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_242	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_242	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_242	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_242	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_242	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_242	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_242	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_242	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_242	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_242	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_242	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_242	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_242	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_242	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_242	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_242	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_242	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_242	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_242	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_242	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_242	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_242	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_242	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_242	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_242	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_242	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_242	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_242	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_242	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_242	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_242	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_242	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_242	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_242	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_242	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_242	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_242	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_242	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_242	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_242	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_242	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_242	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_242	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_242	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_242	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_242	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_242	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_242	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_242	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_242	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_242	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_242	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_242	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_242	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_242	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_242	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_242	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_242	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_243	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_243	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_243	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_243	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_243	c1cccc2[nH]ccc12	C120729
PUBCHEM_243	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_243	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_243	c1ccc2ncsc2c1	C95169
PUBCHEM_243	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_243	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_243	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_243	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_243	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_243	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_243	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_243	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_243	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_243	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_243	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_243	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_243	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_243	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_243	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_243	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_243	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_243	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_243	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_243	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_243	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_243	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_243	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_243	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_243	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_243	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_243	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_243	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_243	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_243	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_243	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_243	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_243	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_243	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_243	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_243	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_243	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_243	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_243	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_243	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_243	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_243	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_243	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_243	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_243	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_243	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_243	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_243	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_243	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_243	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_243	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_243	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_243	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_243	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_243	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_243	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_243	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_243	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_243	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_243	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_243	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_243	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_243	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_243	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_243	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_243	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_243	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_243	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_243	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_243	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_243	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_243	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_243	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_243	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_243	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_243	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_243	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_243	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_243	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_243	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_243	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_243	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_243	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_243	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_243	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_243	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_243	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_243	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_243	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_243	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_243	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_243	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_243	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_243	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_243	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_244	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_244	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_244	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_244	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_244	c1cccc2[nH]ccc12	C120729
PUBCHEM_244	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_244	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_244	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_244	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_244	c1ccc2ncsc2c1	C95169
PUBCHEM_244	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_244	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_244	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_244	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_244	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_244	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_244	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_244	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_244	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_244	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_244	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_244	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_244	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_244	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_244	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_244	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_244	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_244	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_244	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_244	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_244	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_244	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_244	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_244	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_244	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_244	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_244	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_244	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_244	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_244	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_244	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_244	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_244	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_244	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_244	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_244	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_244	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_244	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_244	c1coc2c1cccc2	C271896
PUBCHEM_244	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_244	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_244	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_244	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_244	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_244	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_244	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_244	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_244	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_244	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_244	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_244	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_244	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_244	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_244	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_244	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_244	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_244	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_244	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_244	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_244	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_244	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_244	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_244	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_244	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_244	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_244	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_244	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_244	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_244	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_244	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_244	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_244	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_244	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_244	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_244	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_244	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_244	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_244	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_244	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_244	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_244	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_244	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_244	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_244	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_244	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_244	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_244	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_244	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_244	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_244	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_244	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_244	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_244	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_244	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_244	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_244	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_244	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_244	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_244	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_244	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_244	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_244	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_244	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_244	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_244	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_244	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_244	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_244	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_244	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_244	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_244	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_244	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_244	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_244	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_244	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_244	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_244	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_244	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_244	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_244	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_244	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_244	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_244	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_244	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_244	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_244	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_244	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_244	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_244	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_244	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_244	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_244	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_244	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_244	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_248	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_248	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_248	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_248	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_248	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_248	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_248	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_248	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_248	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_248	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_248	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_248	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_248	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_248	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_248	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_248	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_248	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_248	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_248	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_248	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_248	Oc1cccc2ccccc12	C90153
PUBCHEM_248	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_248	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_248	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_248	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_248	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_248	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_248	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_248	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_248	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_248	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_248	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_248	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_248	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_248	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_248	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_248	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_248	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_248	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_248	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_248	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_248	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_248	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_248	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_248	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_248	c12ccccc1CCCC2	C119642
PUBCHEM_248	Oc1ccc2ccccc2c1	C135193
PUBCHEM_248	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_248	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_248	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_248	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_248	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_248	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_248	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_248	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_248	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_248	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_248	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_248	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_248	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_248	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_248	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_248	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_248	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_248	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_248	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_248	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_248	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_248	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_248	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_248	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_248	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_248	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_248	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_248	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_248	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_248	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_248	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_248	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_248	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_248	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_248	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_248	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_248	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_248	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_248	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_248	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_248	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_248	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_248	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_248	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_248	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_248	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_248	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_248	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_248	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_248	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_248	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_248	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_248	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_248	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_248	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_248	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_248	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_248	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_248	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_248	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_248	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_248	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_248	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_248	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_248	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_248	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_248	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_248	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_248	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_248	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_248	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_248	Oc1cccc2cccnc12	C148243
PUBCHEM_248	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_248	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_248	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_248	Cc1cc2cccnc2cc1	C91623
PUBCHEM_248	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_248	c1c2c(ccc1)cccc2	C91203
PUBCHEM_248	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_248	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_248	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_248	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_248	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_248	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_248	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_248	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_248	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_248	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_248	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_248	n1cccc2c1cccc2	C91225
PUBCHEM_248	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_248	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_248	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_248	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_248	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_248	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_248	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_248	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_248	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_248	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_248	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_248	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_248	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_248	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_248	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_248	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_248	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_248	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_248	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_248	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_248	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_248	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_248	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_248	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_248	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_248	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_248	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_248	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_248	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_248	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_248	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_248	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_248	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_248	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_248	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_248	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_248	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_248	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_248	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_248	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_248	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_248	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_248	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_248	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_248	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_248	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_248	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_248	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_248	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_248	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_248	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_248	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_248	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_248	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_248	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_248	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_248	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_248	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_248	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_248	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_248	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_248	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_248	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_248	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_248	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_248	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_248	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_248	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_248	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_248	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_248	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_248	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_248	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_248	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_248	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_248	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_248	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_248	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_248	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_248	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_248	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_248	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_248	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_248	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_248	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_248	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_248	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_248	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_248	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_248	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_248	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_248	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_248	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_248	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_248	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_248	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_248	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_248	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_248	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_248	CC1COc2ccccc2N1	C32329207
PUBCHEM_248	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_248	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_248	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_248	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_248	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_249	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_249	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_249	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_249	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_249	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_249	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_249	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_249	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_249	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_249	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_249	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_249	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_249	Oc1cccc2ccccc12	C90153
PUBCHEM_249	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_249	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_249	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_249	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_249	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_249	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_249	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_249	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_249	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_249	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_249	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_249	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_249	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_249	c12ccccc1CCCC2	C119642
PUBCHEM_249	Oc1ccc2ccccc2c1	C135193
PUBCHEM_249	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_249	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_249	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_249	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_249	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_249	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_249	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_249	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_249	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_249	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_249	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_249	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_249	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_249	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_249	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_249	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_249	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_249	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_249	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_249	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_249	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_249	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_249	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_249	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_249	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_249	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_249	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_249	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_249	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_249	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_249	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_249	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_249	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_249	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_249	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_249	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_249	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_249	c1c2c(ccc1)cccc2	C91203
PUBCHEM_249	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_249	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_249	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_249	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_249	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_249	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_249	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_249	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_249	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_249	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_249	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_249	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_249	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_249	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_249	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_249	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_249	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_249	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_249	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_249	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_249	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_249	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_249	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_249	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_249	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_249	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_249	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_249	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_249	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_249	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_249	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_249	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_249	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_249	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_249	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_249	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_249	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_249	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_249	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_249	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_249	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_249	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_249	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_249	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_249	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_249	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_249	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_249	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_249	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_249	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_249	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_249	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_249	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_249	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_249	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_249	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_249	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_250	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_250	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_250	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_250	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_250	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_250	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_250	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_250	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_250	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_250	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_250	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_250	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_250	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_250	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_250	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_250	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_250	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_250	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_250	Oc1cccc2cccnc12	C148243
PUBCHEM_250	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_250	Cc1cc2cccnc2cc1	C91623
PUBCHEM_250	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_250	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_250	n1cccc2c1cccc2	C91225
PUBCHEM_250	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_250	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_250	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_250	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_250	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_250	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_250	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_250	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_250	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_250	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_250	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_250	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_250	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_250	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_250	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_250	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_250	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_250	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_250	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_250	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_250	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_250	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_250	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_250	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_250	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_250	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_250	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_250	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_250	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_250	CC1COc2ccccc2N1	C32329207
PUBCHEM_251	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_251	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_251	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_251	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_251	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_251	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_251	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_251	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_251	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_251	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_251	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_251	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_251	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_251	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_251	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_251	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_251	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_251	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_251	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_251	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_251	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_251	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_251	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_251	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_251	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_251	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_251	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_251	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_251	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_251	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_251	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_251	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_251	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_251	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_251	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_251	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_251	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_251	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_251	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_251	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_251	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_251	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_251	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_251	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_251	Oc1cccc2cccnc12	C148243
PUBCHEM_251	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_251	Cc1cc2cccnc2cc1	C91623
PUBCHEM_251	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_251	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_251	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_251	n1cccc2c1cccc2	C91225
PUBCHEM_251	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_251	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_251	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_251	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_251	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_251	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_251	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_251	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_251	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_251	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_251	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_251	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_251	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_251	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_251	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_251	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_251	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_251	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_251	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_251	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_251	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_251	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_251	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_251	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_251	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_251	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_251	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_251	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_251	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_251	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_251	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_251	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_251	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_251	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_251	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_251	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_251	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_251	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_251	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_251	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_251	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_251	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_251	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_251	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_251	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_251	CC1COc2ccccc2N1	C32329207
PUBCHEM_274	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_276	OB(O)O	C10043353
PUBCHEM_277	F[B-](F)(F)F.[Na+]	C13755298
PUBCHEM_283	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_283	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_283	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_283	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_283	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_283	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_283	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_283	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_283	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_283	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_283	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_283	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_283	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_283	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_283	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_283	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_283	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_283	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_283	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_283	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_283	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_283	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_283	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_283	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_283	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_283	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_283	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_283	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_283	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_283	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_283	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_283	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_283	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_283	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_283	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_283	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_283	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_283	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_283	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_283	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_283	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_283	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_283	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_283	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_283	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_283	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_283	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_283	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_283	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_283	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_283	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_283	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_283	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_283	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_283	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_283	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_283	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_283	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_283	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_283	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_283	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_283	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_283	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_283	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_283	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_283	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_283	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_283	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_283	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_283	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_283	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_283	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_283	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_283	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_283	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_283	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_283	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_283	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_283	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_283	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_283	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_283	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_283	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_283	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_283	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_283	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_283	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_283	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_283	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_283	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_283	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_283	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_283	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_283	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_283	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_283	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_283	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_283	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_283	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_283	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_283	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_283	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_283	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_283	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_283	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_283	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_283	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_283	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_283	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_283	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_283	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_283	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_283	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_283	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_283	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_283	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_283	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_283	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_283	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_283	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_283	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_283	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_283	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_283	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_283	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_283	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_283	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_283	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_283	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_283	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_283	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_283	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_283	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_283	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_283	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_283	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_283	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_283	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_283	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_283	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_283	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_283	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_283	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_283	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_283	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_283	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_283	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_283	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_283	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_283	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_283	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_283	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_283	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_283	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_283	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_283	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_283	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_283	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_283	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_283	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_283	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_283	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_283	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_283	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_283	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_283	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_283	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_283	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_283	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_283	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_283	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_283	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_283	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_283	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_283	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_283	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_283	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_283	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_283	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_283	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_283	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_283	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_283	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_283	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_283	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_283	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_283	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_283	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_283	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_283	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_283	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_283	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_283	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_283	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_283	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_283	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_283	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_283	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_283	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_283	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_283	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_283	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_283	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_283	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_283	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_283	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_283	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_283	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_283	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_283	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_283	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_283	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_283	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_283	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_283	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_283	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_283	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_283	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_283	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_284	CC(=O)N	C60355
PUBCHEM_284	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_284	C=CC#N	C107131
PUBCHEM_284	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_284	C=CCO	C107186
PUBCHEM_284	C=CCN=C=S	C57067
PUBCHEM_284	Nc1ccccc1.Cl	C142041
PUBCHEM_284	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_284	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_284	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_284	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_284	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_284	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_284	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_284	CC(=O)OCc1ccccc1	C140114
PUBCHEM_284	CC(CNCC(C)O)O	C110974
PUBCHEM_284	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_284	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_284	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_284	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_284	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_284	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_284	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_284	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_284	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_284	O=CCCl	C107200
PUBCHEM_284	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_284	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_284	O=C1CCCCC1	C108941
PUBCHEM_284	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_284	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_284	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_284	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_284	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_284	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_284	BrCCBr	C106934
PUBCHEM_284	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_284	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_284	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_284	S=C(NCC)NCC	C105555
PUBCHEM_284	CN(C)C(=O)C	C127195
PUBCHEM_284	CN(CCO)C	C108010
PUBCHEM_284	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_284	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_284	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_284	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_284	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_284	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_284	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_284	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_284	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_284	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_284	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_284	OC(CO)CCl	C96242
PUBCHEM_284	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_284	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_284	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_284	c1cccc2[nH]ccc12	C120729
PUBCHEM_284	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_284	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_284	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_284	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_284	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_284	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_284	COc1ccc(cc1)O	C150765
PUBCHEM_284	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_284	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_284	C=Cc1ccc(cc1)C	C622979
PUBCHEM_284	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_284	NC(=O)c1cccnc1	C98920
PUBCHEM_284	OC(=O)c1cccnc1	C59676
PUBCHEM_284	O=[N+](CC)[O-]	C79243
PUBCHEM_284	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_284	O=NN1CCCC1	C930552
PUBCHEM_284	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_284	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_284	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_284	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_284	Nc1ccc(cc1)N	C106503
PUBCHEM_284	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_284	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_284	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_284	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_284	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_284	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_284	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_284	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_284	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_284	Nc1ccccc1C.Cl	C636215
PUBCHEM_284	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_284	ClCC(Cl)CCl	C96184
PUBCHEM_284	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_284	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_284	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_284	O=CCc1ccccc1	C122781
PUBCHEM_284	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_284	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_284	OCCOCCOCCOCCCC	C143226
PUBCHEM_284	CCCCCCCCCC=O	C112312
PUBCHEM_284	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_284	O=CCCCCCC	C111717
PUBCHEM_284	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_284	CCCCCCCCC=O	C124196
PUBCHEM_284	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_284	OC(=O)CCCC	C109524
PUBCHEM_284	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_284	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_284	OCCC	C71238
PUBCHEM_284	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_284	OC(C)CN	C78966
PUBCHEM_284	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_284	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_284	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_284	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_284	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_284	O=Cc1ccccc1O	C90028
PUBCHEM_284	Oc1cccc2ccccc12	C90153
PUBCHEM_284	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_284	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_284	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_284	ON=C1CCCCC1	C100641
PUBCHEM_284	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_284	OCCN1CCNCC1	C103764
PUBCHEM_284	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_284	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_284	Oc1ccc(Cl)cc1	C106489
PUBCHEM_284	CC(O)CC(C)(C)O	C107415
PUBCHEM_284	CCCC(=O)C	C107879
PUBCHEM_284	C1CCCCC1O	C108930
PUBCHEM_284	N#CCC#N	C109773
PUBCHEM_284	CCCCCC(=O)C	C110430
PUBCHEM_284	C(O)C#CCO	C110656
PUBCHEM_284	CCNCCO	C110736
PUBCHEM_284	CCCCCCO	C111273
PUBCHEM_284	CCCCCCCO	C111706
PUBCHEM_284	CCCCCCCCCC(=O)C	C112129
PUBCHEM_284	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_284	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_284	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_284	Oc1ccc(CC)cc1	C123079
PUBCHEM_284	CCCCCC(=O)OCC	C123660
PUBCHEM_284	CCCCCCCCCCCCN	C124221
PUBCHEM_284	NCCN1CCNCC1	C140318
PUBCHEM_284	CCCCCCCCCO	C143088
PUBCHEM_284	COc1ccc(OC)cc1	C150787
PUBCHEM_284	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_284	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_284	O=C(OC(C)(C)C)C	C540885
PUBCHEM_284	Oc1ccc(CCC)cc1	C645567
PUBCHEM_284	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_284	C=CC(Cl)CCl	C760236
PUBCHEM_284	C=CC(=O)OCCO	C818611
PUBCHEM_284	CC/C=C\CCO	C928961
PUBCHEM_284	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_284	CCCCCCCCCCN	C2016571
PUBCHEM_284	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_284	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_284	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_284	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_284	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_284	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_284	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_284	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_284	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_284	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_284	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_284	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_284	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_284	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_284	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_284	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_284	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_284	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_284	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_284	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_284	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_284	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_284	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_284	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_284	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_284	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_284	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_284	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_284	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_284	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_284	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_284	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_284	c1(c(CC)cccc1)O	C90006
PUBCHEM_284	c1c(O)cccc1CC	C620177
PUBCHEM_284	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_284	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_284	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_284	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_284	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_284	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_284	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_284	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_284	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_284	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_284	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_284	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_284	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_284	c1cccc(OC)c1O	C90051
PUBCHEM_284	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_284	C(=O)(O)C(C)O	C50215
PUBCHEM_284	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_284	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_284	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_284	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_284	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_284	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_284	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_284	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_284	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_284	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_284	NC(CO)(CO)CO	C77861
PUBCHEM_284	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_284	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_284	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_284	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_284	Cl/C=C/Cl	C156605
PUBCHEM_284	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_284	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_284	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_284	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_284	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_284	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_284	CC(=C)C#N	C126987
PUBCHEM_284	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_284	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_284	Cc1cc(O)ccc1	C108394
PUBCHEM_284	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_284	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_284	CC(O)COC	C107982
PUBCHEM_284	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_284	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_284	c1ccc2ncsc2c1	C95169
PUBCHEM_284	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_284	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_284	ON=CCCC	C110690
PUBCHEM_284	OCCCCO	C110634
PUBCHEM_284	O=C(OCCCC)C=C	C141322
PUBCHEM_284	C(C)(C)(C)N	C75649
PUBCHEM_284	C(OCCCC)C1CO1	C2426086
PUBCHEM_284	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_284	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_284	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_284	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_284	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_284	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_284	C(CCN)CCCN	C124094
PUBCHEM_284	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_284	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_284	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_284	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_284	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_284	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_284	N(CCN)CCN	C111400
PUBCHEM_284	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_284	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_284	N(CCCN)(C)C	C109557
PUBCHEM_284	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_284	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_284	Cc1c(C)cccc1O	C526750
PUBCHEM_284	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_284	C=Cc1ccccc1C=C	C1321740
PUBCHEM_284	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_284	C(CCCCCC)CCCCCS	C112550
PUBCHEM_284	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_284	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_284	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_284	C(CC)(C=O)CCCC	C123057
PUBCHEM_284	OCC(C(O)CCC)CC	C94962
PUBCHEM_284	CCC(=CCCC)C=O	C645625
PUBCHEM_284	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_284	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_284	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_284	c1c(CO)occ1	C98000
PUBCHEM_284	O=CCCCC=O	C111308
PUBCHEM_284	C(=O)(O)CO	C79141
PUBCHEM_284	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_284	C(C)(C)(O)C#N	C75865
PUBCHEM_284	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_284	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_284	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_284	O(C(C)C)C(=O)C	C108214
PUBCHEM_284	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_284	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_284	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_284	N#CC(CCC#N)C	C4553622
PUBCHEM_284	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_284	C1COCCN1	C110918
PUBCHEM_284	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_284	C(CCCCCCC)C	C111842
PUBCHEM_284	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_284	C(=O)(O)C(=O)O	C144627
PUBCHEM_284	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_284	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_284	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_284	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_284	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_284	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_284	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_284	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_284	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_284	c12ccccc1CCCC2	C119642
PUBCHEM_284	O=C(O)CS	C68111
PUBCHEM_284	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_284	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_284	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_284	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_284	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_284	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_284	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_284	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_284	Cc1cccc(C)c1	C108383
PUBCHEM_284	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_284	OCCc1ccccc1	C60128
PUBCHEM_284	O=C(O)c1ccccc1O	C69727
PUBCHEM_284	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_284	N#CC(C)C	C78820
PUBCHEM_284	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_284	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_284	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_284	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_284	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_284	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_284	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_284	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_284	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_284	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_284	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_284	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_284	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_284	O=C1OCC(C)O1	C108327
PUBCHEM_284	Sc1ccccc1	C108985
PUBCHEM_284	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_284	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_284	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_284	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_284	N1CCCCCC1	C111499
PUBCHEM_284	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_284	O=C(C)OCCOCCCC	C112072
PUBCHEM_284	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_284	OCCOCCOCCOC	C112356
PUBCHEM_284	OCCOCCOCCOCCO	C112607
PUBCHEM_284	OCC(CO)(CO)CO	C115775
PUBCHEM_284	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_284	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_284	OC(CCCCCC)C	C123966
PUBCHEM_284	OCC(N)(C)C	C124685
PUBCHEM_284	OCC(C)(C)CO	C126307
PUBCHEM_284	Oc1ccc2ccccc2c1	C135193
PUBCHEM_284	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_284	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_284	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_284	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_284	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_284	Brc1ccc(F)cc1	C460004
PUBCHEM_284	C1=CC=CC1	C542927
PUBCHEM_284	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_284	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_284	O=C1NCCC1	C616455
PUBCHEM_284	O=COC(C)C	C625558
PUBCHEM_284	ClP(c1ccccc1)Cl	C644973
PUBCHEM_284	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_284	OC(C)COc1ccccc1	C770354
PUBCHEM_284	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_284	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_284	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_284	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_284	Nc1cccc(C)c1C	C1300738
PUBCHEM_284	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_284	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_284	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_284	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_284	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_284	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_284	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_284	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_284	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_284	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_284	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_284	OCCOCCC	C2807309
PUBCHEM_284	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_284	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_284	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_284	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_284	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_284	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_284	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_284	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_284	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_284	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_284	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_284	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_284	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_284	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_284	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_284	Nc1c(C)cccc1CC	C24549062
PUBCHEM_284	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_284	Clc1cccc(C)c1	C25168052
PUBCHEM_284	CC(CO)O	C25322694
PUBCHEM_284	SC(C)(C)CCCCCC	C25360105
PUBCHEM_284	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_284	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_284	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_284	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_284	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_284	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_284	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_284	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_284	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_284	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_284	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_284	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_284	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_284	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_284	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_284	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_284	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_284	OCC1OCCC1	C97994
PUBCHEM_284	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_284	CN1CCOCC1	C109024
PUBCHEM_284	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_284	O=C1CCCC1	C120923
PUBCHEM_284	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_284	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_284	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_284	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_284	O=C(C=C(C)C)C	C141797
PUBCHEM_284	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_284	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_284	OC(C)COCCC	C1569013
PUBCHEM_284	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_284	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_284	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_284	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_284	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_284	OCC(CCC)CCCCC	C10042598
PUBCHEM_284	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_284	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_284	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_284	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_284	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_284	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_284	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_284	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_284	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_284	n1c[nH]cc1	C288324
PUBCHEM_284	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_284	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_284	OC(OCCCC)CC	C29387868
PUBCHEM_284	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_284	ClC(Cl)(C)C	C594207
PUBCHEM_284	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_284	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_284	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_284	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_284	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_284	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_284	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_284	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_284	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_284	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_284	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_284	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_284	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_284	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_284	OCn1nc(C)cc1C	C85264331
PUBCHEM_284	OCCSCCCCCCCC	C3547339
PUBCHEM_284	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_284	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_284	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_284	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_284	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_284	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_284	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_284	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_284	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_284	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_284	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_284	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_284	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_284	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_284	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_284	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_284	OC1CCCC1	C96413
PUBCHEM_284	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_284	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_284	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_284	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_284	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_284	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_284	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_284	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_284	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_284	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_284	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_284	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_284	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_284	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_284	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_284	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_284	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_284	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_284	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_284	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_284	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_284	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_284	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_284	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_284	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_284	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_284	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_284	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_284	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_284	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_284	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_284	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_284	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_284	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_284	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_284	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_284	OC(CCCCC)C=C	C3391864
PUBCHEM_284	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_284	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_284	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_284	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_284	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_284	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_284	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_284	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_284	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_284	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_284	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_284	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_284	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_284	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_284	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_284	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_284	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_284	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_284	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_284	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_284	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_284	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_284	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_284	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_284	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_284	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_284	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_284	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_284	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_284	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_284	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_284	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_284	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_284	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_284	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_284	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_284	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_284	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_284	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_284	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_284	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_284	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_284	O=C(CC)OCC	C105373
PUBCHEM_284	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_284	O=C(c1ccccc1O)C	C118934
PUBCHEM_284	O=C1OCC(CC)O1	C4437858
PUBCHEM_284	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_284	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_284	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_284	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_284	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_284	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_284	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_284	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_284	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_284	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_284	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_284	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_284	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_284	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_284	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_284	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_284	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_284	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_284	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_284	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_284	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_284	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_284	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_284	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_284	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_284	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_284	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_284	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_284	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_284	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_284	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_284	CC(O)COCC	C1569024
PUBCHEM_284	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_284	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_284	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_284	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_284	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_284	Oc1ccccc1CN(C)C	C120650
PUBCHEM_284	O=C1CCC(O1)CC	C695067
PUBCHEM_284	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_284	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_284	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_284	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_284	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_284	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_284	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_284	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_284	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_284	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_284	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_284	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_284	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_284	O=C/C=C/CCC	C6728263
PUBCHEM_284	O1C=CCCC1	C110872
PUBCHEM_284	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_284	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_284	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_284	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_284	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_284	OCC=Cc1ccccc1	C104541
PUBCHEM_284	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_284	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_284	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_284	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_284	NCCCN1CCOCC1	C123002
PUBCHEM_284	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_284	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_284	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_284	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_284	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_284	O=C(CCC)OCCCCC	C540181
PUBCHEM_284	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_284	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_284	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_284	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_284	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_284	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_284	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_284	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_284	N#Cc1c(O)cccc1	C611201
PUBCHEM_284	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_284	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_284	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_284	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_284	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_284	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_284	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_284	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_284	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_284	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_284	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_284	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_284	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_284	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_284	OP(OCC)OCC	C762049
PUBCHEM_284	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_284	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_284	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_284	OCCOCC(CC)CCCC	C1559359
PUBCHEM_284	O=C(CC)CCCCC	C106683
PUBCHEM_284	OCCN(CC)CCO	C139877
PUBCHEM_284	CCOC(OCC)OCC	C122510
PUBCHEM_284	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_284	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_284	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_284	O=C(CF)O	C144490
PUBCHEM_284	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_284	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_284	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_284	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_284	c12ccccc1CC=C2	C95136
PUBCHEM_284	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_284	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_284	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_284	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_284	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_284	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_284	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_284	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_284	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_284	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_284	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_284	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_284	OC(C)C(=O)OCCCC	C138227
PUBCHEM_284	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_284	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_284	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_284	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_284	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_284	Oc1c(OCC)cccc1	C94713
PUBCHEM_284	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_284	COc1ccc(CCC)cc1	C104450
PUBCHEM_284	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_284	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_284	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_284	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_284	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_284	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_284	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_284	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_284	OC(CO)c1ccccc1	C93561
PUBCHEM_284	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_284	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_284	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_284	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_284	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_284	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_284	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_284	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_284	O=C(N)Nc1ccccc1	C64108
PUBCHEM_284	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_284	O=C(C)OCCCCCCCC	C112141
PUBCHEM_284	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_284	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_284	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_284	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_284	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_284	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_284	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_284	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_284	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_284	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_284	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_284	NCCN.I.I	C5700492
PUBCHEM_284	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_284	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_284	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_284	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_284	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_284	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_284	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_284	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_284	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_284	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_284	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_284	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_284	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_284	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_284	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_284	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_284	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_284	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_284	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_284	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_284	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_284	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_284	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_284	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_284	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_284	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_284	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_284	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_284	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_284	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_284	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_284	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_284	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_284	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_284	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_284	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_284	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_284	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_284	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_284	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_284	OCCOCC(C)OCCO	C9003116
PUBCHEM_284	O=C1OC(CCC)CC1	C105215
PUBCHEM_284	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_284	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_284	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_284	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_284	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_284	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_284	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_284	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_284	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_284	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_284	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_284	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_284	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_284	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_284	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_284	Sc1ccc(C)cc1	C106456
PUBCHEM_284	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_284	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_284	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_284	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_284	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_284	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_284	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_284	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_284	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_284	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_284	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_284	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_284	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_284	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_284	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_284	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_284	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_284	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_284	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_284	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_284	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_284	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_284	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_284	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_284	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_284	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_284	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_284	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_284	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_284	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_284	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_284	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_284	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_284	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_284	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_284	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_284	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_284	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_284	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_284	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_284	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_284	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_284	S=C1NCCN1	C96457
PUBCHEM_284	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_284	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_284	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_284	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_284	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_284	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_284	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_284	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_284	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_284	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_284	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_284	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_284	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_284	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_284	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_284	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_284	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_284	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_284	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_284	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_284	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_284	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_284	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_284	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_284	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_284	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_284	c1ccccc1OCCO	C122996
PUBCHEM_284	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_284	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_284	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_284	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_284	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_284	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_284	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_284	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_284	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_284	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_284	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_284	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_284	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_284	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_284	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_284	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_284	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_284	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_284	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_284	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_284	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_284	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_284	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_284	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_284	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_284	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_284	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_284	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_284	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_284	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_284	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_284	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_284	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_284	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_284	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_284	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_284	ClCCP(=O)(O)O	C16672870
PUBCHEM_284	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_284	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_284	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_284	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_284	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_284	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_284	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_284	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_284	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_284	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_284	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_284	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_284	OCCOC	C109864
PUBCHEM_284	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_284	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_284	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_284	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_284	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_284	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_284	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_284	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_284	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_284	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_284	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_284	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_284	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_284	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_284	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_284	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_284	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_284	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_284	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_284	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_284	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_284	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_284	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_284	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_284	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_284	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_284	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_284	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_284	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_284	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_284	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_284	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_284	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_284	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_284	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_284	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_284	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_284	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_284	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_284	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_284	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_284	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_284	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_284	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_284	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_284	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_284	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_284	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_284	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_284	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_284	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_284	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_284	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_284	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_284	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_284	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_284	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_284	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_284	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_284	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_284	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_284	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_284	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_284	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_284	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_284	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_284	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_284	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_284	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_284	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_284	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_284	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_284	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_284	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_284	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_284	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_284	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_284	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_284	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_284	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_284	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_284	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_284	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_284	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_284	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_284	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_284	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_284	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_284	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_284	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_284	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_284	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_284	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_284	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_284	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_284	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_284	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_284	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_284	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_284	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_284	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_284	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_284	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_284	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_284	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_284	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_284	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_284	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_284	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_284	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_284	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_284	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_284	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_284	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_284	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_284	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_284	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_284	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_284	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_284	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_284	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_284	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_284	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_284	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_284	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_284	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_284	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_284	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_284	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_284	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_284	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_284	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_284	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_284	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_284	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_284	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_284	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_284	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_284	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_284	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_284	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_284	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_284	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_284	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_284	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_284	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_284	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_284	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_284	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_284	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_284	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_284	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_284	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_284	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_284	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_284	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_284	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_284	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_284	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_284	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_284	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_284	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_284	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_284	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_284	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_284	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_284	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_284	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_284	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_284	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_284	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_284	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_284	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_284	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_284	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_284	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_284	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_284	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_284	NC(=O)C=C	C79061
PUBCHEM_284	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_284	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_284	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_284	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_284	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_284	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_284	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_284	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_284	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_284	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_284	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_284	c1coc2c1cccc2	C271896
PUBCHEM_284	OC(=O)c1ccccc1	C65850
PUBCHEM_284	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_284	OCc1ccccc1	C100516
PUBCHEM_284	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_284	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_284	ClCCOCCCl	C111444
PUBCHEM_284	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_284	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_284	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_284	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_284	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_284	O=C1CCCO1	C96480
PUBCHEM_284	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_284	O=C1CCCCCN1	C105602
PUBCHEM_284	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_284	Oc1c(cccc1)O	C120809
PUBCHEM_284	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_284	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_284	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_284	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_284	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_284	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_284	O=C(c1ccccc1)CCl	C532274
PUBCHEM_284	Nc1ccc(cc1)Cl	C106478
PUBCHEM_284	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_284	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_284	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_284	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_284	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_284	Nc1cc(ccc1OC)C	C120718
PUBCHEM_284	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_284	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_284	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_284	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_284	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_284	OC(=O)C(Cl)Cl	C79436
PUBCHEM_284	Clc1c(cccc1)Cl	C95501
PUBCHEM_284	Clc1ccc(cc1)Cl	C106467
PUBCHEM_284	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_284	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_284	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_284	OCCOCCO	C111466
PUBCHEM_284	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_284	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_284	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_284	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_284	CN(c1ccccc1)C	C121697
PUBCHEM_284	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_284	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_284	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_284	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_284	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_284	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_284	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_284	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_284	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_284	C(CO)O	C107211
PUBCHEM_284	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_284	CCC(CCCC)CO	C104767
PUBCHEM_284	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_284	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_284	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_284	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_284	O=Cc1ccco1	C98011
PUBCHEM_284	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_284	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_284	OCC(O)CO	C56815
PUBCHEM_284	OCC1CO1	C556525
PUBCHEM_284	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_284	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_284	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_284	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_284	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_284	Oc1ccc(cc1)O	C123319
PUBCHEM_284	Oc1cccc2cccnc12	C148243
PUBCHEM_284	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_284	O=C(c1ccncc1)NN	C54853
PUBCHEM_284	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_284	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_284	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_284	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_284	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_284	O=C1N(CCC1)C	C872504
PUBCHEM_284	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_284	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_284	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_284	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_284	Cc1cc2cccnc2cc1	C91623
PUBCHEM_284	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_284	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_284	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_284	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_284	c1c2c(ccc1)cccc2	C91203
PUBCHEM_284	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_284	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_284	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_284	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_284	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_284	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_284	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_284	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_284	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_284	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_284	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_284	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_284	O=NN(CCCC)CCCC	C924163
PUBCHEM_284	CCN(CC)N=O	C55185
PUBCHEM_284	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_284	O=NN(CCC)CCC	C621647
PUBCHEM_284	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_284	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_284	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_284	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_284	Oc1ccccc1	C108952
PUBCHEM_284	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_284	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_284	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_284	Nc1cc(ccc1)N	C108452
PUBCHEM_284	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_284	C1CNCCN1	C110850
PUBCHEM_284	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_284	O=S1(=O)CCCO1	C1120714
PUBCHEM_284	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_284	CC(CO)O	C57556
PUBCHEM_284	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_284	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_284	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_284	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_284	Oc1cc(ccc1)O	C108463
PUBCHEM_284	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_284	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_284	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_284	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_284	OC(=O)C=CC=CC	C110441
PUBCHEM_284	C1C(c2ccccc2)O1	C96093
PUBCHEM_284	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_284	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_284	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_284	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_284	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_284	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_284	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_284	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_284	OCCN(CCO)CCO	C102716
PUBCHEM_284	OCCOCCOCCO	C112276
PUBCHEM_284	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_284	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_284	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_284	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_284	NC(=O)OCC	C51796
PUBCHEM_284	O=C1N(C=C)CCC1	C88120
PUBCHEM_284	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_284	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_284	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_284	OC(=O)CCC	C107926
PUBCHEM_284	CCCCOCCOCCO	C112345
PUBCHEM_284	Oc1ccccc1Cl	C95578
PUBCHEM_284	CCCCCCCCCC(=O)O	C334485
PUBCHEM_284	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_284	O=C(O)CCCCCC	C111148
PUBCHEM_284	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_284	CCCCCC(=O)O	C142621
PUBCHEM_284	CCCCCCCCC(=O)O	C112050
PUBCHEM_284	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_284	CCCCCCCC=O	C124130
PUBCHEM_284	CCCCCCCC(=O)O	C124072
PUBCHEM_284	CCCCC=O	C110623
PUBCHEM_284	CCCCCCCCCCC	C1120214
PUBCHEM_284	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_284	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_284	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_284	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_284	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_284	n1cccc2c1cccc2	C91225
PUBCHEM_284	CCN(CC)c1ccccc1	C91667
PUBCHEM_284	Oc1c(C)cccc1	C95487
PUBCHEM_284	CCC(=NO)C	C96297
PUBCHEM_284	c1ccccc1C(=O)C	C98862
PUBCHEM_284	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_284	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_284	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_284	CCN(CCO)CC	C100378
PUBCHEM_284	CCNc1cc(C)ccc1	C102272
PUBCHEM_284	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_284	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_284	Oc1ccc(C)cc1	C106445
PUBCHEM_284	Nc1ccc(C)cc1	C106490
PUBCHEM_284	ClCCO	C107073
PUBCHEM_284	CC(=O)OCCOCC	C111159
PUBCHEM_284	OCCNCCO	C111422
PUBCHEM_284	N#CCCCCC#N	C111693
PUBCHEM_284	CCCCCCCCO	C111875
PUBCHEM_284	CCOCCOCCO	C111900
PUBCHEM_284	CCCCCCCCCCO	C112301
PUBCHEM_284	CCCCCCCCCCCCCO	C112709
PUBCHEM_284	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_284	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_284	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_284	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_284	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_284	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_284	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_284	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_284	OCCN	C141435
PUBCHEM_284	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_284	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_284	Clc1cc(Cl)ccc1	C541731
PUBCHEM_284	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_284	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_284	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_284	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_284	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_284	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_284	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_284	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_284	c1(CCCC)ccccc1	C104518
PUBCHEM_284	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_284	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_284	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_284	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_284	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_284	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_284	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_284	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_284	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_284	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_284	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_284	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_284	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_284	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_284	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_284	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_284	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_284	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_284	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_284	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_284	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_284	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_284	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_284	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_284	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_284	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_284	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_284	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_284	Nc1c(OC)cccc1	C90040
PUBCHEM_284	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_284	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_284	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_284	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_284	Cc1ccccc1Cl	C95498
PUBCHEM_284	NC1CCCCC1	C108918
PUBCHEM_284	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_284	O=S(=O)(OCC)OCC	C64675
PUBCHEM_284	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_284	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_284	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_284	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_284	Oc1c(cccc1C)C	C576261
PUBCHEM_284	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_284	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_284	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_284	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_284	CCOCCO	C110805
PUBCHEM_284	CCCCOCCO	C111762
PUBCHEM_284	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_284	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_284	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_284	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_284	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_284	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_284	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_284	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_284	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_284	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_284	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_284	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_284	OCCOCCOCCOCC	C112505
PUBCHEM_284	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_284	ON=CC(C)(C)SC	C1646759
PUBCHEM_284	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_284	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_284	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_284	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_284	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_284	O(CCOC)CCOC	C111966
PUBCHEM_284	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_284	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_284	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_284	Cc1ccc(Cl)cc1	C106434
PUBCHEM_284	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_284	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_284	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_284	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_284	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_284	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_284	C(CCCCCCCC)C	C124185
PUBCHEM_284	Nc1cc(C)ccc1N	C496720
PUBCHEM_284	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_284	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_284	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_284	OC(CCl)CCl	C96231
PUBCHEM_284	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_284	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_284	O(CCOC)CCO	C111773
PUBCHEM_284	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_284	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_284	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_284	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_284	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_284	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_284	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_284	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_284	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_284	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_284	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_284	N(c1ccccc1)CC	C103695
PUBCHEM_284	O=C(O)C(CCCC)CC	C149575
PUBCHEM_284	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_284	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_284	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_284	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_284	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_284	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_284	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_284	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_284	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_284	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_284	Nc1c(N)cccc1	C95545
PUBCHEM_284	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_284	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_284	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_284	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_284	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_284	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_284	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_284	Nc1c(cccc1)C	C95534
PUBCHEM_284	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_284	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_284	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_284	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_284	C(OCCOC)COCCOC	C112492
PUBCHEM_284	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_284	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_284	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_284	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_284	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_284	Nc1c(cccc1C)C	C87627
PUBCHEM_284	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_284	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_284	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_284	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_284	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_284	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_284	N#Cc1cnccc1	C100549
PUBCHEM_284	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_284	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_284	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_284	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_284	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_284	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_284	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_284	OCCC(O)C	C107880
PUBCHEM_284	OC(CC(C)C)C	C108112
PUBCHEM_284	Nc1cccc(C)c1	C108441
PUBCHEM_284	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_284	O=C(OC)CCCCCCC	C111115
PUBCHEM_284	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_284	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_284	OCCOCCCCCC	C112254
PUBCHEM_284	OCCCCCCCCCCC	C112425
PUBCHEM_284	OCCCCCCCCCCCC	C112538
PUBCHEM_284	OCCCCCCCCCCCCCC	C112721
PUBCHEM_284	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_284	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_284	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_284	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_284	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_284	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_284	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_284	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_284	Nc1c(CC)cccc1CC	C579668
PUBCHEM_284	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_284	O=C(C)OCCCCC	C628637
PUBCHEM_284	CCCCCCCCCCCCCCC	C629629
PUBCHEM_284	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_284	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_284	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_284	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_284	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_284	Nc1cccc(C)c1N	C2687254
PUBCHEM_284	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_284	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_284	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_284	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_284	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_284	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_284	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_284	OC(OC(O)CC)CC	C25265718
PUBCHEM_284	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_284	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_284	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_284	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_284	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_284	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_284	OC(OCCCOC)CC	C34590948
PUBCHEM_284	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_284	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_284	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_284	O=C(OC)CC(=O)OC	C108598
PUBCHEM_284	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_284	CCC12N(COC1)COC2	C7747355
PUBCHEM_284	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_284	O=C(N)C(=C)C	C79390
PUBCHEM_284	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_284	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_284	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_284	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_284	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_284	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_284	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_284	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_284	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_284	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_284	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_284	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_284	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_284	O=Cc1ccccc1C=O	C643798
PUBCHEM_284	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_284	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_284	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_284	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_284	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_284	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_284	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_284	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_284	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_284	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_284	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_284	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_284	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_284	CCCCCCCCN(C)C	C7378996
PUBCHEM_284	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_284	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_284	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_284	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_284	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_284	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_284	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_284	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_284	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_284	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_284	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_284	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_284	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_284	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_284	O=C(CCC)OCC	C105544
PUBCHEM_284	O=C(OCC)CCCCCC	C106309
PUBCHEM_284	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_284	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_284	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_284	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_284	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_284	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_284	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_284	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_284	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_284	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_284	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_284	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_284	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_284	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_284	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_284	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_284	CCCc1ccccc1	C103651
PUBCHEM_284	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_284	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_284	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_284	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_284	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_284	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_284	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_284	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_284	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_284	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_284	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_284	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_284	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_284	CC(C)(C)c1ccccc1	C98066
PUBCHEM_284	O=C(C)NC	C79163
PUBCHEM_284	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_284	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_284	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_284	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_284	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_284	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_284	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_284	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_284	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_284	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_284	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_284	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_284	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_284	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_284	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_284	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_284	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_284	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_284	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_284	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_284	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_284	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_284	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_284	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_284	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_284	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_284	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_284	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_284	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_284	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_284	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_284	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_284	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_284	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_284	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_284	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_284	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_284	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_284	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_284	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_284	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_284	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_284	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_284	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_284	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_284	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_284	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_284	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_284	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_284	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_284	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_284	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_284	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_284	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_284	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_284	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_284	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_284	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_284	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_284	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_284	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_284	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_284	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_284	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_284	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_284	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_284	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_284	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_284	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_284	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_284	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_284	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_284	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_284	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_284	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_284	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_284	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_284	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_284	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_284	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_284	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_284	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_284	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_284	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_284	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_284	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_284	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_284	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_284	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_284	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_284	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_284	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_284	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_284	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_284	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_284	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_284	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_284	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_284	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_284	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_284	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_284	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_284	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_284	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_284	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_284	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_284	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_284	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_284	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_284	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_284	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_284	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_284	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_284	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_284	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_284	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_284	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_284	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_284	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_284	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_284	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_284	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_284	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_284	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_284	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_284	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_284	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_284	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_284	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_284	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_284	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_284	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_284	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_284	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_284	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_284	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_284	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_284	N#CC(Br)Br	C3252435
PUBCHEM_284	OCCCBr	C627189
PUBCHEM_284	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_284	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_284	C(=O)(C)O	C64197
PUBCHEM_284	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_284	C(CO)C(C)C	C123513
PUBCHEM_284	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_284	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_284	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_284	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_284	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_284	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_284	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_284	NCCOCCOCCN	C929599
PUBCHEM_284	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_284	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_284	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_284	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_284	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_284	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_284	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_284	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_284	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_284	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_284	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_284	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_284	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_284	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_284	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_284	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_284	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_284	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_284	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_284	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_284	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_284	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_284	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_284	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_284	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_284	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_284	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_284	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_284	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_284	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_284	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_284	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_284	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_284	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_284	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_284	OCCC(OC)C	C2517433
PUBCHEM_284	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_284	S=C(NCCCC)NCCCC	C109466
PUBCHEM_284	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_284	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_284	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_284	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_284	O=COCC	C109944
PUBCHEM_284	O=C(OCC)c1ccccc1	C93890
PUBCHEM_284	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_284	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_284	NCc1cccc(CN)c1	C1477550
PUBCHEM_284	O=CCCSC	C3268493
PUBCHEM_284	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_284	N(CCN(C)C)(C)C	C110189
PUBCHEM_284	CCN(CC)CC	C121448
PUBCHEM_284	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_284	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_284	CC(=O)OCC	C141786
PUBCHEM_284	CC(=O)OCCCC	C123864
PUBCHEM_284	CC(=O)CCC(C)C	C110123
PUBCHEM_284	n1cc(C)ccc1	C108996
PUBCHEM_284	CC(=O)CC(C)C	C108101
PUBCHEM_284	NCCN	C107153
PUBCHEM_284	CC(C)C=O	C78842
PUBCHEM_284	CCCCCC=O	C66251
PUBCHEM_284	CCCC=O	C123728
PUBCHEM_284	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_284	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_284	CCC1CO1	C106887
PUBCHEM_284	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_284	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_284	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_284	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_284	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_284	CC1CC(=O)O1	C3068880
PUBCHEM_284	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_284	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_284	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_284	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_284	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_284	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_284	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_284	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_284	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_284	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_284	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_284	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_284	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_284	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_284	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_284	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_284	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_284	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_284	NNc1ccccc1.Cl	C59881
PUBCHEM_284	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_284	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_284	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_284	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_284	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_284	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_284	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_284	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_284	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_284	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_284	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_284	N#Cc1ccccc1	C100470
PUBCHEM_284	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_284	O=C(CCl)CCl	C534076
PUBCHEM_284	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_284	CC(=O)C(=O)O	C127173
PUBCHEM_284	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_284	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_284	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_284	Nc1ccc(Br)cc1	C106401
PUBCHEM_284	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_284	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_284	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_284	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_284	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_284	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_284	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_284	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_284	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_284	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_284	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_284	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_284	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_284	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_284	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_284	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_284	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_284	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_284	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_284	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_284	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_284	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_284	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_284	Nc1ccc(OC)cc1	C104949
PUBCHEM_284	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_284	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_284	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_284	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_284	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_284	O=CC=CC=CCCCCC	C25152845
PUBCHEM_284	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_284	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_284	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_284	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_284	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_284	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_284	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_284	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_284	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_284	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_284	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_284	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_284	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_284	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_284	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_284	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_284	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_284	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_284	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_284	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_284	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_284	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_284	OCC=C(C)C	C556821
PUBCHEM_284	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_284	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_284	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_284	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_284	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_284	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_284	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_284	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_284	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_284	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_284	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_284	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_284	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_284	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_284	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_284	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_284	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_284	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_284	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_284	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_284	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_284	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_284	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_284	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_284	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_284	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_284	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_284	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_284	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_284	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_284	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_284	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_284	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_284	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_284	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_284	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_284	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_284	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_284	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_284	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_284	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_284	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_284	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_284	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_284	O=CCCCCCCCCC=C	C112458
PUBCHEM_284	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_284	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_284	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_284	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_284	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_284	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_284	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_284	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_284	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_284	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_284	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_284	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_284	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_284	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_284	Br[Sn](CC)(CC)CC	C2767546
PUBCHEM_284	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_284	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_284	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_284	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_284	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_284	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_284	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_284	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_284	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_284	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_284	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_284	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_284	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_284	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_284	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_284	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_284	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_284	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_284	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_284	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_284	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_284	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_284	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_284	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_284	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_284	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_284	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_284	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_284	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_284	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_284	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_284	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_284	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_284	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_284	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_284	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_284	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_284	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_284	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_284	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_284	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_284	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_284	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_284	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_284	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_284	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_284	Cl[Hg]c1ccccc1	C100561
PUBCHEM_284	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_284	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_284	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_284	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_284	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_284	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_284	O=[As]c1ccccc1	C637036
PUBCHEM_284	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_284	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_284	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_284	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_284	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_284	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_284	IC(=C(I)I)I	C513928
PUBCHEM_284	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_284	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_284	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_284	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_284	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_284	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_284	O=CN1CCCCC1	C2591868
PUBCHEM_284	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_284	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_284	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_284	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_284	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_284	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_284	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_284	BrCCCCCCCCCCCC	C143157
PUBCHEM_284	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_284	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_284	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_284	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_284	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_284	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_284	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_284	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_284	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_284	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_284	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_284	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_284	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_284	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_284	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_284	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_284	O=C(OCCCCO)C=C	C2478106
PUBCHEM_284	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_284	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_284	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_284	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_284	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_284	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_284	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_284	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_284	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_284	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_284	NCCCOCCCCCCCC	C15930662
PUBCHEM_284	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_284	Nc1cccc(C)n1	C1824813
PUBCHEM_284	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_284	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_284	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_284	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_284	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_284	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_284	CC1COc2ccccc2N1	C32329207
PUBCHEM_284	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_284	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_284	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_284	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_284	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_284	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_284	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_284	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_284	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_284	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_284	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_284	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_284	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_284	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_284	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_284	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_284	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_284	SC1CCCC1	C1679078
PUBCHEM_284	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_284	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_284	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_284	S=C=NCCCSC	C505793
PUBCHEM_284	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_284	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_284	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_284	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_284	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_284	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_284	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_284	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_284	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_284	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_284	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_284	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_284	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_284	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_284	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_284	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_284	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_284	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_284	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_284	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_284	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_284	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_284	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_284	CCCCCc1ccco1	C3777693
PUBCHEM_284	CCC(=O)C(=O)CC	C4437518
PUBCHEM_284	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_284	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_285	CC(=O)N	C60355
PUBCHEM_285	C=CC#N	C107131
PUBCHEM_285	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_285	C=CCN=C=S	C57067
PUBCHEM_285	c1(nc[nH]n1)N	C61825
PUBCHEM_285	Nc1ccccc1.Cl	C142041
PUBCHEM_285	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_285	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_285	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_285	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_285	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_285	CC(CNCC(C)O)O	C110974
PUBCHEM_285	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_285	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_285	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_285	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_285	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_285	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_285	NC(=N)NC#N	C461585
PUBCHEM_285	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_285	S=C(NCC)NCC	C105555
PUBCHEM_285	CN(C)C(=O)C	C127195
PUBCHEM_285	CN(CCO)C	C108010
PUBCHEM_285	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_285	CN(C)N	C57147
PUBCHEM_285	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_285	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_285	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_285	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_285	c1cccc2[nH]ccc12	C120729
PUBCHEM_285	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_285	NC(=O)OC	C598550
PUBCHEM_285	NC(=O)c1cccnc1	C98920
PUBCHEM_285	OC(=O)c1cccnc1	C59676
PUBCHEM_285	O=[N+](CC)[O-]	C79243
PUBCHEM_285	CN(C(=O)N)N=O	C684935
PUBCHEM_285	CN(N=O)C	C62759
PUBCHEM_285	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_285	O=NN1CCCC1	C930552
PUBCHEM_285	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_285	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_285	Nc1ccc(cc1)N	C106503
PUBCHEM_285	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_285	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_285	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_285	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_285	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_285	NC(=S)N	C62566
PUBCHEM_285	Nc1ccccc1C.Cl	C636215
PUBCHEM_285	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_285	OC(C)CN	C78966
PUBCHEM_285	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_285	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_285	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_285	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_285	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_285	ON=C1CCCCC1	C100641
PUBCHEM_285	OCCN1CCNCC1	C103764
PUBCHEM_285	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_285	N#CCC#N	C109773
PUBCHEM_285	CCNCCO	C110736
PUBCHEM_285	CCCCCCCCCCCCN	C124221
PUBCHEM_285	NCCN1CCNCC1	C140318
PUBCHEM_285	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_285	CCCCCCCCCCN	C2016571
PUBCHEM_285	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_285	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_285	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_285	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_285	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_285	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_285	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_285	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_285	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_285	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_285	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_285	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_285	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_285	NC(CO)(CO)CO	C77861
PUBCHEM_285	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_285	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_285	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_285	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_285	CNC	C124403
PUBCHEM_285	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_285	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_285	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_285	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_285	CC(=C)C#N	C126987
PUBCHEM_285	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_285	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_285	O=C(N)N=NC(=O)N	C123773
PUBCHEM_285	c1ccc2ncsc2c1	C95169
PUBCHEM_285	ON=CCCC	C110690
PUBCHEM_285	C(C)(C)(C)N	C75649
PUBCHEM_285	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_285	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_285	C(CCN)CCCN	C124094
PUBCHEM_285	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_285	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_285	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_285	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_285	N(CCN)CCN	C111400
PUBCHEM_285	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_285	N(CCCN)(C)C	C109557
PUBCHEM_285	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_285	OCNC(=O)NCO	C140954
PUBCHEM_285	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_285	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_285	C(C)(C)(O)C#N	C75865
PUBCHEM_285	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_285	N#CC(CCC#N)C	C4553622
PUBCHEM_285	C1COCCN1	C110918
PUBCHEM_285	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_285	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_285	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_285	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_285	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_285	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_285	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_285	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_285	N(C)(C)C	C75503
PUBCHEM_285	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_285	N#CC(C)C	C78820
PUBCHEM_285	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_285	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_285	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_285	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_285	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_285	N1CCCCCC1	C111499
PUBCHEM_285	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_285	OCC(N)(C)C	C124685
PUBCHEM_285	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_285	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_285	O=C1NCCC1	C616455
PUBCHEM_285	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_285	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_285	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_285	Nc1cccc(C)c1C	C1300738
PUBCHEM_285	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_285	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_285	NNC(=S)NN	C2231574
PUBCHEM_285	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_285	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_285	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_285	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_285	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_285	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_285	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_285	Nc1c(C)cccc1CC	C24549062
PUBCHEM_285	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_285	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_285	CN1CCOCC1	C109024
PUBCHEM_285	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_285	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_285	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_285	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_285	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_285	n1c[nH]cc1	C288324
PUBCHEM_285	N#C[S-].[NH4+]	C1762954
PUBCHEM_285	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_285	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_285	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_285	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_285	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_285	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_285	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_285	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_285	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_285	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_285	OCn1nc(C)cc1C	C85264331
PUBCHEM_285	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_285	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_285	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_285	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_285	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_285	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_285	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_285	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_285	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_285	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_285	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_285	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_285	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_285	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_285	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_285	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_285	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_285	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_285	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_285	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_285	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_285	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_285	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_285	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_285	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_285	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_285	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_285	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_285	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_285	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_285	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_285	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_285	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_285	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_285	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_285	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_285	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_285	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_285	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_285	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_285	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_285	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_285	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_285	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_285	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_285	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_285	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_285	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_285	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_285	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_285	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_285	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_285	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_285	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_285	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_285	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_285	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_285	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_285	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_285	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_285	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_285	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_285	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_285	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_285	Oc1ccccc1CN(C)C	C120650
PUBCHEM_285	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_285	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_285	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_285	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_285	NCCCN1CCOCC1	C123002
PUBCHEM_285	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_285	N#Cc1c(O)cccc1	C611201
PUBCHEM_285	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_285	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_285	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_285	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_285	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_285	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_285	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_285	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_285	OCCN(CC)CCO	C139877
PUBCHEM_285	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_285	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_285	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_285	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_285	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_285	S=C(NC)NC	C534134
PUBCHEM_285	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_285	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_285	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_285	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_285	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_285	O=C(N)Nc1ccccc1	C64108
PUBCHEM_285	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_285	NNC(=S)NC	C6610293
PUBCHEM_285	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_285	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_285	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_285	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_285	NCCN.I.I	C5700492
PUBCHEM_285	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_285	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_285	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_285	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_285	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_285	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_285	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_285	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_285	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_285	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_285	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_285	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_285	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_285	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_285	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_285	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_285	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_285	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_285	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_285	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_285	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_285	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_285	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_285	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_285	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_285	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_285	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_285	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_285	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_285	S=C1NCCN1	C96457
PUBCHEM_285	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_285	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_285	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_285	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_285	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_285	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_285	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_285	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_285	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_285	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_285	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_285	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_285	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_285	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_285	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_285	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_285	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_285	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_285	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_285	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_285	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_285	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_285	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_285	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_285	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_285	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_285	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_285	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_285	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_285	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_285	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_285	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_285	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_285	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_285	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_285	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_285	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_285	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_285	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_285	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_285	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_285	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_285	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_285	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_285	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_285	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_285	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_285	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_285	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_285	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_285	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_285	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_285	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_285	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_285	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_285	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_285	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_285	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_285	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_285	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_285	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_285	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_285	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_285	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_285	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_285	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_285	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_285	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_285	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_285	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_285	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_285	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_285	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_285	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_285	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_285	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_285	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_285	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_285	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_285	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_285	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_285	CN1CN(C)CSC1=S	C533744
PUBCHEM_285	C(SC#N)SC#N	C6317186
PUBCHEM_285	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_285	S=C=NC	C556616
PUBCHEM_285	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_285	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_285	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_285	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_285	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_285	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_285	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_285	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_285	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_285	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_285	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_285	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_285	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_285	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_285	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_285	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_285	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_285	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_285	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_285	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_285	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_285	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_285	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_285	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_285	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_285	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_285	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_285	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_285	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_285	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_285	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_285	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_285	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_285	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_285	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_285	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_285	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_285	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_285	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_285	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_285	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_285	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_285	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_285	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_285	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_285	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_285	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_285	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_285	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_285	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_285	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_285	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_285	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_285	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_285	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_285	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_285	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_285	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_285	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_285	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_285	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_285	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_285	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_285	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_285	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_285	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_285	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_285	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_285	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_285	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_285	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_285	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_285	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_285	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_285	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_285	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_285	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_285	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_285	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_285	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_285	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_285	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_285	N#CN	C420042
PUBCHEM_285	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_285	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_285	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_285	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_285	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_285	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_285	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_285	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_285	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_285	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_285	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_285	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_285	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_285	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_285	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_285	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_285	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_285	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_285	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_285	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_285	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_285	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_285	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_285	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_285	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_285	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_285	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_285	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_285	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_285	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_285	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_285	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_285	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_285	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_285	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_285	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_285	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_285	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_285	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_285	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_285	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_285	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_285	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_285	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_285	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_285	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_285	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_285	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_285	NC(=O)C=C	C79061
PUBCHEM_285	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_285	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_285	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_285	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_285	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_285	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_285	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_285	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_285	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_285	O=C1CCCCCN1	C105602
PUBCHEM_285	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_285	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_285	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_285	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_285	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_285	Nc1ccc(cc1)Cl	C106478
PUBCHEM_285	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_285	Nc1cc(ccc1OC)C	C120718
PUBCHEM_285	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_285	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_285	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_285	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_285	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_285	CN(c1ccccc1)C	C121697
PUBCHEM_285	O=C(N(C)C)Cl	C79447
PUBCHEM_285	CN(C=O)C	C68122
PUBCHEM_285	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_285	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_285	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_285	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_285	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_285	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_285	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_285	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_285	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_285	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_285	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_285	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_285	Oc1cccc2cccnc12	C148243
PUBCHEM_285	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_285	O=C(c1ccncc1)NN	C54853
PUBCHEM_285	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_285	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_285	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_285	O=C1N(CCC1)C	C872504
PUBCHEM_285	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_285	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_285	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_285	Cc1cc2cccnc2cc1	C91623
PUBCHEM_285	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_285	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_285	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_285	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_285	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_285	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_285	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_285	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_285	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_285	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_285	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_285	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_285	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_285	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_285	O=NN(CCCC)CCCC	C924163
PUBCHEM_285	CCN(CC)N=O	C55185
PUBCHEM_285	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_285	O=NN(CCC)CCC	C621647
PUBCHEM_285	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_285	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_285	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_285	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_285	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_285	Nc1cc(ccc1)N	C108452
PUBCHEM_285	C1CNCCN1	C110850
PUBCHEM_285	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_285	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_285	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_285	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_285	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_285	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_285	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_285	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_285	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_285	OCCN(CCO)CCO	C102716
PUBCHEM_285	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_285	C(=O)(N)N	C57136
PUBCHEM_285	NC(=O)OCC	C51796
PUBCHEM_285	O=C1N(C=C)CCC1	C88120
PUBCHEM_285	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_285	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_285	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_285	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_285	n1cccc2c1cccc2	C91225
PUBCHEM_285	CCN(CC)c1ccccc1	C91667
PUBCHEM_285	CCC(=NO)C	C96297
PUBCHEM_285	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_285	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_285	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_285	CCN(CCO)CC	C100378
PUBCHEM_285	CCNc1cc(C)ccc1	C102272
PUBCHEM_285	Nc1ccc(C)cc1	C106490
PUBCHEM_285	OCCNCCO	C111422
PUBCHEM_285	N#CCCCCC#N	C111693
PUBCHEM_285	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_285	OCCN	C141435
PUBCHEM_285	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_285	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_285	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_285	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_285	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_285	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_285	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_285	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_285	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_285	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_285	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_285	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_285	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_285	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_285	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_285	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_285	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_285	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_285	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_285	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_285	Nc1c(OC)cccc1	C90040
PUBCHEM_285	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_285	NC1CCCCC1	C108918
PUBCHEM_285	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_285	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_285	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_285	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_285	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_285	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_285	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_285	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_285	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_285	ON=CC(C)(C)SC	C1646759
PUBCHEM_285	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_285	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_285	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_285	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_285	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_285	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_285	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_285	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_285	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_285	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_285	Nc1cc(C)ccc1N	C496720
PUBCHEM_285	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_285	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_285	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_285	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_285	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_285	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_285	N(c1ccccc1)CC	C103695
PUBCHEM_285	C(=O)(N)NO	C127071
PUBCHEM_285	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_285	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_285	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_285	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_285	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_285	Nc1c(N)cccc1	C95545
PUBCHEM_285	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_285	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_285	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_285	Nc1c(cccc1)C	C95534
PUBCHEM_285	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_285	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_285	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_285	Nc1c(cccc1C)C	C87627
PUBCHEM_285	N#Cc1cnccc1	C100549
PUBCHEM_285	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_285	Nc1cccc(C)c1	C108441
PUBCHEM_285	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_285	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_285	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_285	[nH]1ncnc1	C288880
PUBCHEM_285	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_285	Nc1c(CC)cccc1CC	C579668
PUBCHEM_285	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_285	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_285	Nc1cccc(C)c1N	C2687254
PUBCHEM_285	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_285	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_285	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_285	CCC12N(COC1)COC2	C7747355
PUBCHEM_285	O=C(N)C(=C)C	C79390
PUBCHEM_285	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_285	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_285	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_285	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_285	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_285	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_285	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_285	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_285	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_285	Nn1cnnc1	C584134
PUBCHEM_285	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_285	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_285	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_285	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_285	CCCCCCCCN(C)C	C7378996
PUBCHEM_285	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_285	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_285	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_285	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_285	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_285	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_285	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_285	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_285	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_285	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_285	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_285	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_285	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_285	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_285	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_285	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_285	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_285	O=C(C)NC	C79163
PUBCHEM_285	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_285	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_285	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_285	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_285	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_285	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_285	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_285	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_285	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_285	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_285	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_285	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_285	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_285	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_285	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_285	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_285	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_285	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_285	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_285	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_285	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_285	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_285	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_285	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_285	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_285	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_285	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_285	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_285	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_285	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_285	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_285	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_285	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_285	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_285	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_285	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_285	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_285	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_285	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_285	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_285	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_285	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_285	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_285	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_285	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_285	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_285	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_285	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_285	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_285	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_285	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_285	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_285	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_285	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_285	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_285	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_285	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_285	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_285	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_285	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_285	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_285	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_285	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_285	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_285	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_285	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_285	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_285	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_285	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_285	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_285	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_285	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_285	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_285	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_285	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_285	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_285	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_285	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_285	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_285	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_285	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_285	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_285	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_285	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_285	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_285	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_285	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_285	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_285	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_285	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_285	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_285	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_285	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_285	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_285	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_285	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_285	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_285	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_285	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_285	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_285	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_285	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_285	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_285	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_285	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_285	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_285	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_285	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_285	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_285	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_285	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_285	C(=O)N	C75127
PUBCHEM_285	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_285	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_285	N#CC(Br)Br	C3252435
PUBCHEM_285	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_285	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_285	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_285	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_285	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_285	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_285	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_285	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_285	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_285	NCCOCCOCCN	C929599
PUBCHEM_285	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_285	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_285	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_285	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_285	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_285	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_285	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_285	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_285	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_285	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_285	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_285	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_285	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_285	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_285	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_285	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_285	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_285	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_285	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_285	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_285	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_285	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_285	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_285	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_285	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_285	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_285	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_285	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_285	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_285	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_285	S=C(NCCCC)NCCCC	C109466
PUBCHEM_285	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_285	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_285	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_285	NCc1cccc(CN)c1	C1477550
PUBCHEM_285	N(CCN(C)C)(C)C	C110189
PUBCHEM_285	CCN(CC)CC	C121448
PUBCHEM_285	n1cc(C)ccc1	C108996
PUBCHEM_285	NCCN	C107153
PUBCHEM_285	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_285	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_285	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_285	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_285	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_285	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_285	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_285	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_285	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_285	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_285	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_285	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_285	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_285	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_285	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_285	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_285	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_285	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_285	NNc1ccccc1.Cl	C59881
PUBCHEM_285	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_285	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_285	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_285	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_285	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_285	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_285	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_285	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_285	N#Cc1ccccc1	C100470
PUBCHEM_285	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_285	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_285	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_285	Nc1ccc(Br)cc1	C106401
PUBCHEM_285	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_285	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_285	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_285	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_285	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_285	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_285	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_285	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_285	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_285	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_285	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_285	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_285	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_285	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_285	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_285	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_285	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_285	Nc1ccc(OC)cc1	C104949
PUBCHEM_285	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_285	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_285	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_285	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_285	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_285	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_285	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_285	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_285	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_285	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_285	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_285	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_285	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_285	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_285	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_285	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_285	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_285	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_285	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_285	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_285	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_285	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_285	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_285	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_285	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_285	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_285	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_285	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_285	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_285	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_285	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_285	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_285	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_285	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_285	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_285	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_285	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_285	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_285	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_285	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_285	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_285	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_285	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_285	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_285	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_285	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_285	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_285	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_285	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_285	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_285	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_285	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_285	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_285	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_285	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_285	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_285	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_285	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_285	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_285	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_285	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_285	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_285	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_285	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_285	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_285	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_285	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_285	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_285	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_285	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_285	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_285	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_285	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_285	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_285	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_285	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_285	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_285	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_285	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_285	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_285	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_285	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_285	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_285	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_285	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_285	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_285	O=CN1CCCCC1	C2591868
PUBCHEM_285	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_285	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_285	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_285	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_285	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_285	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_285	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_285	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_285	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_285	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_285	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_285	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_285	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_285	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_285	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_285	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_285	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_285	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_285	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_285	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_285	NCCCOCCCCCCCC	C15930662
PUBCHEM_285	Nc1cccc(C)n1	C1824813
PUBCHEM_285	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_285	CC1COc2ccccc2N1	C32329207
PUBCHEM_285	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_285	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_285	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_285	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_285	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_285	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_285	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_285	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_285	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_285	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_285	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_285	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_285	S=C=NCCCSC	C505793
PUBCHEM_285	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_285	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_285	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_285	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_285	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_285	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_285	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_285	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_285	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_285	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_286	CC(=O)N	C60355
PUBCHEM_286	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_286	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_286	C=CCO	C107186
PUBCHEM_286	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_286	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_286	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_286	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_286	CC(=O)OCc1ccccc1	C140114
PUBCHEM_286	CC(CNCC(C)O)O	C110974
PUBCHEM_286	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_286	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_286	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_286	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_286	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_286	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_286	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_286	O=CCCl	C107200
PUBCHEM_286	ClCOC	C107302
PUBCHEM_286	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_286	O=C1CCCCC1	C108941
PUBCHEM_286	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_286	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_286	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_286	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_286	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_286	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_286	CN(C)C(=O)C	C127195
PUBCHEM_286	CN(CCO)C	C108010
PUBCHEM_286	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_286	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_286	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_286	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_286	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_286	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_286	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_286	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_286	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_286	OC(CO)CCl	C96242
PUBCHEM_286	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_286	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_286	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_286	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_286	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_286	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_286	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_286	COc1ccc(cc1)O	C150765
PUBCHEM_286	NC(=O)OC	C598550
PUBCHEM_286	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_286	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_286	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_286	NC(=O)c1cccnc1	C98920
PUBCHEM_286	OC(=O)c1cccnc1	C59676
PUBCHEM_286	CN(C(=O)N)N=O	C684935
PUBCHEM_286	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_286	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_286	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_286	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_286	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_286	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_286	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_286	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_286	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_286	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_286	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_286	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_286	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_286	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_286	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_286	O=P(OC)(OC)OC	C512561
PUBCHEM_286	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_286	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_286	O=CCc1ccccc1	C122781
PUBCHEM_286	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_286	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_286	OCCOCCOCCOCCCC	C143226
PUBCHEM_286	CCCCCCCCCC=O	C112312
PUBCHEM_286	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_286	O=CCCCCCC	C111717
PUBCHEM_286	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_286	CCCCCCCCC=O	C124196
PUBCHEM_286	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_286	OC(=O)CCCC	C109524
PUBCHEM_286	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_286	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_286	OCCC	C71238
PUBCHEM_286	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_286	OC(C)CN	C78966
PUBCHEM_286	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_286	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_286	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_286	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_286	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_286	O=Cc1ccccc1O	C90028
PUBCHEM_286	Oc1cccc2ccccc12	C90153
PUBCHEM_286	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_286	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_286	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_286	OCCN1CCNCC1	C103764
PUBCHEM_286	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_286	Oc1ccc(Cl)cc1	C106489
PUBCHEM_286	CC(O)CC(C)(C)O	C107415
PUBCHEM_286	CCCC(=O)C	C107879
PUBCHEM_286	C1CCCCC1O	C108930
PUBCHEM_286	CCCCCC(=O)C	C110430
PUBCHEM_286	C(O)C#CCO	C110656
PUBCHEM_286	CCNCCO	C110736
PUBCHEM_286	CCCCCCO	C111273
PUBCHEM_286	CCCCCCCO	C111706
PUBCHEM_286	CCCCCCCCCC(=O)C	C112129
PUBCHEM_286	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_286	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_286	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_286	Oc1ccc(CC)cc1	C123079
PUBCHEM_286	CCCCCC(=O)OCC	C123660
PUBCHEM_286	CCCCCCCCCO	C143088
PUBCHEM_286	COc1ccc(OC)cc1	C150787
PUBCHEM_286	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_286	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_286	O=C(OC(C)(C)C)C	C540885
PUBCHEM_286	Oc1ccc(CCC)cc1	C645567
PUBCHEM_286	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_286	C=CC(=O)OCCO	C818611
PUBCHEM_286	CC/C=C\CCO	C928961
PUBCHEM_286	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_286	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_286	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_286	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_286	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_286	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_286	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_286	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_286	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_286	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_286	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_286	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_286	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_286	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_286	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_286	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_286	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_286	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_286	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_286	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_286	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_286	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_286	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_286	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_286	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_286	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_286	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_286	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_286	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_286	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_286	c1(c(CC)cccc1)O	C90006
PUBCHEM_286	c1c(O)cccc1CC	C620177
PUBCHEM_286	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_286	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_286	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_286	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_286	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_286	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_286	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_286	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_286	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_286	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_286	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_286	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_286	c1cccc(OC)c1O	C90051
PUBCHEM_286	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_286	C(=O)(O)C(C)O	C50215
PUBCHEM_286	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_286	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_286	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_286	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_286	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_286	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_286	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_286	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_286	NC(CO)(CO)CO	C77861
PUBCHEM_286	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_286	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_286	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_286	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_286	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_286	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_286	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_286	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_286	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_286	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_286	Cc1cc(O)ccc1	C108394
PUBCHEM_286	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_286	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_286	CC(O)COC	C107982
PUBCHEM_286	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_286	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_286	O=C(N)N=NC(=O)N	C123773
PUBCHEM_286	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_286	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_286	OCCCCO	C110634
PUBCHEM_286	O=C(OCCCC)C=C	C141322
PUBCHEM_286	C(OCCCC)C1CO1	C2426086
PUBCHEM_286	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_286	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_286	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_286	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_286	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_286	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_286	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_286	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_286	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_286	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_286	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_286	OCNC(=O)NCO	C140954
PUBCHEM_286	Cc1c(C)cccc1O	C526750
PUBCHEM_286	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_286	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_286	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_286	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_286	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_286	C(CC)(C=O)CCCC	C123057
PUBCHEM_286	OCC(C(O)CCC)CC	C94962
PUBCHEM_286	CCC(=CCCC)C=O	C645625
PUBCHEM_286	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_286	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_286	c1c(CO)occ1	C98000
PUBCHEM_286	O=CCCCC=O	C111308
PUBCHEM_286	C(=O)(O)CO	C79141
PUBCHEM_286	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_286	C(C)(C)(O)C#N	C75865
PUBCHEM_286	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_286	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_286	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_286	O(C(C)C)C(=O)C	C108214
PUBCHEM_286	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_286	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_286	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_286	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_286	C1COCCN1	C110918
PUBCHEM_286	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_286	C(=O)(O)C(=O)O	C144627
PUBCHEM_286	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_286	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_286	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_286	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_286	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_286	O=C(O)CS	C68111
PUBCHEM_286	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_286	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_286	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_286	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_286	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_286	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_286	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_286	OCCc1ccccc1	C60128
PUBCHEM_286	O=C(O)c1ccccc1O	C69727
PUBCHEM_286	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_286	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_286	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_286	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_286	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_286	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_286	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_286	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_286	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_286	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_286	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_286	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_286	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_286	O=C1OCC(C)O1	C108327
PUBCHEM_286	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_286	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_286	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_286	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_286	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_286	O=C(C)OCCOCCCC	C112072
PUBCHEM_286	OCCOCCOCCOC	C112356
PUBCHEM_286	OCCOCCOCCOCCO	C112607
PUBCHEM_286	OCC(CO)(CO)CO	C115775
PUBCHEM_286	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_286	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_286	OC(CCCCCC)C	C123966
PUBCHEM_286	OCC(N)(C)C	C124685
PUBCHEM_286	OCC(C)(C)CO	C126307
PUBCHEM_286	Oc1ccc2ccccc2c1	C135193
PUBCHEM_286	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_286	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_286	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_286	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_286	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_286	O=C1NCCC1	C616455
PUBCHEM_286	O=COC(C)C	C625558
PUBCHEM_286	OC(C)COc1ccccc1	C770354
PUBCHEM_286	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_286	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_286	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_286	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_286	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_286	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_286	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_286	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_286	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_286	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_286	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_286	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_286	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_286	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_286	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_286	OCCOCCC	C2807309
PUBCHEM_286	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_286	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_286	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_286	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_286	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_286	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_286	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_286	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_286	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_286	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_286	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_286	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_286	CC(CO)O	C25322694
PUBCHEM_286	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_286	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_286	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_286	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_286	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_286	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_286	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_286	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_286	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_286	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_286	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_286	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_286	OCC1OCCC1	C97994
PUBCHEM_286	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_286	CN1CCOCC1	C109024
PUBCHEM_286	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_286	O=C1CCCC1	C120923
PUBCHEM_286	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_286	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_286	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_286	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_286	O=C(C=C(C)C)C	C141797
PUBCHEM_286	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_286	OC(C)COCCC	C1569013
PUBCHEM_286	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_286	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_286	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_286	OCC(CCC)CCCCC	C10042598
PUBCHEM_286	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_286	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_286	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_286	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_286	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_286	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_286	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_286	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_286	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_286	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_286	OC(OCCCC)CC	C29387868
PUBCHEM_286	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_286	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_286	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_286	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_286	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_286	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_286	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_286	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_286	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_286	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_286	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_286	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_286	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_286	OCn1nc(C)cc1C	C85264331
PUBCHEM_286	OCCSCCCCCCCC	C3547339
PUBCHEM_286	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_286	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_286	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_286	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_286	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_286	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_286	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_286	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_286	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_286	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_286	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_286	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_286	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_286	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_286	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_286	OC1CCCC1	C96413
PUBCHEM_286	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_286	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_286	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_286	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_286	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_286	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_286	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_286	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_286	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_286	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_286	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_286	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_286	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_286	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_286	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_286	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_286	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_286	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_286	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_286	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_286	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_286	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_286	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_286	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_286	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_286	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_286	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_286	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_286	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_286	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_286	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_286	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_286	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_286	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_286	OC(CCCCC)C=C	C3391864
PUBCHEM_286	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_286	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_286	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_286	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_286	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_286	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_286	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_286	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_286	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_286	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_286	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_286	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_286	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_286	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_286	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_286	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_286	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_286	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_286	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_286	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_286	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_286	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_286	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_286	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_286	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_286	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_286	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_286	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_286	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_286	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_286	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_286	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_286	O=C(CC)OCC	C105373
PUBCHEM_286	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_286	O=C(c1ccccc1O)C	C118934
PUBCHEM_286	O=C1OCC(CC)O1	C4437858
PUBCHEM_286	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_286	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_286	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_286	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_286	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_286	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_286	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_286	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_286	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_286	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_286	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_286	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_286	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_286	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_286	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_286	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_286	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_286	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_286	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_286	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_286	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_286	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_286	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_286	CC(O)COCC	C1569024
PUBCHEM_286	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_286	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_286	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_286	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_286	Oc1ccccc1CN(C)C	C120650
PUBCHEM_286	O=C1CCC(O1)CC	C695067
PUBCHEM_286	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_286	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_286	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_286	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_286	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_286	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_286	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_286	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_286	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_286	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_286	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_286	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_286	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_286	O=C/C=C/CCC	C6728263
PUBCHEM_286	O1C=CCCC1	C110872
PUBCHEM_286	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_286	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_286	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_286	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_286	OCC=Cc1ccccc1	C104541
PUBCHEM_286	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_286	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_286	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_286	NCCCN1CCOCC1	C123002
PUBCHEM_286	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_286	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_286	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_286	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_286	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_286	O=C(CCC)OCCCCC	C540181
PUBCHEM_286	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_286	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_286	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_286	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_286	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_286	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_286	N#Cc1c(O)cccc1	C611201
PUBCHEM_286	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_286	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_286	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_286	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_286	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_286	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_286	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_286	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_286	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_286	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_286	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_286	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_286	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_286	OP(OCC)OCC	C762049
PUBCHEM_286	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_286	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_286	OCCOCC(CC)CCCC	C1559359
PUBCHEM_286	O=C(CC)CCCCC	C106683
PUBCHEM_286	OCCN(CC)CCO	C139877
PUBCHEM_286	CCOC(OCC)OCC	C122510
PUBCHEM_286	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_286	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_286	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_286	O=C(CF)O	C144490
PUBCHEM_286	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_286	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_286	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_286	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_286	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_286	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_286	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_286	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_286	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_286	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_286	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_286	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_286	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_286	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_286	OC(C)C(=O)OCCCC	C138227
PUBCHEM_286	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_286	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_286	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_286	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_286	Oc1c(OCC)cccc1	C94713
PUBCHEM_286	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_286	COc1ccc(CCC)cc1	C104450
PUBCHEM_286	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_286	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_286	CO[Si](C)(C)OC	C1112396
PUBCHEM_286	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_286	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_286	O=S(=O)(OC)[O-].[Na+]	C512425
PUBCHEM_286	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_286	OC(CO)c1ccccc1	C93561
PUBCHEM_286	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_286	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_286	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_286	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_286	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_286	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_286	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_286	O=C(N)Nc1ccccc1	C64108
PUBCHEM_286	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_286	O=C(C)OCCCCCCCC	C112141
PUBCHEM_286	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_286	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_286	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_286	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_286	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_286	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_286	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_286	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_286	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_286	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_286	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_286	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_286	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_286	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_286	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_286	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_286	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_286	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_286	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_286	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_286	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_286	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_286	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_286	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_286	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_286	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_286	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_286	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_286	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_286	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_286	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_286	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_286	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_286	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_286	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_286	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_286	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_286	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_286	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_286	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_286	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_286	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_286	OCCOCC(C)OCCO	C9003116
PUBCHEM_286	O=C1OC(CCC)CC1	C105215
PUBCHEM_286	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_286	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_286	C=O	C50000
PUBCHEM_286	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_286	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_286	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_286	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_286	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_286	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_286	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_286	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_286	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_286	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_286	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_286	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_286	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_286	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_286	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_286	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_286	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_286	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_286	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_286	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_286	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_286	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_286	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_286	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_286	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_286	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_286	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_286	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_286	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_286	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_286	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_286	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_286	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_286	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_286	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_286	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_286	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_286	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_286	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_286	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_286	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_286	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_286	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_286	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_286	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_286	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_286	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_286	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_286	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_286	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_286	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_286	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_286	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_286	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_286	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_286	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_286	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_286	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_286	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_286	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_286	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_286	c1ccccc1OCCO	C122996
PUBCHEM_286	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_286	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_286	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_286	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_286	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_286	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_286	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_286	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_286	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_286	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_286	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_286	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_286	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_286	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_286	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_286	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_286	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_286	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_286	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_286	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_286	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_286	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_286	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_286	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_286	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_286	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_286	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_286	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_286	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_286	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_286	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_286	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_286	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_286	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_286	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_286	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_286	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_286	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_286	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_286	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_286	NP(=O)(OC)SC	C10265926
PUBCHEM_286	OCCOC	C109864
PUBCHEM_286	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_286	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_286	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_286	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_286	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_286	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_286	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_286	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_286	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_286	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_286	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_286	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_286	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_286	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_286	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_286	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_286	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_286	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_286	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_286	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_286	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_286	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_286	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_286	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_286	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_286	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_286	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_286	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_286	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_286	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_286	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_286	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_286	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_286	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_286	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_286	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_286	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_286	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_286	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_286	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_286	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_286	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_286	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_286	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_286	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_286	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_286	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_286	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_286	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_286	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_286	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_286	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_286	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_286	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_286	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_286	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_286	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_286	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_286	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_286	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_286	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_286	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_286	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_286	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_286	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_286	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_286	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_286	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_286	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_286	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_286	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_286	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_286	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_286	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_286	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_286	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_286	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_286	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_286	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_286	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_286	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_286	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_286	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_286	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_286	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_286	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_286	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_286	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_286	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_286	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_286	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_286	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_286	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_286	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_286	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_286	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_286	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_286	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_286	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_286	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_286	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_286	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_286	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_286	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_286	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_286	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_286	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_286	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_286	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_286	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_286	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_286	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_286	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_286	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_286	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_286	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_286	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_286	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_286	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_286	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_286	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_286	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_286	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_286	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_286	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_286	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_286	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_286	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_286	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_286	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_286	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_286	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_286	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_286	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_286	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_286	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_286	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_286	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_286	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_286	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_286	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_286	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_286	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_286	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_286	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_286	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_286	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_286	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_286	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_286	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_286	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_286	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_286	NC(=O)C=C	C79061
PUBCHEM_286	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_286	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_286	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_286	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_286	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_286	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_286	c1coc2c1cccc2	C271896
PUBCHEM_286	OC(=O)c1ccccc1	C65850
PUBCHEM_286	OCc1ccccc1	C100516
PUBCHEM_286	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_286	ClCCOCCCl	C111444
PUBCHEM_286	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_286	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_286	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_286	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_286	O=C1CCCO1	C96480
PUBCHEM_286	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_286	O=C1CCCCCN1	C105602
PUBCHEM_286	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_286	Oc1c(cccc1)O	C120809
PUBCHEM_286	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_286	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_286	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_286	O=C(c1ccccc1)CCl	C532274
PUBCHEM_286	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_286	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_286	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_286	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_286	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_286	Nc1cc(ccc1OC)C	C120718
PUBCHEM_286	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_286	OC(=O)C(Cl)Cl	C79436
PUBCHEM_286	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_286	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_286	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_286	OCCOCCO	C111466
PUBCHEM_286	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_286	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_286	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_286	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_286	O=C(N(C)C)Cl	C79447
PUBCHEM_286	CN(C=O)C	C68122
PUBCHEM_286	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_286	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_286	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_286	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_286	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_286	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_286	C(CO)O	C107211
PUBCHEM_286	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_286	CCC(CCCC)CO	C104767
PUBCHEM_286	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_286	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_286	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_286	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_286	O=Cc1ccco1	C98011
PUBCHEM_286	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_286	OCC(O)CO	C56815
PUBCHEM_286	OCC1CO1	C556525
PUBCHEM_286	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_286	Oc1ccc(cc1)O	C123319
PUBCHEM_286	Oc1cccc2cccnc12	C148243
PUBCHEM_286	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_286	O=C(c1ccncc1)NN	C54853
PUBCHEM_286	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_286	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_286	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_286	CS(=O)(=O)OC	C66273
PUBCHEM_286	O=C1N(CCC1)C	C872504
PUBCHEM_286	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_286	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_286	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_286	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_286	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_286	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_286	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_286	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_286	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_286	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_286	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_286	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_286	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_286	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_286	Oc1ccccc1	C108952
PUBCHEM_286	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_286	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_286	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_286	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_286	O=S1(=O)CCCO1	C1120714
PUBCHEM_286	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_286	CC(CO)O	C57556
PUBCHEM_286	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_286	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_286	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_286	Oc1cc(ccc1)O	C108463
PUBCHEM_286	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_286	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_286	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_286	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_286	OC(=O)C=CC=CC	C110441
PUBCHEM_286	C1C(c2ccccc2)O1	C96093
PUBCHEM_286	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_286	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_286	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_286	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_286	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_286	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_286	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_286	OCCN(CCO)CCO	C102716
PUBCHEM_286	OCCOCCOCCO	C112276
PUBCHEM_286	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_286	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_286	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_286	C(=O)(N)N	C57136
PUBCHEM_286	NC(=O)OCC	C51796
PUBCHEM_286	O=C1N(C=C)CCC1	C88120
PUBCHEM_286	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_286	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_286	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_286	OC(=O)CCC	C107926
PUBCHEM_286	CCCCOCCOCCO	C112345
PUBCHEM_286	Oc1ccccc1Cl	C95578
PUBCHEM_286	CCCCCCCCCC(=O)O	C334485
PUBCHEM_286	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_286	O=C(O)CCCCCC	C111148
PUBCHEM_286	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_286	CCCCCC(=O)O	C142621
PUBCHEM_286	CCCCCCCCC(=O)O	C112050
PUBCHEM_286	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_286	CCCCCCCC=O	C124130
PUBCHEM_286	CCCCCCCC(=O)O	C124072
PUBCHEM_286	CCCCC=O	C110623
PUBCHEM_286	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_286	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_286	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_286	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_286	Oc1c(C)cccc1	C95487
PUBCHEM_286	c1ccccc1C(=O)C	C98862
PUBCHEM_286	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_286	CCN(CCO)CC	C100378
PUBCHEM_286	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_286	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_286	Oc1ccc(C)cc1	C106445
PUBCHEM_286	ClCCO	C107073
PUBCHEM_286	CC(=O)OCCOCC	C111159
PUBCHEM_286	OCCNCCO	C111422
PUBCHEM_286	CCCCCCCCO	C111875
PUBCHEM_286	CCOCCOCCO	C111900
PUBCHEM_286	CCCCCCCCCCO	C112301
PUBCHEM_286	CCCCCCCCCCCCCO	C112709
PUBCHEM_286	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_286	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_286	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_286	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_286	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_286	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_286	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_286	OCCN	C141435
PUBCHEM_286	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_286	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_286	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_286	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_286	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_286	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_286	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_286	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_286	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_286	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_286	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_286	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_286	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_286	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_286	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_286	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_286	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_286	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_286	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_286	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_286	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_286	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_286	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_286	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_286	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_286	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_286	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_286	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_286	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_286	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_286	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_286	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_286	Nc1c(OC)cccc1	C90040
PUBCHEM_286	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_286	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_286	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_286	O=S(=O)(OCC)OCC	C64675
PUBCHEM_286	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_286	O=S(=O)(OC)OC	C77781
PUBCHEM_286	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_286	Oc1c(cccc1C)C	C576261
PUBCHEM_286	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_286	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_286	CCOCCO	C110805
PUBCHEM_286	CCCCOCCO	C111762
PUBCHEM_286	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_286	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_286	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_286	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_286	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_286	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_286	OCCOCCOCCOCC	C112505
PUBCHEM_286	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_286	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_286	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_286	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_286	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_286	O(CCOC)CCOC	C111966
PUBCHEM_286	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_286	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_286	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_286	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_286	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_286	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_286	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_286	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_286	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_286	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_286	OC(CCl)CCl	C96231
PUBCHEM_286	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_286	O(CCOC)CCO	C111773
PUBCHEM_286	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_286	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_286	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_286	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_286	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_286	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_286	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_286	O=C(O)C(CCCC)CC	C149575
PUBCHEM_286	C(=O)(N)NO	C127071
PUBCHEM_286	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_286	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_286	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_286	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_286	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_286	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_286	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_286	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_286	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_286	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_286	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_286	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_286	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_286	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_286	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_286	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_286	C(OCCOC)COCCOC	C112492
PUBCHEM_286	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_286	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_286	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_286	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_286	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_286	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_286	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_286	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_286	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_286	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_286	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_286	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_286	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_286	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_286	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_286	OCCC(O)C	C107880
PUBCHEM_286	OC(CC(C)C)C	C108112
PUBCHEM_286	O=C(OC)CCCCCCC	C111115
PUBCHEM_286	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_286	OCCOCCCCCC	C112254
PUBCHEM_286	OCCCCCCCCCCC	C112425
PUBCHEM_286	OCCCCCCCCCCCC	C112538
PUBCHEM_286	OCCCCCCCCCCCCCC	C112721
PUBCHEM_286	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_286	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_286	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_286	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_286	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_286	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_286	O=C(C)OCCCCC	C628637
PUBCHEM_286	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_286	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_286	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_286	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_286	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_286	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_286	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_286	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_286	OC(OC(O)CC)CC	C25265718
PUBCHEM_286	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_286	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_286	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_286	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_286	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_286	OC(OCCCOC)CC	C34590948
PUBCHEM_286	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_286	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_286	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_286	O=C(OC)CC(=O)OC	C108598
PUBCHEM_286	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_286	CCC12N(COC1)COC2	C7747355
PUBCHEM_286	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_286	O=C(N)C(=C)C	C79390
PUBCHEM_286	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_286	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_286	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_286	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_286	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_286	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_286	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_286	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_286	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_286	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_286	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_286	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_286	O=Cc1ccccc1C=O	C643798
PUBCHEM_286	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_286	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_286	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_286	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_286	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_286	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_286	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_286	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_286	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_286	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_286	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_286	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_286	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_286	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_286	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_286	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_286	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_286	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_286	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_286	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_286	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_286	O=C(CCC)OCC	C105544
PUBCHEM_286	O=C(OCC)CCCCCC	C106309
PUBCHEM_286	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_286	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_286	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_286	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_286	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_286	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_286	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_286	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_286	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_286	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_286	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_286	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_286	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_286	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_286	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_286	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_286	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_286	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_286	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_286	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_286	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_286	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_286	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_286	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_286	O=C(C)NC	C79163
PUBCHEM_286	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_286	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_286	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_286	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_286	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_286	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_286	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_286	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_286	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_286	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_286	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_286	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_286	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_286	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_286	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_286	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_286	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_286	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_286	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_286	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_286	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_286	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_286	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_286	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_286	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_286	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_286	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_286	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_286	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_286	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_286	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_286	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_286	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_286	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_286	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_286	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_286	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_286	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_286	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_286	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_286	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_286	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_286	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_286	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_286	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_286	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_286	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_286	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_286	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_286	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_286	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_286	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_286	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_286	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_286	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_286	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_286	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_286	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_286	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_286	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_286	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_286	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_286	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_286	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_286	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_286	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_286	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_286	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_286	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_286	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_286	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_286	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_286	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_286	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_286	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_286	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_286	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_286	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_286	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_286	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_286	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_286	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_286	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_286	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_286	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_286	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_286	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_286	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_286	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_286	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_286	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_286	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_286	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_286	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_286	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_286	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_286	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_286	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_286	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_286	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_286	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_286	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_286	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_286	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_286	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_286	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_286	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_286	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_286	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_286	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_286	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_286	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_286	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_286	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_286	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_286	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_286	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_286	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_286	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_286	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_286	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_286	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_286	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_286	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_286	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_286	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_286	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_286	C(=O)N	C75127
PUBCHEM_286	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_286	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_286	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_286	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_286	OCCCBr	C627189
PUBCHEM_286	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_286	C(=O)(C)O	C64197
PUBCHEM_286	C(CO)C(C)C	C123513
PUBCHEM_286	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_286	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_286	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_286	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_286	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_286	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_286	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_286	NCCOCCOCCN	C929599
PUBCHEM_286	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_286	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_286	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_286	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_286	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_286	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_286	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_286	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_286	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_286	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_286	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_286	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_286	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_286	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_286	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_286	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_286	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_286	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_286	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_286	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_286	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_286	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_286	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_286	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_286	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_286	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_286	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_286	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_286	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_286	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_286	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_286	OCCC(OC)C	C2517433
PUBCHEM_286	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_286	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_286	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_286	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_286	O=COCC	C109944
PUBCHEM_286	O=C(OCC)c1ccccc1	C93890
PUBCHEM_286	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_286	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_286	O=CCCSC	C3268493
PUBCHEM_286	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_286	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_286	CC(=O)OCC	C141786
PUBCHEM_286	CC(=O)OCCCC	C123864
PUBCHEM_286	CC(=O)CCC(C)C	C110123
PUBCHEM_286	CC(=O)CC(C)C	C108101
PUBCHEM_286	CC(C)C=O	C78842
PUBCHEM_286	CCCCCC=O	C66251
PUBCHEM_286	CCCC=O	C123728
PUBCHEM_286	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_286	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_286	CCC1CO1	C106887
PUBCHEM_286	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_286	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_286	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_286	CC1CC(=O)O1	C3068880
PUBCHEM_286	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_286	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_286	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_286	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_286	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_286	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_286	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_286	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_286	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_286	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_286	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_286	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_286	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_286	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_286	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_286	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_286	O=C(CCl)CCl	C534076
PUBCHEM_286	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_286	CC(=O)C(=O)O	C127173
PUBCHEM_286	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_286	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_286	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_286	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_286	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_286	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_286	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_286	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_286	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_286	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_286	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_286	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_286	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_286	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_286	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_286	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_286	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_286	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_286	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_286	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_286	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_286	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_286	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_286	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_286	Nc1ccc(OC)cc1	C104949
PUBCHEM_286	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_286	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_286	O=CC=CC=CCCCCC	C25152845
PUBCHEM_286	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_286	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_286	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_286	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_286	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_286	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_286	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_286	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_286	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_286	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_286	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_286	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_286	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_286	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_286	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_286	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_286	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_286	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_286	OCC=C(C)C	C556821
PUBCHEM_286	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_286	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_286	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_286	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_286	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_286	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_286	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_286	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_286	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_286	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_286	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_286	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_286	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_286	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_286	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_286	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_286	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_286	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_286	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_286	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_286	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_286	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_286	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_286	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_286	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_286	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_286	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_286	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_286	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_286	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_286	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_286	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_286	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_286	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_286	O=CCCCCCCCCC=C	C112458
PUBCHEM_286	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_286	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_286	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_286	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_286	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_286	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_286	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_286	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_286	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_286	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_286	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_286	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_286	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_286	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_286	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_286	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_286	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_286	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_286	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_286	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_286	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_286	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_286	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_286	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_286	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_286	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_286	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_286	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_286	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_286	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_286	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_286	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_286	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_286	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_286	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_286	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_286	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_286	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_286	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_286	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_286	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_286	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_286	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_286	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_286	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_286	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_286	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_286	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_286	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_286	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_286	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_286	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_286	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_286	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_286	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_286	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_286	O=CN1CCCCC1	C2591868
PUBCHEM_286	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_286	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_286	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_286	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_286	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_286	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_286	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_286	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_286	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_286	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_286	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_286	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_286	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_286	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_286	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_286	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_286	O=C(OCCCCO)C=C	C2478106
PUBCHEM_286	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_286	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_286	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_286	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_286	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_286	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_286	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_286	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_286	NCCCOCCCCCCCC	C15930662
PUBCHEM_286	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_286	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_286	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_286	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_286	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_286	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_286	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_286	CC1COc2ccccc2N1	C32329207
PUBCHEM_286	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_286	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_286	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_286	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_286	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_286	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_286	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_286	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_286	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_286	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_286	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_286	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_286	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_286	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_286	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_286	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_286	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_286	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_286	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_286	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_286	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_286	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_286	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_286	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_286	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_286	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_286	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_286	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_286	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_286	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_286	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_286	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_286	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_286	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_286	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_286	CCCCCc1ccco1	C3777693
PUBCHEM_286	CCC(=O)C(=O)CC	C4437518
PUBCHEM_286	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_286	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_287	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_287	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_287	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_287	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_287	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_287	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_287	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_287	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_287	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_287	Brc1ccc(F)cc1	C460004
PUBCHEM_287	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_287	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_287	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_287	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_287	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_287	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_287	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_287	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_287	O=C(CF)O	C144490
PUBCHEM_287	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_287	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_287	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_287	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_287	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_287	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_287	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_287	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_287	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_287	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_287	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_287	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_287	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_287	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_287	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_287	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_287	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_287	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_287	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_287	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_287	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_287	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_287	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_287	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_287	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_287	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_287	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_287	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_287	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_287	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_287	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_287	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_287	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_287	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_287	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_287	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_287	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_287	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_287	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_287	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_287	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_287	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_287	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_287	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_287	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_287	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_287	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_287	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_287	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_287	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_287	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_287	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_287	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_287	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_287	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_287	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_287	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_287	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_287	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_287	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_287	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_287	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_287	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_287	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_287	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_287	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_287	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_287	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_287	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_287	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_287	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_287	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_287	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_287	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_287	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_287	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_287	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_287	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_287	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_287	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_287	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_287	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_287	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_287	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_287	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_287	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_287	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_287	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_287	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_287	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_287	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_287	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_287	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_287	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_287	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_287	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_287	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_287	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_287	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_287	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_287	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_287	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_287	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_287	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_287	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_287	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_287	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_287	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_287	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_287	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_287	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_287	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_287	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_287	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_287	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_287	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_287	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_287	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_287	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_287	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_287	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_287	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_287	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_287	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_287	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_287	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_287	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_287	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_287	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_287	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_287	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_287	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_287	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_287	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_287	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_287	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_287	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_287	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_287	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_287	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_287	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_287	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_287	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_287	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_287	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_287	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_287	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_287	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_287	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_287	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_287	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_287	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_287	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_287	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_287	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_291	C[Si](=O)C	C9016006
PUBCHEM_291	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_291	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_291	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_291	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_291	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_291	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_291	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_291	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_291	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_291	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_291	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_291	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_291	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_291	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_291	CO[Si](C)(C)OC	C1112396
PUBCHEM_291	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_291	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_291	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_291	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_291	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_291	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_291	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_291	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_292	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_292	ClP(c1ccccc1)Cl	C644973
PUBCHEM_292	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_292	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_292	ClCCP(=O)(O)O	C16672870
PUBCHEM_292	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_292	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_293	C=CCN=C=S	C57067
PUBCHEM_293	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_293	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_293	S=C(NCC)NCC	C105555
PUBCHEM_293	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_293	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_293	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_293	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_293	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_293	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_293	NC(=S)N	C62566
PUBCHEM_293	CS(=O)C	C67685
PUBCHEM_293	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_293	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_293	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_293	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_293	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_293	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_293	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_293	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_293	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_293	c1ccc2ncsc2c1	C95169
PUBCHEM_293	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_293	C(CCCCCC)CCCCCS	C112550
PUBCHEM_293	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_293	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_293	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_293	O=C(O)CS	C68111
PUBCHEM_293	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_293	Sc1ccccc1	C108985
PUBCHEM_293	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_293	NNC(=S)NN	C2231574
PUBCHEM_293	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_293	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_293	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_293	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_293	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_293	SC(C)(C)CCCCCC	C25360105
PUBCHEM_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_293	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_293	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_293	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_293	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_293	N#C[S-].[NH4+]	C1762954
PUBCHEM_293	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_293	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_293	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_293	OCCSCCCCCCCC	C3547339
PUBCHEM_293	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_293	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_293	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_293	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_293	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_293	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_293	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_293	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_293	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_293	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_293	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_293	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_293	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_293	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_293	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_293	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_293	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_293	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_293	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_293	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_293	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_293	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_293	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_293	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_293	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_293	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_293	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_293	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_293	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_293	S=C(NC)NC	C534134
PUBCHEM_293	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_293	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_293	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_293	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_293	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_293	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_293	NNC(=S)NC	C6610293
PUBCHEM_293	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_293	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_293	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_293	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_293	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_293	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_293	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_293	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_293	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_293	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_293	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_293	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_293	Sc1ccc(C)cc1	C106456
PUBCHEM_293	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_293	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_293	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_293	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_293	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_293	S=C1NCCN1	C96457
PUBCHEM_293	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_293	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_293	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_293	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_293	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_293	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_293	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_293	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_293	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_293	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_293	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_293	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_293	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_293	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_293	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_293	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_293	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_293	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_293	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_293	NP(=O)(OC)SC	C10265926
PUBCHEM_293	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_293	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_293	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_293	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_293	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_293	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_293	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_293	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_293	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_293	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_293	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_293	CN1CN(C)CSC1=S	C533744
PUBCHEM_293	C(SC#N)SC#N	C6317186
PUBCHEM_293	S=C=NC	C556616
PUBCHEM_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_293	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_293	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_293	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_293	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_293	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_293	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_293	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_293	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_293	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_293	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_293	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_293	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_293	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_293	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_293	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_293	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_293	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_293	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_293	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_293	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_293	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_293	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_293	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_293	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_293	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_293	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_293	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_293	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_293	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_293	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_293	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_293	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_293	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_293	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_293	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_293	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_293	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_293	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_293	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_293	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_293	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_293	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_293	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_293	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_293	CS(=O)(=O)OC	C66273
PUBCHEM_293	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_293	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_293	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_293	O=S1(=O)CCCO1	C1120714
PUBCHEM_293	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_293	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_293	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_293	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_293	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_293	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_293	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_293	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_293	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_293	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_293	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_293	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_293	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_293	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_293	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_293	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_293	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_293	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_293	ON=CC(C)(C)SC	C1646759
PUBCHEM_293	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_293	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_293	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_293	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_293	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_293	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_293	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_293	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_293	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_293	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_293	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_293	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_293	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_293	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_293	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_293	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_293	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_293	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_293	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_293	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_293	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_293	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_293	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_293	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_293	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_293	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_293	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_293	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_293	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_293	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_293	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_293	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_293	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_293	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_293	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_293	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_293	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_293	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_293	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_293	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_293	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_293	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_293	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_293	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_293	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_293	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_293	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_293	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_293	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_293	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_293	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_293	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_293	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_293	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_293	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_293	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_293	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_293	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_293	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_293	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_293	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_293	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_293	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_293	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_293	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_293	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_293	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_293	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_293	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_293	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_293	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_293	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_293	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_293	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_293	S=C(NCCCC)NCCCC	C109466
PUBCHEM_293	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_293	O=CCCSC	C3268493
PUBCHEM_293	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_293	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_293	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_293	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_293	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_293	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_293	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_293	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_293	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_293	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_293	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_293	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_293	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_293	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_293	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_293	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_293	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_293	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_293	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_293	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_293	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_293	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_293	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_293	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_293	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_293	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_293	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_293	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_293	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_293	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_293	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_293	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_293	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_293	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_293	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_293	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_293	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_293	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_293	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_293	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_293	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_293	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_293	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_293	SC1CCCC1	C1679078
PUBCHEM_293	S=C=NCCCSC	C505793
PUBCHEM_293	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_293	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_293	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_293	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_294	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_294	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_294	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_294	O=CCCl	C107200
PUBCHEM_294	ClCOC	C107302
PUBCHEM_294	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_294	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_294	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_294	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_294	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_294	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_294	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_294	OC(CO)CCl	C96242
PUBCHEM_294	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_294	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_294	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_294	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_294	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_294	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_294	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_294	ClCC(Cl)CCl	C96184
PUBCHEM_294	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_294	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_294	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_294	Oc1ccc(Cl)cc1	C106489
PUBCHEM_294	C=CC(Cl)CCl	C760236
PUBCHEM_294	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_294	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_294	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_294	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_294	Cl/C=C/Cl	C156605
PUBCHEM_294	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_294	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_294	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_294	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_294	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_294	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_294	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_294	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_294	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_294	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_294	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_294	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_294	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_294	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_294	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_294	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_294	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_294	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_294	Clc1cccc(C)c1	C25168052
PUBCHEM_294	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_294	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_294	ClC(Cl)(C)C	C594207
PUBCHEM_294	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_294	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_294	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_294	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_294	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_294	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_294	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_294	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_294	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_294	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_294	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_294	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_294	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_294	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_294	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_294	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_294	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_294	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_294	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_294	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_294	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_294	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_294	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_294	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_294	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_294	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_294	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_294	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_294	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_294	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_294	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_294	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_294	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_294	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_294	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_294	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_294	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_294	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_294	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_294	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_294	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_294	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_294	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_294	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_294	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_294	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_294	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_294	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_294	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_294	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_294	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_294	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_294	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_294	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_294	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_294	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_294	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_294	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_294	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_294	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_294	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_294	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_294	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_294	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_294	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_294	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_294	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_294	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_294	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_294	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_294	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_294	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_294	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_294	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_294	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_294	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_294	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_294	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_294	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_294	ClCCP(=O)(O)O	C16672870
PUBCHEM_294	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_294	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_294	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_294	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_294	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_294	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_294	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_294	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_294	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_294	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_294	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_294	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_294	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_294	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_294	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_294	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_294	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_294	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_294	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_294	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_294	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_294	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_294	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_294	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_294	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_294	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_294	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_294	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_294	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_294	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_294	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_294	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_294	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_294	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_294	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_294	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_294	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_294	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_294	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_294	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_294	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_294	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_294	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_294	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_294	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_294	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_294	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_294	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_294	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_294	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_294	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_294	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_294	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_294	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_294	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_294	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_294	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_294	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_294	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_294	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_294	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_294	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_294	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_294	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_294	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_294	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_294	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_294	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_294	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_294	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_294	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_294	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_294	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_294	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_294	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_294	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_294	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_294	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_294	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_294	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_294	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_294	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_294	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_294	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_294	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_294	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_294	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_294	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_294	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_294	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_294	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_294	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_294	ClCCOCCCl	C111444
PUBCHEM_294	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_294	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_294	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_294	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_294	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_294	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_294	O=C(c1ccccc1)CCl	C532274
PUBCHEM_294	Nc1ccc(cc1)Cl	C106478
PUBCHEM_294	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_294	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_294	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_294	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_294	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_294	OC(=O)C(Cl)Cl	C79436
PUBCHEM_294	Clc1c(cccc1)Cl	C95501
PUBCHEM_294	Clc1ccc(cc1)Cl	C106467
PUBCHEM_294	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_294	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_294	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_294	O=C(N(C)C)Cl	C79447
PUBCHEM_294	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_294	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_294	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_294	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_294	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_294	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_294	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_294	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_294	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_294	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_294	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_294	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_294	Oc1ccccc1Cl	C95578
PUBCHEM_294	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_294	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_294	ClCCO	C107073
PUBCHEM_294	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_294	Clc1cc(Cl)ccc1	C541731
PUBCHEM_294	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_294	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_294	Cc1ccccc1Cl	C95498
PUBCHEM_294	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_294	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_294	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_294	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_294	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_294	Cc1ccc(Cl)cc1	C106434
PUBCHEM_294	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_294	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_294	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_294	OC(CCl)CCl	C96231
PUBCHEM_294	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_294	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_294	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_294	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_294	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_294	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_294	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_294	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_294	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_294	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_294	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_294	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_294	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_294	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_294	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_294	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_294	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_294	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_294	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_294	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_294	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_294	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_294	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_294	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_294	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_294	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_294	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_294	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_294	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_294	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_294	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_294	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_294	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_294	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_294	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_294	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_294	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_294	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_294	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_294	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_294	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_294	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_294	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_294	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_294	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_294	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_294	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_294	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_294	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_294	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_294	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_294	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_294	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_294	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_294	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_294	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_294	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_294	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_294	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_294	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_294	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_294	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_294	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_294	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_294	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_294	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_294	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_294	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_294	O=C(CCl)CCl	C534076
PUBCHEM_294	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_294	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_294	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_294	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_294	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_294	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_294	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_294	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_294	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_294	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_294	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_294	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_294	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_294	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_294	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_294	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_294	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_294	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_294	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_294	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_294	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_294	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_294	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_294	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_294	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_294	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_294	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_294	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_294	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_294	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_294	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_294	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_294	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_294	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_294	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_294	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_294	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_294	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_294	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_294	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_294	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_294	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_294	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_294	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_294	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_294	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_294	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_294	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_294	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_295	C[As](=O)(C)O	C75605
PUBCHEM_295	O=[As]c1ccccc1	C637036
PUBCHEM_297	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_297	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_297	BrCCBr	C106934
PUBCHEM_297	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_297	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_297	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_297	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_297	Brc1ccc(F)cc1	C460004
PUBCHEM_297	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_297	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_297	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_297	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_297	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_297	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_297	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_297	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_297	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_297	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_297	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_297	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_297	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_297	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_297	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_297	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_297	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_297	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_297	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_297	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_297	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_297	N#CC(Br)Br	C3252435
PUBCHEM_297	OCCCBr	C627189
PUBCHEM_297	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_297	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_297	Nc1ccc(Br)cc1	C106401
PUBCHEM_297	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_297	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_297	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_297	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_297	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_297	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_297	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_297	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_297	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_297	BrCCCCCCCCCCCC	C143157
PUBCHEM_297	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_297	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_298	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_298	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_298	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_298	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_298	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_298	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_298	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_298	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_298	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_298	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_298	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_298	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_298	IC(=C(I)I)I	C513928
PUBCHEM_298	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_299	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_299	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_299	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_299	N#C[S-].[NH4+]	C1762954
PUBCHEM_299	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_299	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_299	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_300	c1(nc[nH]n1)N	C61825
PUBCHEM_300	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_300	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_300	CN(C)N	C57147
PUBCHEM_300	CN(C(=O)N)N=O	C684935
PUBCHEM_300	CN(N=O)C	C62759
PUBCHEM_300	O=NN1CCCC1	C930552
PUBCHEM_300	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_300	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_300	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_300	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_300	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_300	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_300	O=C(N)N=NC(=O)N	C123773
PUBCHEM_300	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_300	NNC(=S)NN	C2231574
PUBCHEM_300	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_300	OCn1nc(C)cc1C	C85264331
PUBCHEM_300	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_300	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_300	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_300	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_300	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_300	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_300	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_300	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_300	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_300	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_300	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_300	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_300	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_300	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_300	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_300	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_300	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_300	NNC(=S)NC	C6610293
PUBCHEM_300	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_300	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_300	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_300	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_300	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_300	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_300	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_300	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_300	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_300	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_300	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_300	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_300	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_300	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_300	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_300	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_300	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_300	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_300	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_300	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_300	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_300	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_300	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_300	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_300	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_300	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_300	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_300	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_300	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_300	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_300	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_300	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_300	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_300	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_300	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_300	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_300	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_300	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_300	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_300	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_300	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_300	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_300	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_300	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_300	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_300	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_300	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_300	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_300	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_300	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_300	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_300	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_300	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_300	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_300	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_300	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_300	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_300	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_300	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_300	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_300	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_300	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_300	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_300	O=C(c1ccncc1)NN	C54853
PUBCHEM_300	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_300	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_300	O=NN(CCCC)CCCC	C924163
PUBCHEM_300	CCN(CC)N=O	C55185
PUBCHEM_300	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_300	O=NN(CCC)CCC	C621647
PUBCHEM_300	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_300	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_300	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_300	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_300	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_300	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_300	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_300	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_300	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_300	[nH]1ncnc1	C288880
PUBCHEM_300	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_300	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_300	Nn1cnnc1	C584134
PUBCHEM_300	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_300	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_300	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_300	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_300	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_300	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_300	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_300	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_300	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_300	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_300	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_300	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_300	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_300	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_300	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_300	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_300	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_300	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_300	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_300	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_300	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_300	NNc1ccccc1.Cl	C59881
PUBCHEM_300	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_300	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_300	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_300	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_300	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_300	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_300	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_300	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_300	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_301	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_301	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_301	O=[N+](CC)[O-]	C79243
PUBCHEM_301	CN(C(=O)N)N=O	C684935
PUBCHEM_301	CN(N=O)C	C62759
PUBCHEM_301	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_301	O=NN1CCCC1	C930552
PUBCHEM_301	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_301	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_301	ON=C1CCCCC1	C100641
PUBCHEM_301	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_301	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_301	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_301	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_301	ON=CCCC	C110690
PUBCHEM_301	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_301	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_301	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_301	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_301	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_301	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_301	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_301	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_301	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_301	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_301	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_301	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_301	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_301	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_301	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_301	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_301	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_301	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_301	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_301	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_301	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_301	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_301	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_301	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_301	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_301	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_301	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_301	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_301	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_301	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_301	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_301	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_301	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_301	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_301	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_301	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_301	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_301	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_301	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_301	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_301	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_301	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_301	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_301	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_301	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_301	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_301	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_301	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_301	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_301	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_301	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_301	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_301	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_301	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_301	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_301	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_301	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_301	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_301	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_301	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_301	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_301	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_301	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_301	O=N[O-].[Na+]	C7632000
PUBCHEM_301	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_301	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_301	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_301	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_301	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_301	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_301	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_301	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_301	O=NN(CCCC)CCCC	C924163
PUBCHEM_301	CCN(CC)N=O	C55185
PUBCHEM_301	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_301	O=NN(CCC)CCC	C621647
PUBCHEM_301	CCC(=NO)C	C96297
PUBCHEM_301	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_301	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_301	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_301	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_301	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_301	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_301	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_301	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_301	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_301	ON=CC(C)(C)SC	C1646759
PUBCHEM_301	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_301	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_301	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_301	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_301	C(=O)(N)NO	C127071
PUBCHEM_301	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_301	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_301	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_301	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_301	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_301	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_301	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_301	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_301	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_301	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_301	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_301	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_301	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_301	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_301	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_301	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_301	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_301	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_301	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_301	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_301	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_301	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_301	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_301	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_301	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_301	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_301	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_301	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_301	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_301	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_301	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_301	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_301	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_301	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_301	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_301	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_301	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_301	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_301	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_301	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_301	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_301	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_301	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_301	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_301	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_301	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_301	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_301	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_301	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_301	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_301	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_301	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_301	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_301	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_301	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_301	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_301	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_301	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_301	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_301	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_301	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_303	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_304	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_304	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_304	NP(=O)(OC)SC	C10265926
PUBCHEM_304	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_304	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_304	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_304	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_304	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_305	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_305	[NH4+].[O-]S(=O)(=O)N	C7773060
PUBCHEM_305	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_305	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_305	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_305	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_305	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_305	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_305	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_305	O=S(=O)(N)O	C5329146
PUBCHEM_305	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_305	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_305	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_305	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_305	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_305	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_305	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_305	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_305	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_305	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_305	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_305	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_305	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_305	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_305	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_305	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_305	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_305	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_305	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_305	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_305	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_305	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_305	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_305	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_305	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_305	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_305	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_305	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_305	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_305	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_305	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_305	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_305	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_305	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_305	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_305	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_305	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_305	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_305	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_305	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_305	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_305	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_305	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_305	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_305	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_305	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_305	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_305	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_305	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_305	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_305	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_305	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_305	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_305	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_305	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_305	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_305	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_305	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_305	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_305	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_305	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_305	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_305	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_305	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_305	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_305	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_305	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_305	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_305	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_305	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_305	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_305	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_305	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_305	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_305	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_305	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_305	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_305	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_305	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_305	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_306	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_306	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_306	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_306	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_306	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_306	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_306	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_306	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_306	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_307	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_307	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_307	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_309	[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]	C7775271
PUBCHEM_309	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_309	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_309	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_309	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_309	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_313	C[Si](=O)C	C9016006
PUBCHEM_313	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_313	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_313	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_313	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_313	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_313	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_313	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_313	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_313	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_313	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_313	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_313	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_313	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_313	CO[Si](C)(C)OC	C1112396
PUBCHEM_313	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_313	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_313	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_313	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_313	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_313	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_313	O=[Si]=O	C7631869
PUBCHEM_313	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_313	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_314	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_314	O=P(OC)(OC)OC	C512561
PUBCHEM_314	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_314	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_314	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_314	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_314	OP(=O)(O)O	C7664382
PUBCHEM_314	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_314	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_314	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_314	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_314	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_314	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_314	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_314	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_314	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_314	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_314	OP(OCC)OCC	C762049
PUBCHEM_314	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_314	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_314	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_314	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_314	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_314	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_314	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_314	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_314	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_314	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_314	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_314	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_314	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_314	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_314	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_314	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_314	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_314	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_314	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_314	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_314	ClCCP(=O)(O)O	C16672870
PUBCHEM_314	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_314	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_314	NP(=O)(OC)SC	C10265926
PUBCHEM_314	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_314	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_314	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_314	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_314	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_314	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_314	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_314	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_314	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_314	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_314	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_314	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_314	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_314	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_314	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_314	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_314	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_314	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_314	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_314	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_314	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_314	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_314	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_314	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_314	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_314	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_314	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_314	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_314	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_314	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_314	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_314	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_314	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_314	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_314	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_314	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_314	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_314	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_314	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_314	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_314	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_314	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_314	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_320	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_323	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_327	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_327	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_327	BrCCBr	C106934
PUBCHEM_327	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_327	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_327	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_327	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_327	Brc1ccc(F)cc1	C460004
PUBCHEM_327	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_327	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_327	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_327	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_327	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_327	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_327	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_327	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_327	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_327	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_327	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_327	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_327	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_327	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_327	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_327	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_327	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_327	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_327	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_327	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_327	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_327	N#CC(Br)Br	C3252435
PUBCHEM_327	OCCCBr	C627189
PUBCHEM_327	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_327	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_327	Nc1ccc(Br)cc1	C106401
PUBCHEM_327	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_327	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_327	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_327	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_327	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_327	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_327	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_327	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_327	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_327	BrCCCCCCCCCCCC	C143157
PUBCHEM_327	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_327	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_328	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_328	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_328	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_328	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_328	Brc1ccc(F)cc1	C460004
PUBCHEM_328	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_328	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_328	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_328	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_328	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_328	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_328	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_328	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_328	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_328	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_328	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_328	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_328	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_328	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_328	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_328	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_328	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_328	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_328	Nc1ccc(Br)cc1	C106401
PUBCHEM_328	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_328	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_328	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_328	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_328	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_328	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_328	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_328	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_328	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_328	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_328	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_330	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_330	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_330	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_330	Brc1ccc(F)cc1	C460004
PUBCHEM_330	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_330	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_330	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_330	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_330	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_330	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_330	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_330	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_330	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_330	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_330	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_330	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_330	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_330	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_330	Nc1ccc(Br)cc1	C106401
PUBCHEM_330	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_330	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_330	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_330	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_330	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_330	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_330	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_330	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_330	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_330	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_331	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_332	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_332	C=CC#N	C107131
PUBCHEM_332	C=CCO	C107186
PUBCHEM_332	C=CCN=C=S	C57067
PUBCHEM_332	Nc1ccccc1.Cl	C142041
PUBCHEM_332	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_332	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_332	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_332	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_332	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_332	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_332	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_332	CC(=O)OCc1ccccc1	C140114
PUBCHEM_332	CC(CNCC(C)O)O	C110974
PUBCHEM_332	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_332	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_332	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_332	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_332	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_332	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_332	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_332	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_332	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_332	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_332	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_332	O=C1CCCCC1	C108941
PUBCHEM_332	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_332	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_332	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_332	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_332	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_332	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_332	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_332	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_332	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_332	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_332	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_332	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_332	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_332	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_332	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_332	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_332	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_332	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_332	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_332	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_332	OC(CO)CCl	C96242
PUBCHEM_332	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_332	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_332	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_332	c1cccc2[nH]ccc12	C120729
PUBCHEM_332	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_332	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_332	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_332	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_332	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_332	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_332	COc1ccc(cc1)O	C150765
PUBCHEM_332	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_332	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_332	C=Cc1ccc(cc1)C	C622979
PUBCHEM_332	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_332	NC(=O)c1cccnc1	C98920
PUBCHEM_332	OC(=O)c1cccnc1	C59676
PUBCHEM_332	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_332	O=NN1CCCC1	C930552
PUBCHEM_332	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_332	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_332	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_332	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_332	Nc1ccc(cc1)N	C106503
PUBCHEM_332	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_332	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_332	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_332	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_332	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_332	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_332	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_332	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_332	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_332	Nc1ccccc1C.Cl	C636215
PUBCHEM_332	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_332	ClCC(Cl)CCl	C96184
PUBCHEM_332	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_332	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_332	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_332	O=CCc1ccccc1	C122781
PUBCHEM_332	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_332	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_332	OCCOCCOCCOCCCC	C143226
PUBCHEM_332	CCCCCCCCCC=O	C112312
PUBCHEM_332	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_332	O=CCCCCCC	C111717
PUBCHEM_332	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_332	CCCCCCCCC=O	C124196
PUBCHEM_332	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_332	OC(=O)CCCC	C109524
PUBCHEM_332	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_332	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_332	OCCC	C71238
PUBCHEM_332	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_332	OC(C)CN	C78966
PUBCHEM_332	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_332	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_332	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_332	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_332	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_332	O=Cc1ccccc1O	C90028
PUBCHEM_332	Oc1cccc2ccccc12	C90153
PUBCHEM_332	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_332	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_332	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_332	ON=C1CCCCC1	C100641
PUBCHEM_332	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_332	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_332	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_332	Oc1ccc(Cl)cc1	C106489
PUBCHEM_332	CC(O)CC(C)(C)O	C107415
PUBCHEM_332	CCCC(=O)C	C107879
PUBCHEM_332	C1CCCCC1O	C108930
PUBCHEM_332	N#CCC#N	C109773
PUBCHEM_332	CCCCCC(=O)C	C110430
PUBCHEM_332	C(O)C#CCO	C110656
PUBCHEM_332	CCCCCCO	C111273
PUBCHEM_332	CCCCCCCO	C111706
PUBCHEM_332	CCCCCCCCCC(=O)C	C112129
PUBCHEM_332	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_332	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_332	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_332	Oc1ccc(CC)cc1	C123079
PUBCHEM_332	CCCCCC(=O)OCC	C123660
PUBCHEM_332	CCCCCCCCCCCCN	C124221
PUBCHEM_332	CCCCCCCCCO	C143088
PUBCHEM_332	COc1ccc(OC)cc1	C150787
PUBCHEM_332	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_332	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_332	O=C(OC(C)(C)C)C	C540885
PUBCHEM_332	Oc1ccc(CCC)cc1	C645567
PUBCHEM_332	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_332	C=CC(Cl)CCl	C760236
PUBCHEM_332	C=CC(=O)OCCO	C818611
PUBCHEM_332	CC/C=C\CCO	C928961
PUBCHEM_332	CCCC[Sn](CCCC)(CCCC)CCCC	C1461252
PUBCHEM_332	CCCCCCCCCCN	C2016571
PUBCHEM_332	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_332	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_332	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_332	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_332	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_332	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_332	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_332	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_332	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_332	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_332	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_332	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_332	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_332	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_332	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_332	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_332	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_332	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_332	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_332	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_332	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_332	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_332	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_332	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_332	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_332	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_332	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_332	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_332	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_332	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_332	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_332	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_332	c1(c(CC)cccc1)O	C90006
PUBCHEM_332	c1c(O)cccc1CC	C620177
PUBCHEM_332	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_332	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_332	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_332	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_332	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_332	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_332	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_332	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_332	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_332	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_332	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_332	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_332	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_332	c1cccc(OC)c1O	C90051
PUBCHEM_332	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_332	C(=O)(O)C(C)O	C50215
PUBCHEM_332	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_332	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_332	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_332	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_332	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_332	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_332	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_332	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_332	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_332	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_332	NC(CO)(CO)CO	C77861
PUBCHEM_332	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_332	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_332	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_332	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_332	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_332	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_332	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_332	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_332	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_332	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_332	CC(=C)C#N	C126987
PUBCHEM_332	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_332	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_332	Cc1cc(O)ccc1	C108394
PUBCHEM_332	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_332	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_332	CC(O)COC	C107982
PUBCHEM_332	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_332	c1ccc2ncsc2c1	C95169
PUBCHEM_332	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_332	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_332	ON=CCCC	C110690
PUBCHEM_332	OCCCCO	C110634
PUBCHEM_332	O=C(OCCCC)C=C	C141322
PUBCHEM_332	C(C)(C)(C)N	C75649
PUBCHEM_332	C(OCCCC)C1CO1	C2426086
PUBCHEM_332	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_332	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_332	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_332	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_332	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_332	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_332	C(CCN)CCCN	C124094
PUBCHEM_332	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_332	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_332	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_332	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_332	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_332	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_332	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_332	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_332	N(CCCN)(C)C	C109557
PUBCHEM_332	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_332	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_332	Cc1c(C)cccc1O	C526750
PUBCHEM_332	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_332	C=Cc1ccccc1C=C	C1321740
PUBCHEM_332	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_332	C(CCCCCC)CCCCCS	C112550
PUBCHEM_332	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_332	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_332	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_332	C(CC)(C=O)CCCC	C123057
PUBCHEM_332	OCC(C(O)CCC)CC	C94962
PUBCHEM_332	CCC(=CCCC)C=O	C645625
PUBCHEM_332	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_332	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_332	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_332	c1c(CO)occ1	C98000
PUBCHEM_332	O=CCCCC=O	C111308
PUBCHEM_332	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_332	C(C)(C)(O)C#N	C75865
PUBCHEM_332	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_332	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_332	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_332	O(C(C)C)C(=O)C	C108214
PUBCHEM_332	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_332	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_332	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_332	N#CC(CCC#N)C	C4553622
PUBCHEM_332	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_332	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_332	C(CCCCCCC)C	C111842
PUBCHEM_332	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_332	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_332	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_332	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_332	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_332	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_332	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_332	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_332	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_332	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_332	c12ccccc1CCCC2	C119642
PUBCHEM_332	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_332	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_332	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_332	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_332	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_332	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_332	Cc1cccc(C)c1	C108383
PUBCHEM_332	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_332	OCCc1ccccc1	C60128
PUBCHEM_332	O=C(O)c1ccccc1O	C69727
PUBCHEM_332	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_332	N#CC(C)C	C78820
PUBCHEM_332	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_332	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_332	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_332	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_332	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_332	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_332	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_332	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_332	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_332	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_332	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_332	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_332	O=C1OCC(C)O1	C108327
PUBCHEM_332	Sc1ccccc1	C108985
PUBCHEM_332	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_332	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_332	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_332	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_332	N1CCCCCC1	C111499
PUBCHEM_332	O=C(C)OCCOCCCC	C112072
PUBCHEM_332	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_332	OCC(CO)(CO)CO	C115775
PUBCHEM_332	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_332	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_332	OC(CCCCCC)C	C123966
PUBCHEM_332	OCC(N)(C)C	C124685
PUBCHEM_332	OCC(C)(C)CO	C126307
PUBCHEM_332	Oc1ccc2ccccc2c1	C135193
PUBCHEM_332	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_332	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_332	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_332	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_332	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_332	Brc1ccc(F)cc1	C460004
PUBCHEM_332	C1=CC=CC1	C542927
PUBCHEM_332	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_332	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_332	O=C1NCCC1	C616455
PUBCHEM_332	O=COC(C)C	C625558
PUBCHEM_332	ClP(c1ccccc1)Cl	C644973
PUBCHEM_332	Cl[Sn](CCCC)(Cl)CCCC	C683181
PUBCHEM_332	OC(C)COc1ccccc1	C770354
PUBCHEM_332	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_332	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_332	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_332	Nc1cccc(C)c1C	C1300738
PUBCHEM_332	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_332	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_332	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_332	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_332	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_332	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_332	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_332	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_332	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_332	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_332	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_332	OCCOCCC	C2807309
PUBCHEM_332	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_332	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_332	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_332	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_332	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_332	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_332	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_332	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_332	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_332	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_332	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_332	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_332	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_332	Nc1c(C)cccc1CC	C24549062
PUBCHEM_332	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_332	Clc1cccc(C)c1	C25168052
PUBCHEM_332	CC(CO)O	C25322694
PUBCHEM_332	SC(C)(C)CCCCCC	C25360105
PUBCHEM_332	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_332	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_332	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_332	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_332	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_332	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_332	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_332	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_332	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_332	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_332	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_332	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_332	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_332	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_332	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_332	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_332	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_332	OCC1OCCC1	C97994
PUBCHEM_332	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_332	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_332	O=C1CCCC1	C120923
PUBCHEM_332	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_332	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_332	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_332	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_332	O=C(C=C(C)C)C	C141797
PUBCHEM_332	Cl[Sn](Cl)(Cl)CCCC	C1118463
PUBCHEM_332	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_332	OC(C)COCCC	C1569013
PUBCHEM_332	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_332	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_332	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_332	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_332	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_332	OCC(CCC)CCCCC	C10042598
PUBCHEM_332	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_332	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_332	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_332	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_332	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_332	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_332	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_332	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_332	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_332	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_332	OC(OCCCC)CC	C29387868
PUBCHEM_332	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_332	ClC(Cl)(C)C	C594207
PUBCHEM_332	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_332	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_332	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_332	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_332	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_332	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_332	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_332	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_332	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_332	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_332	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_332	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_332	OCn1nc(C)cc1C	C85264331
PUBCHEM_332	OCCSCCCCCCCC	C3547339
PUBCHEM_332	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_332	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_332	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_332	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_332	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_332	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_332	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_332	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_332	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_332	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_332	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_332	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_332	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_332	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_332	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_332	OC1CCCC1	C96413
PUBCHEM_332	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_332	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_332	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_332	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_332	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_332	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_332	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_332	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_332	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_332	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_332	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_332	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_332	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_332	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_332	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_332	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_332	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_332	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_332	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_332	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_332	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_332	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_332	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_332	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_332	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_332	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_332	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_332	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_332	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_332	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_332	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_332	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_332	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_332	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_332	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_332	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_332	OC(CCCCC)C=C	C3391864
PUBCHEM_332	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_332	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_332	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_332	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_332	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_332	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_332	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_332	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_332	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_332	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_332	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_332	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_332	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_332	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_332	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_332	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_332	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_332	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_332	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_332	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_332	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_332	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_332	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_332	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_332	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_332	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_332	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_332	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_332	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_332	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_332	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_332	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_332	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_332	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_332	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_332	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_332	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_332	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_332	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_332	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_332	O=C(CC)OCC	C105373
PUBCHEM_332	O=C(c1ccccc1O)C	C118934
PUBCHEM_332	O=C1OCC(CC)O1	C4437858
PUBCHEM_332	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_332	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_332	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_332	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_332	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_332	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_332	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_332	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_332	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_332	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_332	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_332	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_332	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_332	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_332	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_332	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_332	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_332	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_332	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_332	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_332	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_332	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_332	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_332	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_332	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_332	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_332	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_332	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_332	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_332	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_332	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_332	CC(O)COCC	C1569024
PUBCHEM_332	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_332	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_332	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_332	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_332	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_332	Oc1ccccc1CN(C)C	C120650
PUBCHEM_332	O=C1CCC(O1)CC	C695067
PUBCHEM_332	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_332	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_332	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_332	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_332	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_332	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_332	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_332	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_332	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_332	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_332	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_332	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_332	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_332	O=C/C=C/CCC	C6728263
PUBCHEM_332	O1C=CCCC1	C110872
PUBCHEM_332	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_332	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_332	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_332	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_332	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_332	OCC=Cc1ccccc1	C104541
PUBCHEM_332	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_332	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_332	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_332	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_332	NCCCN1CCOCC1	C123002
PUBCHEM_332	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_332	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_332	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_332	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_332	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_332	O=C(CCC)OCCCCC	C540181
PUBCHEM_332	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_332	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_332	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_332	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_332	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_332	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_332	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_332	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_332	N#Cc1c(O)cccc1	C611201
PUBCHEM_332	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_332	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_332	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_332	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_332	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_332	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_332	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_332	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_332	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_332	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_332	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_332	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_332	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_332	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_332	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_332	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_332	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_332	OCCOCC(CC)CCCC	C1559359
PUBCHEM_332	O=C(CC)CCCCC	C106683
PUBCHEM_332	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_332	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_332	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_332	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_332	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_332	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_332	c12ccccc1CC=C2	C95136
PUBCHEM_332	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_332	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_332	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_332	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_332	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_332	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_332	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_332	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_332	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_332	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_332	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_332	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_332	OC(C)C(=O)OCCCC	C138227
PUBCHEM_332	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_332	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_332	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_332	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_332	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_332	Oc1c(OCC)cccc1	C94713
PUBCHEM_332	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_332	COc1ccc(CCC)cc1	C104450
PUBCHEM_332	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_332	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_332	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_332	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_332	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_332	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_332	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_332	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_332	OC(CO)c1ccccc1	C93561
PUBCHEM_332	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_332	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_332	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_332	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_332	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_332	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_332	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_332	O=C(N)Nc1ccccc1	C64108
PUBCHEM_332	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_332	O=C(C)OCCCCCCCC	C112141
PUBCHEM_332	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_332	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_332	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_332	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_332	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_332	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_332	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_332	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_332	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_332	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_332	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_332	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_332	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_332	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_332	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_332	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_332	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_332	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_332	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_332	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_332	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_332	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_332	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_332	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_332	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_332	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_332	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_332	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_332	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_332	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_332	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_332	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_332	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_332	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_332	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_332	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_332	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_332	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_332	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_332	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_332	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_332	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_332	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_332	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_332	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_332	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_332	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_332	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_332	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_332	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_332	OCCOCC(C)OCCO	C9003116
PUBCHEM_332	O=C1OC(CCC)CC1	C105215
PUBCHEM_332	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_332	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_332	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_332	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_332	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_332	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_332	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_332	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_332	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_332	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_332	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_332	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_332	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_332	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_332	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_332	Sc1ccc(C)cc1	C106456
PUBCHEM_332	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_332	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_332	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_332	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_332	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_332	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_332	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_332	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_332	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_332	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_332	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_332	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_332	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_332	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_332	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_332	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_332	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_332	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_332	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_332	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_332	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_332	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_332	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_332	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_332	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_332	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_332	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_332	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_332	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_332	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_332	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_332	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_332	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_332	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_332	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_332	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_332	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_332	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_332	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_332	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_332	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_332	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_332	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_332	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_332	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_332	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_332	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_332	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_332	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_332	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_332	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_332	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_332	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_332	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_332	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_332	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_332	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_332	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_332	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_332	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_332	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_332	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_332	c1ccccc1OCCO	C122996
PUBCHEM_332	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_332	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_332	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_332	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_332	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_332	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_332	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_332	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_332	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_332	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_332	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_332	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_332	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_332	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_332	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_332	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_332	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_332	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_332	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_332	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_332	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_332	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_332	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_332	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_332	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_332	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_332	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_332	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_332	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_332	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_332	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_332	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_332	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_332	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_332	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_332	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_332	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_332	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_332	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_332	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_332	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_332	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_332	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_332	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_332	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_332	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_332	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_332	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_332	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_332	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_332	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_332	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_332	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_332	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_332	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_332	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_332	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_332	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_332	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_332	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_332	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_332	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_332	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_332	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_332	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_332	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_332	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_332	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_332	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_332	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_332	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_332	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_332	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_332	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_332	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_332	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_332	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_332	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_332	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_332	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_332	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_332	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_332	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_332	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_332	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_332	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_332	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_332	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_332	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_332	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_332	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_332	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_332	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_332	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_332	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_332	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_332	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_332	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_332	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_332	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_332	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_332	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_332	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_332	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_332	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_332	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_332	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_332	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_332	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_332	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_332	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_332	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_332	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_332	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_332	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_332	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_332	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_332	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_332	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_332	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_332	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_332	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_332	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_332	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_332	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_332	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_332	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_332	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_332	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_332	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_332	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_332	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_332	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_332	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_332	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_332	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_332	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_332	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_332	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_332	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_332	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_332	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_332	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_332	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_332	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_332	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_332	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_332	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_332	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_332	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_332	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_332	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_332	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_332	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_332	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_332	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_332	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_332	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_332	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_332	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_332	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_332	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_332	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_332	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_332	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_332	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_332	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_332	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_332	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_332	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_332	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_332	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_332	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_332	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_332	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_332	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_332	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_332	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_332	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_332	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_332	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_332	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_332	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_332	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_332	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_332	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_332	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_332	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_332	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_332	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_332	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_332	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_332	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_332	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_332	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_332	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_332	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_332	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_332	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_332	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_332	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_332	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_332	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_332	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_332	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_332	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_332	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_332	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_332	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_332	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_332	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_332	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_332	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_332	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_332	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_332	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_332	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_332	NC(=O)C=C	C79061
PUBCHEM_332	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_332	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_332	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_332	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_332	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_332	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_332	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_332	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_332	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_332	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_332	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_332	c1coc2c1cccc2	C271896
PUBCHEM_332	OC(=O)c1ccccc1	C65850
PUBCHEM_332	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_332	OCc1ccccc1	C100516
PUBCHEM_332	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_332	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_332	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_332	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_332	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_332	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_332	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_332	O=C1CCCO1	C96480
PUBCHEM_332	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_332	O=C1CCCCCN1	C105602
PUBCHEM_332	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_332	Oc1c(cccc1)O	C120809
PUBCHEM_332	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_332	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_332	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_332	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_332	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_332	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_332	O=C(c1ccccc1)CCl	C532274
PUBCHEM_332	Nc1ccc(cc1)Cl	C106478
PUBCHEM_332	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_332	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_332	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_332	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_332	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_332	Nc1cc(ccc1OC)C	C120718
PUBCHEM_332	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_332	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_332	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_332	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_332	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_332	Clc1c(cccc1)Cl	C95501
PUBCHEM_332	Clc1ccc(cc1)Cl	C106467
PUBCHEM_332	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_332	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_332	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_332	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_332	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_332	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_332	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_332	CN(c1ccccc1)C	C121697
PUBCHEM_332	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_332	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_332	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_332	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_332	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_332	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_332	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_332	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_332	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_332	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_332	CCC(CCCC)CO	C104767
PUBCHEM_332	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_332	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_332	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_332	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_332	O=Cc1ccco1	C98011
PUBCHEM_332	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_332	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_332	OCC(O)CO	C56815
PUBCHEM_332	OCC1CO1	C556525
PUBCHEM_332	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_332	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_332	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_332	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_332	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_332	Oc1ccc(cc1)O	C123319
PUBCHEM_332	Oc1cccc2cccnc12	C148243
PUBCHEM_332	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_332	O=C(c1ccncc1)NN	C54853
PUBCHEM_332	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_332	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_332	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_332	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_332	O=C1N(CCC1)C	C872504
PUBCHEM_332	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_332	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_332	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_332	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_332	Cc1cc2cccnc2cc1	C91623
PUBCHEM_332	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_332	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_332	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_332	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_332	c1c2c(ccc1)cccc2	C91203
PUBCHEM_332	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_332	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_332	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_332	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_332	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_332	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_332	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_332	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_332	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_332	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_332	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_332	O=NN(CCCC)CCCC	C924163
PUBCHEM_332	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_332	O=NN(CCC)CCC	C621647
PUBCHEM_332	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_332	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_332	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_332	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_332	Oc1ccccc1	C108952
PUBCHEM_332	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_332	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_332	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_332	Nc1cc(ccc1)N	C108452
PUBCHEM_332	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_332	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_332	O=S1(=O)CCCO1	C1120714
PUBCHEM_332	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_332	CC(CO)O	C57556
PUBCHEM_332	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_332	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_332	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_332	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_332	Oc1cc(ccc1)O	C108463
PUBCHEM_332	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_332	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_332	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_332	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_332	OC(=O)C=CC=CC	C110441
PUBCHEM_332	C1C(c2ccccc2)O1	C96093
PUBCHEM_332	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_332	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_332	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_332	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_332	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_332	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_332	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_332	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_332	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_332	O=C1N(C=C)CCC1	C88120
PUBCHEM_332	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_332	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_332	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_332	OC(=O)CCC	C107926
PUBCHEM_332	CCCCOCCOCCO	C112345
PUBCHEM_332	Oc1ccccc1Cl	C95578
PUBCHEM_332	CCCCCCCCCC(=O)O	C334485
PUBCHEM_332	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_332	O=C(O)CCCCCC	C111148
PUBCHEM_332	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_332	CCCCCC(=O)O	C142621
PUBCHEM_332	CCCCCCCCC(=O)O	C112050
PUBCHEM_332	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_332	CCCCCCCC=O	C124130
PUBCHEM_332	CCCCCCCC(=O)O	C124072
PUBCHEM_332	CCCCC=O	C110623
PUBCHEM_332	CCCCCCCCCCC	C1120214
PUBCHEM_332	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_332	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_332	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_332	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_332	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_332	n1cccc2c1cccc2	C91225
PUBCHEM_332	CCN(CC)c1ccccc1	C91667
PUBCHEM_332	Oc1c(C)cccc1	C95487
PUBCHEM_332	CCC(=NO)C	C96297
PUBCHEM_332	c1ccccc1C(=O)C	C98862
PUBCHEM_332	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_332	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_332	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_332	CCNc1cc(C)ccc1	C102272
PUBCHEM_332	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_332	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_332	Oc1ccc(C)cc1	C106445
PUBCHEM_332	Nc1ccc(C)cc1	C106490
PUBCHEM_332	N#CCCCCC#N	C111693
PUBCHEM_332	CCCCCCCCO	C111875
PUBCHEM_332	CCCCCCCCCCO	C112301
PUBCHEM_332	CCCCCCCCCCCCCO	C112709
PUBCHEM_332	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_332	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_332	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_332	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_332	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_332	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_332	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_332	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_332	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_332	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_332	Clc1cc(Cl)ccc1	C541731
PUBCHEM_332	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_332	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_332	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_332	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_332	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_332	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_332	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_332	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_332	c1(CCCC)ccccc1	C104518
PUBCHEM_332	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_332	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_332	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_332	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_332	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_332	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_332	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_332	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_332	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_332	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_332	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_332	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_332	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_332	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_332	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_332	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_332	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_332	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_332	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_332	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_332	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_332	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_332	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_332	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_332	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_332	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_332	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_332	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_332	Nc1c(OC)cccc1	C90040
PUBCHEM_332	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_332	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_332	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_332	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_332	Cc1ccccc1Cl	C95498
PUBCHEM_332	NC1CCCCC1	C108918
PUBCHEM_332	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_332	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_332	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_332	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_332	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_332	Oc1c(cccc1C)C	C576261
PUBCHEM_332	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_332	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_332	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_332	CCCCOCCO	C111762
PUBCHEM_332	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_332	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_332	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_332	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_332	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_332	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_332	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_332	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_332	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_332	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_332	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_332	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_332	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_332	ON=CC(C)(C)SC	C1646759
PUBCHEM_332	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_332	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_332	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_332	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_332	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_332	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_332	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_332	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_332	Cc1ccc(Cl)cc1	C106434
PUBCHEM_332	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_332	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_332	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_332	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_332	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_332	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_332	C(CCCCCCCC)C	C124185
PUBCHEM_332	Nc1cc(C)ccc1N	C496720
PUBCHEM_332	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_332	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_332	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_332	OC(CCl)CCl	C96231
PUBCHEM_332	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_332	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_332	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_332	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_332	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_332	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_332	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_332	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_332	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_332	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_332	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_332	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_332	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_332	N(c1ccccc1)CC	C103695
PUBCHEM_332	O=C(O)C(CCCC)CC	C149575
PUBCHEM_332	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_332	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_332	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_332	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_332	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_332	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_332	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_332	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_332	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_332	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_332	Nc1c(N)cccc1	C95545
PUBCHEM_332	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_332	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_332	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_332	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_332	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_332	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_332	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_332	Nc1c(cccc1)C	C95534
PUBCHEM_332	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_332	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_332	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_332	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_332	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_332	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_332	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_332	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_332	Nc1c(cccc1C)C	C87627
PUBCHEM_332	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_332	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_332	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_332	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_332	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_332	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_332	N#Cc1cnccc1	C100549
PUBCHEM_332	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_332	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_332	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_332	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_332	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_332	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_332	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_332	OCCC(O)C	C107880
PUBCHEM_332	OC(CC(C)C)C	C108112
PUBCHEM_332	Nc1cccc(C)c1	C108441
PUBCHEM_332	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_332	O=C(OC)CCCCCCC	C111115
PUBCHEM_332	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_332	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_332	OCCOCCCCCC	C112254
PUBCHEM_332	OCCCCCCCCCCC	C112425
PUBCHEM_332	OCCCCCCCCCCCC	C112538
PUBCHEM_332	OCCCCCCCCCCCCCC	C112721
PUBCHEM_332	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_332	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_332	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_332	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_332	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_332	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_332	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_332	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_332	Nc1c(CC)cccc1CC	C579668
PUBCHEM_332	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_332	O=C(C)OCCCCC	C628637
PUBCHEM_332	CCCCCCCCCCCCCCC	C629629
PUBCHEM_332	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_332	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_332	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_332	Cl[Sn](CCCC)(CCCC)CCCC	C1461229
PUBCHEM_332	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_332	Nc1cccc(C)c1N	C2687254
PUBCHEM_332	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_332	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_332	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_332	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_332	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_332	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_332	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_332	OC(OC(O)CC)CC	C25265718
PUBCHEM_332	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_332	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_332	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_332	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_332	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_332	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_332	OC(OCCCOC)CC	C34590948
PUBCHEM_332	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_332	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_332	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_332	O=C(OC)CC(=O)OC	C108598
PUBCHEM_332	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_332	CCC12N(COC1)COC2	C7747355
PUBCHEM_332	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_332	O=C(N)C(=C)C	C79390
PUBCHEM_332	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_332	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_332	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_332	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_332	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_332	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_332	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_332	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_332	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_332	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_332	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_332	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_332	O=Cc1ccccc1C=O	C643798
PUBCHEM_332	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_332	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_332	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_332	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_332	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_332	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_332	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_332	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_332	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_332	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_332	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_332	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_332	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_332	CCCCCCCCN(C)C	C7378996
PUBCHEM_332	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_332	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_332	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_332	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_332	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_332	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_332	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_332	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_332	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_332	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_332	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_332	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_332	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_332	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_332	O=C(CCC)OCC	C105544
PUBCHEM_332	O=C(OCC)CCCCCC	C106309
PUBCHEM_332	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_332	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_332	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_332	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_332	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_332	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_332	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_332	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_332	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_332	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_332	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_332	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_332	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_332	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_332	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_332	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_332	CCCc1ccccc1	C103651
PUBCHEM_332	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_332	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_332	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_332	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_332	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_332	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_332	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_332	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_332	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_332	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_332	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_332	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_332	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_332	CC(C)(C)c1ccccc1	C98066
PUBCHEM_332	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_332	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_332	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_332	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_332	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_332	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_332	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_332	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_332	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_332	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_332	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_332	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_332	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_332	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_332	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_332	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_332	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_332	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_332	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_332	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_332	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_332	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_332	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_332	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_332	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_332	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_332	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_332	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_332	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_332	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_332	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_332	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_332	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_332	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_332	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_332	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_332	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_332	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_332	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_332	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_332	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_332	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_332	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_332	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_332	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_332	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_332	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_332	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_332	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_332	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_332	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_332	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_332	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_332	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_332	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_332	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_332	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_332	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_332	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_332	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_332	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_332	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_332	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_332	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_332	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_332	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_332	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_332	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_332	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_332	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_332	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_332	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_332	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_332	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_332	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_332	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_332	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_332	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_332	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_332	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_332	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_332	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_332	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_332	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_332	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_332	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_332	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_332	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_332	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_332	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_332	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_332	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_332	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_332	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_332	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_332	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_332	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_332	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_332	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_332	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_332	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_332	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_332	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_332	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_332	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_332	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_332	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_332	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_332	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_332	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_332	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_332	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_332	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_332	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_332	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_332	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_332	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_332	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_332	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_332	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_332	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_332	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_332	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_332	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_332	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_332	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_332	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_332	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_332	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_332	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_332	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_332	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_332	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_332	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_332	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_332	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_332	OCCCBr	C627189
PUBCHEM_332	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_332	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_332	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_332	C(CO)C(C)C	C123513
PUBCHEM_332	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_332	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_332	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_332	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_332	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_332	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_332	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_332	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_332	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_332	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_332	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_332	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_332	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_332	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_332	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_332	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_332	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_332	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_332	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_332	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_332	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_332	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_332	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_332	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_332	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_332	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_332	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_332	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_332	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_332	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_332	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_332	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_332	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_332	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_332	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_332	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_332	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_332	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_332	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_332	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_332	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_332	OCCC(OC)C	C2517433
PUBCHEM_332	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_332	S=C(NCCCC)NCCCC	C109466
PUBCHEM_332	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_332	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_332	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_332	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_332	O=C(OCC)c1ccccc1	C93890
PUBCHEM_332	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_332	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_332	NCc1cccc(CN)c1	C1477550
PUBCHEM_332	O=CCCSC	C3268493
PUBCHEM_332	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_332	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_332	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_332	CC(=O)OCCCC	C123864
PUBCHEM_332	CC(=O)CCC(C)C	C110123
PUBCHEM_332	n1cc(C)ccc1	C108996
PUBCHEM_332	CC(=O)CC(C)C	C108101
PUBCHEM_332	CC(C)C=O	C78842
PUBCHEM_332	CCCCCC=O	C66251
PUBCHEM_332	CCCC=O	C123728
PUBCHEM_332	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_332	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_332	CCC1CO1	C106887
PUBCHEM_332	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_332	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_332	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_332	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_332	CC1CC(=O)O1	C3068880
PUBCHEM_332	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_332	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_332	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_332	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_332	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_332	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_332	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_332	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_332	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_332	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_332	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_332	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_332	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_332	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_332	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_332	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_332	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_332	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_332	NNc1ccccc1.Cl	C59881
PUBCHEM_332	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_332	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_332	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_332	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_332	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_332	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_332	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_332	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_332	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_332	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_332	N#Cc1ccccc1	C100470
PUBCHEM_332	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_332	O=C(CCl)CCl	C534076
PUBCHEM_332	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_332	CC(=O)C(=O)O	C127173
PUBCHEM_332	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_332	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_332	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_332	Nc1ccc(Br)cc1	C106401
PUBCHEM_332	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_332	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_332	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_332	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_332	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_332	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_332	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_332	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_332	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_332	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_332	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_332	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_332	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_332	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_332	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_332	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_332	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_332	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_332	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_332	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_332	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_332	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_332	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_332	Nc1ccc(OC)cc1	C104949
PUBCHEM_332	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_332	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_332	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_332	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_332	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_332	O=CC=CC=CCCCCC	C25152845
PUBCHEM_332	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_332	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_332	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_332	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_332	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_332	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_332	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_332	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_332	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_332	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_332	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_332	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_332	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_332	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_332	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_332	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_332	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_332	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_332	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_332	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_332	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_332	OCC=C(C)C	C556821
PUBCHEM_332	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_332	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_332	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_332	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_332	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_332	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_332	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_332	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_332	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_332	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_332	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_332	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_332	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_332	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_332	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_332	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_332	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_332	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_332	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_332	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_332	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_332	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_332	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_332	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_332	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_332	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_332	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_332	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_332	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_332	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_332	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_332	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_332	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_332	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_332	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_332	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_332	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_332	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_332	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_332	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_332	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_332	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_332	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_332	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_332	O=CCCCCCCCCC=C	C112458
PUBCHEM_332	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_332	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_332	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_332	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_332	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_332	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_332	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_332	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_332	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_332	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_332	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_332	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_332	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_332	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_332	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_332	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_332	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_332	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_332	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_332	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_332	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_332	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_332	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_332	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_332	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_332	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_332	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_332	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_332	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_332	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_332	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_332	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_332	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_332	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_332	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_332	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_332	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_332	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_332	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_332	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_332	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_332	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_332	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_332	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_332	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_332	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_332	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_332	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_332	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_332	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_332	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_332	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_332	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_332	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_332	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_332	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_332	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_332	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_332	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_332	Cl[Hg]c1ccccc1	C100561
PUBCHEM_332	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_332	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_332	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_332	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_332	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_332	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_332	O=[As]c1ccccc1	C637036
PUBCHEM_332	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_332	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_332	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_332	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_332	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_332	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_332	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_332	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_332	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_332	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_332	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_332	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_332	O=CN1CCCCC1	C2591868
PUBCHEM_332	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_332	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_332	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_332	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_332	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_332	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_332	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_332	BrCCCCCCCCCCCC	C143157
PUBCHEM_332	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_332	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_332	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_332	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_332	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_332	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_332	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_332	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_332	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_332	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_332	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_332	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_332	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_332	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_332	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_332	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_332	O=C(OCCCCO)C=C	C2478106
PUBCHEM_332	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_332	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_332	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_332	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_332	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_332	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_332	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_332	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_332	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_332	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_332	NCCCOCCCCCCCC	C15930662
PUBCHEM_332	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_332	Nc1cccc(C)n1	C1824813
PUBCHEM_332	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_332	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_332	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_332	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_332	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_332	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_332	CC1COc2ccccc2N1	C32329207
PUBCHEM_332	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_332	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_332	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_332	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_332	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_332	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_332	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_332	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_332	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_332	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_332	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_332	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_332	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_332	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_332	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_332	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_332	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_332	SC1CCCC1	C1679078
PUBCHEM_332	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_332	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_332	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_332	S=C=NCCCSC	C505793
PUBCHEM_332	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_332	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_332	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_332	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_332	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_332	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_332	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_332	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_332	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_332	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_332	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_332	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_332	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_332	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_332	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_332	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_332	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_332	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_332	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_332	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_332	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_332	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_332	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_332	CCCCCc1ccco1	C3777693
PUBCHEM_332	CCC(=O)C(=O)CC	C4437518
PUBCHEM_332	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_332	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_333	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_333	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_333	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_333	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_333	CC(=O)OCc1ccccc1	C140114
PUBCHEM_333	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_333	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_333	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_333	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_333	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_333	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_333	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_333	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_333	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_333	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_333	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_333	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_333	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_333	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_333	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_333	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_333	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_333	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_333	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_333	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_333	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_333	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_333	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_333	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_333	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_333	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_333	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_333	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_333	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_333	c1cccc2[nH]ccc12	C120729
PUBCHEM_333	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_333	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_333	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_333	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_333	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_333	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_333	C=Cc1ccc(cc1)C	C622979
PUBCHEM_333	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_333	NC(=O)c1cccnc1	C98920
PUBCHEM_333	OC(=O)c1cccnc1	C59676
PUBCHEM_333	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_333	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_333	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_333	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_333	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_333	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_333	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_333	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_333	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_333	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_333	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_333	Nc1ccccc1C.Cl	C636215
PUBCHEM_333	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_333	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_333	O=CCc1ccccc1	C122781
PUBCHEM_333	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_333	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_333	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_333	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_333	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_333	O=Cc1ccccc1O	C90028
PUBCHEM_333	Oc1cccc2ccccc12	C90153
PUBCHEM_333	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_333	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_333	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_333	CC(O)CC(C)(C)O	C107415
PUBCHEM_333	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_333	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_333	Oc1ccc(CC)cc1	C123079
PUBCHEM_333	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_333	O=C(OC(C)(C)C)C	C540885
PUBCHEM_333	Oc1ccc(CCC)cc1	C645567
PUBCHEM_333	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_333	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_333	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_333	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_333	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_333	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_333	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_333	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_333	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_333	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_333	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_333	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_333	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_333	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_333	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_333	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_333	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_333	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_333	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_333	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_333	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_333	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_333	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_333	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_333	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_333	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_333	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_333	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_333	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_333	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_333	c1(c(CC)cccc1)O	C90006
PUBCHEM_333	c1c(O)cccc1CC	C620177
PUBCHEM_333	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_333	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_333	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_333	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_333	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_333	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_333	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_333	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_333	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_333	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_333	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_333	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_333	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_333	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_333	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_333	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_333	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_333	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_333	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_333	NC(CO)(CO)CO	C77861
PUBCHEM_333	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_333	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_333	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_333	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_333	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_333	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_333	CC(=C)C#N	C126987
PUBCHEM_333	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_333	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_333	Cc1cc(O)ccc1	C108394
PUBCHEM_333	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_333	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_333	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_333	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_333	C(C)(C)(C)N	C75649
PUBCHEM_333	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_333	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_333	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_333	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_333	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_333	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_333	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_333	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_333	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_333	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_333	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_333	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_333	Cc1c(C)cccc1O	C526750
PUBCHEM_333	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_333	C=Cc1ccccc1C=C	C1321740
PUBCHEM_333	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_333	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_333	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_333	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_333	C(CC)(C=O)CCCC	C123057
PUBCHEM_333	OCC(C(O)CCC)CC	C94962
PUBCHEM_333	CCC(=CCCC)C=O	C645625
PUBCHEM_333	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_333	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_333	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_333	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_333	C(C)(C)(O)C#N	C75865
PUBCHEM_333	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_333	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_333	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_333	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_333	N#CC(CCC#N)C	C4553622
PUBCHEM_333	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_333	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_333	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_333	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_333	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_333	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_333	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_333	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_333	c12ccccc1CCCC2	C119642
PUBCHEM_333	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_333	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_333	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_333	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_333	Cc1cccc(C)c1	C108383
PUBCHEM_333	OCCc1ccccc1	C60128
PUBCHEM_333	O=C(O)c1ccccc1O	C69727
PUBCHEM_333	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_333	N#CC(C)C	C78820
PUBCHEM_333	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_333	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_333	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_333	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_333	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_333	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_333	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_333	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_333	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_333	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_333	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_333	OCC(CO)(CO)CO	C115775
PUBCHEM_333	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_333	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_333	OCC(N)(C)C	C124685
PUBCHEM_333	OCC(C)(C)CO	C126307
PUBCHEM_333	Oc1ccc2ccccc2c1	C135193
PUBCHEM_333	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_333	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_333	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_333	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_333	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_333	Nc1cccc(C)c1C	C1300738
PUBCHEM_333	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_333	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_333	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_333	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_333	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_333	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_333	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_333	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_333	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_333	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_333	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_333	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_333	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_333	Nc1c(C)cccc1CC	C24549062
PUBCHEM_333	Clc1cccc(C)c1	C25168052
PUBCHEM_333	SC(C)(C)CCCCCC	C25360105
PUBCHEM_333	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_333	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_333	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_333	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_333	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_333	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_333	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_333	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_333	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_333	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_333	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_333	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_333	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_333	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_333	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_333	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_333	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_333	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_333	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_333	O=C(C=C(C)C)C	C141797
PUBCHEM_333	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_333	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_333	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_333	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_333	OCC(CCC)CCCCC	C10042598
PUBCHEM_333	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_333	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_333	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_333	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_333	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_333	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_333	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_333	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_333	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_333	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_333	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_333	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_333	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_333	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_333	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_333	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_333	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_333	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_333	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_333	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_333	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_333	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_333	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_333	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_333	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_333	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_333	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_333	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_333	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_333	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_333	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_333	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_333	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_333	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_333	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_333	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_333	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_333	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_333	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_333	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_333	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_333	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_333	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_333	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_333	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_333	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_333	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_333	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_333	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_333	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_333	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_333	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_333	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_333	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_333	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_333	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_333	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_333	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_333	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_333	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_333	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_333	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_333	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_333	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_333	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_333	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_333	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_333	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_333	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_333	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_333	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_333	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_333	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_333	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_333	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_333	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_333	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_333	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_333	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_333	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_333	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_333	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_333	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_333	O=C(c1ccccc1O)C	C118934
PUBCHEM_333	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_333	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_333	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_333	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_333	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_333	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_333	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_333	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_333	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_333	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_333	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_333	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_333	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_333	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_333	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_333	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_333	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_333	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_333	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_333	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_333	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_333	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_333	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_333	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_333	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_333	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_333	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_333	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_333	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_333	Oc1ccccc1CN(C)C	C120650
PUBCHEM_333	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_333	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_333	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_333	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_333	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_333	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_333	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_333	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_333	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_333	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_333	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_333	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_333	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_333	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_333	OCC=Cc1ccccc1	C104541
PUBCHEM_333	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_333	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_333	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_333	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_333	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_333	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_333	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_333	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_333	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_333	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_333	N#Cc1c(O)cccc1	C611201
PUBCHEM_333	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_333	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_333	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_333	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_333	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_333	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_333	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_333	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_333	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_333	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_333	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_333	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_333	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_333	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_333	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_333	OCCOCC(CC)CCCC	C1559359
PUBCHEM_333	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_333	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_333	c12ccccc1CC=C2	C95136
PUBCHEM_333	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_333	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_333	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_333	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_333	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_333	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_333	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_333	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_333	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_333	COc1ccc(CCC)cc1	C104450
PUBCHEM_333	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_333	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_333	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_333	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_333	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_333	OC(CO)c1ccccc1	C93561
PUBCHEM_333	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_333	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_333	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_333	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_333	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_333	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_333	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_333	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_333	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_333	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_333	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_333	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_333	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_333	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_333	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_333	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_333	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_333	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_333	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_333	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_333	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_333	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_333	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_333	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_333	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_333	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_333	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_333	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_333	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_333	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_333	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_333	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_333	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_333	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_333	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_333	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_333	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_333	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_333	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_333	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_333	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_333	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_333	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_333	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_333	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_333	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_333	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_333	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_333	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_333	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_333	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_333	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_333	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_333	Sc1ccc(C)cc1	C106456
PUBCHEM_333	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_333	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_333	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_333	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_333	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_333	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_333	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_333	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_333	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_333	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_333	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_333	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_333	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_333	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_333	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_333	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_333	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_333	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_333	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_333	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_333	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_333	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_333	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_333	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_333	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_333	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_333	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_333	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_333	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_333	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_333	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_333	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_333	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_333	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_333	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_333	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_333	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_333	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_333	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_333	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_333	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_333	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_333	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_333	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_333	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_333	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_333	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_333	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_333	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_333	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_333	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_333	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_333	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_333	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_333	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_333	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_333	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_333	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_333	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_333	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_333	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_333	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_333	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_333	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_333	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_333	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_333	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_333	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_333	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_333	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_333	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_333	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_333	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_333	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_333	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_333	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_333	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_333	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_333	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_333	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_333	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_333	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_333	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_333	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_333	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_333	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_333	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_333	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_333	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_333	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_333	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_333	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_333	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_333	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_333	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_333	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_333	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_333	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_333	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_333	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_333	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_333	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_333	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_333	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_333	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_333	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_333	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_333	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_333	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_333	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_333	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_333	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_333	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_333	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_333	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_333	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_333	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_333	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_333	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_333	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_333	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_333	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_333	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_333	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_333	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_333	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_333	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_333	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_333	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_333	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_333	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_333	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_333	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_333	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_333	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_333	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_333	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_333	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_333	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_333	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_333	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_333	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_333	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_333	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_333	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_333	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_333	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_333	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_333	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_333	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_333	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_333	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_333	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_333	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_333	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_333	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_333	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_333	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_333	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_333	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_333	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_333	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_333	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_333	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_333	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_333	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_333	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_333	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_333	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_333	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_333	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_333	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_333	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_333	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_333	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_333	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_333	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_333	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_333	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_333	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_333	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_333	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_333	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_333	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_333	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_333	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_333	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_333	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_333	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_333	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_333	c1coc2c1cccc2	C271896
PUBCHEM_333	OC(=O)c1ccccc1	C65850
PUBCHEM_333	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_333	OCc1ccccc1	C100516
PUBCHEM_333	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_333	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_333	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_333	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_333	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_333	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_333	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_333	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_333	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_333	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_333	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_333	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_333	O=C(c1ccccc1)CCl	C532274
PUBCHEM_333	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_333	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_333	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_333	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_333	Nc1cc(ccc1OC)C	C120718
PUBCHEM_333	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_333	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_333	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_333	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_333	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_333	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_333	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_333	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_333	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_333	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_333	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_333	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_333	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_333	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_333	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_333	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_333	CCC(CCCC)CO	C104767
PUBCHEM_333	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_333	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_333	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_333	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_333	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_333	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_333	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_333	Oc1cccc2cccnc12	C148243
PUBCHEM_333	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_333	O=C(c1ccncc1)NN	C54853
PUBCHEM_333	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_333	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_333	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_333	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_333	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_333	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_333	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_333	Cc1cc2cccnc2cc1	C91623
PUBCHEM_333	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_333	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_333	c1c2c(ccc1)cccc2	C91203
PUBCHEM_333	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_333	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_333	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_333	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_333	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_333	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_333	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_333	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_333	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_333	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_333	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_333	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_333	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_333	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_333	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_333	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_333	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_333	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_333	C1C(c2ccccc2)O1	C96093
PUBCHEM_333	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_333	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_333	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_333	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_333	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_333	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_333	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_333	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_333	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_333	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_333	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_333	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_333	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_333	n1cccc2c1cccc2	C91225
PUBCHEM_333	Oc1c(C)cccc1	C95487
PUBCHEM_333	c1ccccc1C(=O)C	C98862
PUBCHEM_333	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_333	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_333	CCNc1cc(C)ccc1	C102272
PUBCHEM_333	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_333	Oc1ccc(C)cc1	C106445
PUBCHEM_333	Nc1ccc(C)cc1	C106490
PUBCHEM_333	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_333	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_333	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_333	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_333	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_333	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_333	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_333	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_333	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_333	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_333	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_333	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_333	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_333	c1(CCCC)ccccc1	C104518
PUBCHEM_333	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_333	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_333	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_333	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_333	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_333	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_333	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_333	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_333	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_333	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_333	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_333	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_333	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_333	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_333	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_333	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_333	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_333	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_333	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_333	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_333	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_333	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_333	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_333	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_333	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_333	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_333	Cc1ccccc1Cl	C95498
PUBCHEM_333	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_333	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_333	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_333	Oc1c(cccc1C)C	C576261
PUBCHEM_333	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_333	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_333	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_333	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_333	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_333	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_333	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_333	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_333	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_333	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_333	ON=CC(C)(C)SC	C1646759
PUBCHEM_333	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_333	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_333	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_333	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_333	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_333	Cc1ccc(Cl)cc1	C106434
PUBCHEM_333	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_333	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_333	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_333	Nc1cc(C)ccc1N	C496720
PUBCHEM_333	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_333	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_333	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_333	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_333	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_333	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_333	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_333	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_333	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_333	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_333	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_333	O=C(O)C(CCCC)CC	C149575
PUBCHEM_333	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_333	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_333	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_333	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_333	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_333	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_333	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_333	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_333	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_333	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_333	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_333	Nc1c(cccc1)C	C95534
PUBCHEM_333	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_333	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_333	Nc1c(cccc1C)C	C87627
PUBCHEM_333	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_333	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_333	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_333	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_333	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_333	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_333	N#Cc1cnccc1	C100549
PUBCHEM_333	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_333	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_333	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_333	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_333	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_333	OC(CC(C)C)C	C108112
PUBCHEM_333	Nc1cccc(C)c1	C108441
PUBCHEM_333	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_333	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_333	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_333	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_333	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_333	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_333	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_333	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_333	Nc1c(CC)cccc1CC	C579668
PUBCHEM_333	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_333	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_333	Nc1cccc(C)c1N	C2687254
PUBCHEM_333	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_333	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_333	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_333	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_333	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_333	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_333	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_333	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_333	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_333	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_333	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_333	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_333	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_333	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_333	CCC12N(COC1)COC2	C7747355
PUBCHEM_333	O=C(N)C(=C)C	C79390
PUBCHEM_333	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_333	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_333	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_333	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_333	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_333	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_333	O=Cc1ccccc1C=O	C643798
PUBCHEM_333	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_333	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_333	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_333	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_333	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_333	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_333	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_333	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_333	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_333	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_333	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_333	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_333	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_333	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_333	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_333	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_333	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_333	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_333	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_333	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_333	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_333	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_333	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_333	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_333	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_333	CCCc1ccccc1	C103651
PUBCHEM_333	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_333	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_333	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_333	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_333	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_333	CC(C)(C)c1ccccc1	C98066
PUBCHEM_333	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_333	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_333	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_333	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_333	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_333	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_333	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_333	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_333	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_333	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_333	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_333	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_333	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_333	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_333	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_333	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_333	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_333	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_333	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_333	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_333	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_333	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_333	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_333	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_333	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_333	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_333	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_333	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_333	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_333	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_333	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_333	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_333	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_333	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_333	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_333	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_333	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_333	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_333	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_333	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_333	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_333	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_333	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_333	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_333	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_333	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_333	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_333	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_333	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_333	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_333	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_333	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_333	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_333	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_333	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_333	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_333	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_333	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_333	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_333	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_333	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_333	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_333	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_333	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_333	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_333	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_333	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_333	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_333	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_333	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_333	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_333	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_333	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_333	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_333	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_333	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_333	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_333	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_333	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_333	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_333	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_333	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_333	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_333	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_333	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_333	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_333	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_333	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_333	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_333	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_333	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_333	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_333	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_333	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_333	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_333	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_333	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_333	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_333	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_333	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_333	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_333	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_333	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_333	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_333	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_333	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_333	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_333	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_333	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_333	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_333	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_333	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_333	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_333	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_333	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_333	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_333	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_333	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_333	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_333	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_333	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_333	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_333	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_333	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_333	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_333	C(CO)C(C)C	C123513
PUBCHEM_333	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_333	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_333	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_333	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_333	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_333	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_333	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_333	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_333	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_333	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_333	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_333	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_333	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_333	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_333	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_333	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_333	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_333	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_333	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_333	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_333	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_333	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_333	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_333	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_333	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_333	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_333	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_333	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_333	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_333	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_333	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_333	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_333	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_333	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_333	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_333	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_333	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_333	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_333	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_333	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_333	O=C(OCC)c1ccccc1	C93890
PUBCHEM_333	NCc1cccc(CN)c1	C1477550
PUBCHEM_333	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_333	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_333	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_333	CC(=O)CCC(C)C	C110123
PUBCHEM_333	n1cc(C)ccc1	C108996
PUBCHEM_333	CC(=O)CC(C)C	C108101
PUBCHEM_333	CC(C)C=O	C78842
PUBCHEM_333	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_333	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_333	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_333	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_333	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_333	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_333	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_333	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_333	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_333	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_333	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_333	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_333	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_333	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_333	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_333	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_333	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_333	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_333	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_333	N#Cc1ccccc1	C100470
PUBCHEM_333	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_333	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_333	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_333	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_333	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_333	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_333	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_333	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_333	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_333	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_333	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_333	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_333	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_333	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_333	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_333	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_333	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_333	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_333	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_333	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_333	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_333	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_333	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_333	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_333	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_333	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_333	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_333	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_333	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_333	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_333	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_333	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_333	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_333	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_333	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_333	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_333	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_333	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_333	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_333	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_333	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_333	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_333	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_333	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_333	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_333	OCC=C(C)C	C556821
PUBCHEM_333	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_333	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_333	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_333	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_333	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_333	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_333	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_333	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_333	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_333	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_333	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_333	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_333	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_333	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_333	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_333	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_333	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_333	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_333	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_333	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_333	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_333	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_333	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_333	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_333	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_333	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_333	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_333	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_333	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_333	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_333	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_333	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_333	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_333	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_333	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_333	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_333	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_333	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_333	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_333	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_333	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_333	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_333	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_333	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_333	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_333	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_333	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_333	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_333	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_333	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_333	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_333	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_333	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_333	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_333	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_333	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_333	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_333	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_333	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_333	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_333	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_333	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_333	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_333	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_333	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_333	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_333	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_333	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_333	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_333	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_333	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_333	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_333	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_333	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_333	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_333	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_333	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_333	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_333	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_333	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_333	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_333	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_333	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_333	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_333	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_333	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_333	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_333	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_333	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_333	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_333	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_333	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_333	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_333	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_333	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_333	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_333	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_333	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_333	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_333	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_333	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_333	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_333	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_333	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_333	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_333	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_333	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_333	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_333	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_333	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_333	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_333	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_333	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_333	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_333	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_333	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_333	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_333	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_333	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_333	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_333	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_333	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_333	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_333	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_333	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_333	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_333	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_333	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_333	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_333	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_333	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_333	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_333	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_333	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_333	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_333	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_333	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_333	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_333	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_333	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_333	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_334	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_334	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_334	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_334	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_334	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_334	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_334	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_334	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_334	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_334	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_334	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_334	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_334	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_334	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_334	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_334	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_334	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_334	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_334	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_334	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_334	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_334	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_334	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_334	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_334	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_334	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_334	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_334	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_334	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_334	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_334	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_334	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_334	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_334	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_334	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_334	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_334	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_334	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_334	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_334	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_334	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_334	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_334	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_334	OCC(CO)(CO)CO	C115775
PUBCHEM_334	OCC(C)(C)CO	C126307
PUBCHEM_334	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_334	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_334	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_334	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_334	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_334	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_334	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_334	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_334	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_334	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_334	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_334	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_334	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_334	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_334	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_334	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_334	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_334	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_334	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_334	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_334	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_334	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_334	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_334	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_334	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_334	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_334	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_334	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_334	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_334	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_334	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_334	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_334	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_334	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_334	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_334	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_334	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_334	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_334	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_334	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_334	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_334	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_334	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_334	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_334	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_334	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_334	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_334	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_334	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_334	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_334	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_334	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_334	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_334	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_334	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_334	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_334	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_334	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_334	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_334	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_334	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_334	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_334	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_334	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_334	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_334	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_334	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_334	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_334	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_334	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_334	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_334	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_334	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_334	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_334	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_334	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_334	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_334	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_334	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_334	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_334	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_334	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_334	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_334	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_334	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_334	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_334	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_334	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_334	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_334	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_334	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_334	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_334	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_334	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_334	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_334	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_334	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_334	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_334	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_334	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_334	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_334	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_334	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_334	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_334	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_334	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_334	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_334	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_334	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_334	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_334	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_334	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_334	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_334	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_334	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_334	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_334	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_334	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_334	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_334	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_334	CC(C)(C)c1ccccc1	C98066
PUBCHEM_334	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_334	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_334	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_334	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_334	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_334	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_334	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_334	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_334	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_334	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_334	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_334	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_334	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_334	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_334	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_334	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_334	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_334	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_334	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_334	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_334	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_334	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_334	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_334	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_334	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_334	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_334	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_334	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_334	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_334	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_334	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_334	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_334	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_334	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_334	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_334	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_334	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_334	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_334	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_334	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_334	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_334	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_334	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_334	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_334	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_334	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_334	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_334	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_334	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_334	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_334	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_334	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_334	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_334	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_334	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_334	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_334	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_334	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_334	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_335	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_335	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_335	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_335	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_335	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_335	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_335	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_335	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_335	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_335	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_335	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_335	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_335	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_335	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_335	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_335	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_335	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_335	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_335	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_335	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_335	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_335	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_335	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_335	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_335	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_335	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_335	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_335	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_335	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_335	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_335	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_335	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_335	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_335	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_335	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_335	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_335	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_335	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_335	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_335	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_335	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_335	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_335	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_335	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_335	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_335	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_335	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_335	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_335	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_335	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_335	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_335	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_335	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_335	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_335	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_335	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_335	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_335	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_335	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_335	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_335	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_335	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_335	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_335	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_335	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_335	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_335	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_335	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_335	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_335	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_335	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_335	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_335	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_335	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_335	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_335	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_335	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_335	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_335	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_335	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_335	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_335	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_335	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_335	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_335	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_335	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_335	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_335	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_335	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_335	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_335	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_335	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_335	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_335	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_335	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_335	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_335	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_335	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_335	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_335	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_335	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_335	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_335	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_335	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_335	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_335	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_335	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_335	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_335	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_335	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_335	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_335	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_335	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_335	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_335	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_335	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_335	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_335	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_335	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_335	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_335	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_336	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_336	NC(CO)(CO)CO	C77861
PUBCHEM_336	C(C)(C)(C)N	C75649
PUBCHEM_336	OCC(N)(C)C	C124685
PUBCHEM_336	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_336	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_336	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_336	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_336	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_336	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_336	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_336	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_336	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_336	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_336	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_336	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_336	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_336	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_336	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_336	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_336	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_336	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_336	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_336	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_336	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_336	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_336	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_336	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_336	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_336	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_336	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_336	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_336	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_336	CCC12N(COC1)COC2	C7747355
PUBCHEM_336	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_336	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_336	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_336	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_336	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_336	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_336	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_336	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_336	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_336	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_336	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_336	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_336	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_336	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_336	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_336	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_336	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_336	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_336	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_336	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_337	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_337	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_337	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_337	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_337	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_337	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_337	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_337	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_337	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_337	CC(O)CC(C)(C)O	C107415
PUBCHEM_337	O=C(OC(C)(C)C)C	C540885
PUBCHEM_337	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_337	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_337	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_337	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_337	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_337	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_337	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_337	C(C)(C)(O)C#N	C75865
PUBCHEM_337	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_337	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_337	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_337	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_337	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_337	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_337	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_337	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_337	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_337	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_337	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_337	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_337	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_337	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_337	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_337	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_337	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_337	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_337	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_337	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_337	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_337	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_337	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_337	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_337	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_337	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_337	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_337	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_337	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_337	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_337	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_337	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_337	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_337	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_337	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_337	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_337	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_337	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_337	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_337	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_337	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_337	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_337	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_337	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_337	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_337	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_337	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_337	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_337	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_337	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_337	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_337	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_337	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_337	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_337	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_337	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_337	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_337	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_337	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_337	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_337	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_337	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_337	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_337	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_337	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_337	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_337	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_337	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_337	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_337	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_337	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_337	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_337	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_337	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_337	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_337	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_337	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_337	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_337	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_337	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_337	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_337	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_337	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_337	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_337	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_337	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_337	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_337	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_337	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_337	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_337	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_337	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_337	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_337	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_337	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_337	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_337	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_337	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_337	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_337	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_337	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_337	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_337	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_337	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_337	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_337	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_337	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_337	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_337	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_337	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_337	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_337	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_337	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_337	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_337	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_337	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_337	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_337	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_337	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_338	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_338	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_338	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_338	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_338	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_338	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_338	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_338	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_338	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_338	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_338	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_338	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_338	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_338	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_338	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_338	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_338	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_338	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_338	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_338	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_338	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_338	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_338	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_338	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_338	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_338	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_338	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_338	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_338	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_338	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_338	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_338	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_338	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_338	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_338	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_338	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_338	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_338	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_338	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_338	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_338	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_338	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_338	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_338	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_338	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_338	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_338	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_338	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_338	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_338	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_338	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_338	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_338	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_338	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_338	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_338	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_338	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_338	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_338	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_338	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_338	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_338	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_338	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_338	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_338	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_338	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_338	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_339	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_339	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_339	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_339	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_339	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_339	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_339	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_339	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_339	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_339	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_339	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_339	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_339	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_339	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_339	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_339	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_339	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_339	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_339	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_339	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_339	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_339	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_339	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_339	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_339	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_339	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_339	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_339	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_339	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_339	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_339	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_339	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_339	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_339	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_339	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_339	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_339	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_339	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_339	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_339	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_339	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_339	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_339	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_339	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_339	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_339	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_339	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_339	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_339	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_339	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_339	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_339	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_339	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_339	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_339	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_339	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_339	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_339	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_339	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_339	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_339	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_339	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_339	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_339	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_339	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_339	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_339	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_339	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_339	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_339	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_339	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_339	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_339	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_339	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_339	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_339	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_339	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_339	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_339	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_339	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_339	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_339	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_339	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_339	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_339	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_339	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_339	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_339	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_339	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_339	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_339	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_339	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_339	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_339	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_339	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_339	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_339	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_339	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_339	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_339	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_339	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_339	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_339	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_339	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_339	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_339	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_339	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_339	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_339	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_340	Nc1ccccc1.Cl	C142041
PUBCHEM_340	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_340	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_340	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_340	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_340	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_340	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_340	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_340	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_340	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_340	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_340	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_340	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_340	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_340	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_340	c1cccc2[nH]ccc12	C120729
PUBCHEM_340	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_340	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_340	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_340	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_340	Nc1ccc(cc1)N	C106503
PUBCHEM_340	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_340	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_340	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_340	Nc1ccccc1C.Cl	C636215
PUBCHEM_340	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_340	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_340	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_340	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_340	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_340	ON=C1CCCCC1	C100641
PUBCHEM_340	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_340	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_340	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_340	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_340	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_340	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_340	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_340	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_340	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_340	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_340	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_340	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_340	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_340	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_340	NC(CO)(CO)CO	C77861
PUBCHEM_340	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_340	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_340	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_340	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_340	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_340	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_340	c1ccc2ncsc2c1	C95169
PUBCHEM_340	C(C)(C)(C)N	C75649
PUBCHEM_340	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_340	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_340	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_340	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_340	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_340	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_340	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_340	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_340	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_340	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_340	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_340	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_340	OCC(N)(C)C	C124685
PUBCHEM_340	Nc1cccc(C)c1C	C1300738
PUBCHEM_340	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_340	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_340	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_340	Nc1c(C)cccc1CC	C24549062
PUBCHEM_340	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_340	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_340	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_340	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_340	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_340	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_340	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_340	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_340	OCn1nc(C)cc1C	C85264331
PUBCHEM_340	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_340	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_340	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_340	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_340	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_340	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_340	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_340	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_340	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_340	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_340	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_340	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_340	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_340	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_340	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_340	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_340	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_340	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_340	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_340	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_340	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_340	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_340	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_340	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_340	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_340	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_340	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_340	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_340	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_340	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_340	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_340	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_340	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_340	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_340	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_340	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_340	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_340	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_340	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_340	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_340	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_340	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_340	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_340	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_340	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_340	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_340	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_340	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_340	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_340	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_340	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_340	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_340	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_340	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_340	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_340	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_340	O=C(N)Nc1ccccc1	C64108
PUBCHEM_340	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_340	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_340	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_340	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_340	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_340	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_340	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_340	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_340	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_340	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_340	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_340	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_340	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_340	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_340	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_340	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_340	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_340	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_340	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_340	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_340	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_340	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_340	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_340	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_340	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_340	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_340	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_340	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_340	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_340	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_340	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_340	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_340	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_340	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_340	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_340	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_340	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_340	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_340	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_340	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_340	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_340	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_340	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_340	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_340	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_340	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_340	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_340	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_340	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_340	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_340	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_340	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_340	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_340	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_340	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_340	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_340	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_340	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_340	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_340	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_340	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_340	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_340	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_340	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_340	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_340	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_340	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_340	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_340	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_340	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_340	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_340	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_340	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_340	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_340	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_340	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_340	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_340	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_340	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_340	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_340	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_340	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_340	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_340	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_340	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_340	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_340	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_340	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_340	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_340	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_340	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_340	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_340	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_340	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_340	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_340	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_340	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_340	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_340	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_340	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_340	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_340	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_340	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_340	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_340	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_340	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_340	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_340	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_340	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_340	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_340	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_340	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_340	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_340	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_340	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_340	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_340	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_340	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_340	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_340	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_340	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_340	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_340	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_340	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_340	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_340	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_340	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_340	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_340	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_340	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_340	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_340	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_340	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_340	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_340	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_340	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_340	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_340	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_340	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_340	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_340	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_340	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_340	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_340	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_340	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_340	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_340	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_340	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_340	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_340	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_340	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_340	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_340	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_340	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_340	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_340	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_340	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_340	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_340	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_340	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_340	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_340	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_340	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_340	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_340	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_340	Nc1ccc(cc1)Cl	C106478
PUBCHEM_340	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_340	Nc1cc(ccc1OC)C	C120718
PUBCHEM_340	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_340	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_340	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_340	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_340	CN(c1ccccc1)C	C121697
PUBCHEM_340	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_340	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_340	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_340	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_340	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_340	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_340	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_340	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_340	Oc1cccc2cccnc12	C148243
PUBCHEM_340	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_340	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_340	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_340	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_340	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_340	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_340	Cc1cc2cccnc2cc1	C91623
PUBCHEM_340	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_340	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_340	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_340	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_340	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_340	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_340	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_340	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_340	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_340	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_340	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_340	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_340	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_340	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_340	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_340	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_340	Nc1cc(ccc1)N	C108452
PUBCHEM_340	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_340	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_340	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_340	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_340	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_340	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_340	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_340	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_340	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_340	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_340	n1cccc2c1cccc2	C91225
PUBCHEM_340	CCN(CC)c1ccccc1	C91667
PUBCHEM_340	CCC(=NO)C	C96297
PUBCHEM_340	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_340	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_340	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_340	CCNc1cc(C)ccc1	C102272
PUBCHEM_340	Nc1ccc(C)cc1	C106490
PUBCHEM_340	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_340	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_340	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_340	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_340	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_340	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_340	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_340	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_340	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_340	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_340	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_340	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_340	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_340	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_340	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_340	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_340	Nc1c(OC)cccc1	C90040
PUBCHEM_340	NC1CCCCC1	C108918
PUBCHEM_340	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_340	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_340	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_340	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_340	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_340	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_340	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_340	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_340	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_340	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_340	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_340	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_340	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_340	Nc1cc(C)ccc1N	C496720
PUBCHEM_340	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_340	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_340	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_340	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_340	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_340	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_340	N(c1ccccc1)CC	C103695
PUBCHEM_340	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_340	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_340	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_340	Nc1c(N)cccc1	C95545
PUBCHEM_340	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_340	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_340	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_340	Nc1c(cccc1)C	C95534
PUBCHEM_340	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_340	Nc1c(cccc1C)C	C87627
PUBCHEM_340	Nc1cccc(C)c1	C108441
PUBCHEM_340	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_340	Nc1c(CC)cccc1CC	C579668
PUBCHEM_340	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_340	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_340	Nc1cccc(C)c1N	C2687254
PUBCHEM_340	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_340	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_340	CCC12N(COC1)COC2	C7747355
PUBCHEM_340	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_340	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_340	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_340	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_340	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_340	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_340	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_340	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_340	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_340	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_340	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_340	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_340	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_340	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_340	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_340	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_340	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_340	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_340	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_340	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_340	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_340	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_340	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_340	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_340	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_340	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_340	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_340	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_340	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_340	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_340	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_340	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_340	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_340	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_340	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_340	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_340	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_340	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_340	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_340	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_340	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_340	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_340	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_340	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_340	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_340	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_340	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_340	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_340	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_340	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_340	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_340	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_340	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_340	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_340	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_340	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_340	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_340	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_340	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_340	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_340	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_340	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_340	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_340	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_340	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_340	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_340	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_340	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_340	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_340	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_340	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_340	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_340	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_340	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_340	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_340	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_340	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_340	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_340	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_340	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_340	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_340	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_340	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_340	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_340	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_340	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_340	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_340	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_340	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_340	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_340	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_340	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_340	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_340	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_340	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_340	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_340	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_340	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_340	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_340	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_340	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_340	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_340	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_340	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_340	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_340	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_340	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_340	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_340	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_340	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_340	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_340	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_340	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_340	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_340	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_340	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_340	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_340	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_340	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_340	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_340	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_340	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_340	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_340	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_340	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_340	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_340	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_340	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_340	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_340	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_340	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_340	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_340	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_340	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_340	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_340	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_340	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_340	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_340	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_340	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_340	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_340	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_340	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_340	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_340	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_340	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_340	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_340	NNc1ccccc1.Cl	C59881
PUBCHEM_340	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_340	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_340	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_340	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_340	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_340	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_340	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_340	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_340	Nc1ccc(Br)cc1	C106401
PUBCHEM_340	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_340	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_340	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_340	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_340	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_340	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_340	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_340	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_340	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_340	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_340	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_340	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_340	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_340	Nc1ccc(OC)cc1	C104949
PUBCHEM_340	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_340	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_340	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_340	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_340	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_340	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_340	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_340	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_340	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_340	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_340	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_340	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_340	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_340	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_340	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_340	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_340	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_340	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_340	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_340	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_340	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_340	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_340	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_340	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_340	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_340	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_340	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_340	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_340	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_340	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_340	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_340	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_340	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_340	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_340	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_340	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_340	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_340	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_340	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_340	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_340	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_340	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_340	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_340	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_340	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_340	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_340	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_340	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_340	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_340	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_340	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_340	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_340	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_340	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_340	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_340	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_340	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_340	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_340	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_340	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_340	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_340	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_340	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_340	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_340	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_340	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_340	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_340	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_340	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_340	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_340	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_340	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_340	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_340	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_340	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_340	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_340	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_340	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_340	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_340	Nc1cccc(C)n1	C1824813
PUBCHEM_340	CC1COc2ccccc2N1	C32329207
PUBCHEM_340	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_340	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_340	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_340	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_340	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_340	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_340	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_340	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_340	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_340	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_340	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_340	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_340	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_340	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_341	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_341	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_341	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_341	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_341	CC(CNCC(C)O)O	C110974
PUBCHEM_341	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_341	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_341	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_341	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_341	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_341	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_341	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_341	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_341	O=C1CCCCC1	C108941
PUBCHEM_341	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_341	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_341	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_341	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_341	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_341	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_341	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_341	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_341	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_341	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_341	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_341	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_341	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_341	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_341	OC(CO)CCl	C96242
PUBCHEM_341	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_341	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_341	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_341	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_341	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_341	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_341	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_341	COc1ccc(cc1)O	C150765
PUBCHEM_341	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_341	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_341	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_341	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_341	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_341	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_341	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_341	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_341	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_341	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_341	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_341	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_341	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_341	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_341	OC(C)CN	C78966
PUBCHEM_341	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_341	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_341	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_341	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_341	O=Cc1ccccc1O	C90028
PUBCHEM_341	Oc1cccc2ccccc12	C90153
PUBCHEM_341	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_341	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_341	Oc1ccc(Cl)cc1	C106489
PUBCHEM_341	CC(O)CC(C)(C)O	C107415
PUBCHEM_341	CCCC(=O)C	C107879
PUBCHEM_341	C1CCCCC1O	C108930
PUBCHEM_341	CCCCCC(=O)C	C110430
PUBCHEM_341	CCCCCCCCCC(=O)C	C112129
PUBCHEM_341	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_341	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_341	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_341	Oc1ccc(CC)cc1	C123079
PUBCHEM_341	COc1ccc(OC)cc1	C150787
PUBCHEM_341	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_341	O=C(OC(C)(C)C)C	C540885
PUBCHEM_341	Oc1ccc(CCC)cc1	C645567
PUBCHEM_341	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_341	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_341	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_341	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_341	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_341	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_341	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_341	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_341	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_341	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_341	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_341	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_341	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_341	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_341	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_341	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_341	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_341	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_341	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_341	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_341	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_341	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_341	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_341	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_341	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_341	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_341	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_341	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_341	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_341	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_341	c1(c(CC)cccc1)O	C90006
PUBCHEM_341	c1c(O)cccc1CC	C620177
PUBCHEM_341	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_341	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_341	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_341	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_341	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_341	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_341	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_341	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_341	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_341	c1cccc(OC)c1O	C90051
PUBCHEM_341	C(=O)(O)C(C)O	C50215
PUBCHEM_341	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_341	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_341	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_341	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_341	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_341	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_341	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_341	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_341	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_341	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_341	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_341	Cc1cc(O)ccc1	C108394
PUBCHEM_341	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_341	CC(O)COC	C107982
PUBCHEM_341	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_341	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_341	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_341	C(OCCCC)C1CO1	C2426086
PUBCHEM_341	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_341	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_341	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_341	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_341	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_341	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_341	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_341	Cc1c(C)cccc1O	C526750
PUBCHEM_341	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_341	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_341	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_341	OCC(C(O)CCC)CC	C94962
PUBCHEM_341	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_341	c1c(CO)occ1	C98000
PUBCHEM_341	C(C)(C)(O)C#N	C75865
PUBCHEM_341	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_341	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_341	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_341	O(C(C)C)C(=O)C	C108214
PUBCHEM_341	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_341	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_341	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_341	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_341	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_341	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_341	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_341	O=C(O)c1ccccc1O	C69727
PUBCHEM_341	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_341	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_341	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_341	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_341	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_341	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_341	O=C1OCC(C)O1	C108327
PUBCHEM_341	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_341	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_341	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_341	OC(CCCCCC)C	C123966
PUBCHEM_341	Oc1ccc2ccccc2c1	C135193
PUBCHEM_341	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_341	O=COC(C)C	C625558
PUBCHEM_341	OC(C)COc1ccccc1	C770354
PUBCHEM_341	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_341	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_341	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_341	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_341	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_341	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_341	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_341	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_341	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_341	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_341	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_341	CC(CO)O	C25322694
PUBCHEM_341	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_341	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_341	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_341	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_341	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_341	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_341	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_341	OCC1OCCC1	C97994
PUBCHEM_341	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_341	O=C1CCCC1	C120923
PUBCHEM_341	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_341	O=C(C=C(C)C)C	C141797
PUBCHEM_341	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_341	OC(C)COCCC	C1569013
PUBCHEM_341	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_341	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_341	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_341	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_341	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_341	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_341	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_341	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_341	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_341	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_341	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_341	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_341	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_341	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_341	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_341	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_341	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_341	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_341	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_341	OC1CCCC1	C96413
PUBCHEM_341	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_341	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_341	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_341	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_341	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_341	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_341	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_341	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_341	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_341	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_341	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_341	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_341	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_341	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_341	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_341	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_341	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_341	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_341	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_341	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_341	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_341	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_341	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_341	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_341	OC(CCCCC)C=C	C3391864
PUBCHEM_341	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_341	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_341	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_341	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_341	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_341	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_341	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_341	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_341	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_341	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_341	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_341	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_341	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_341	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_341	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_341	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_341	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_341	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_341	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_341	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_341	O=C(c1ccccc1O)C	C118934
PUBCHEM_341	O=C1OCC(CC)O1	C4437858
PUBCHEM_341	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_341	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_341	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_341	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_341	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_341	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_341	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_341	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_341	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_341	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_341	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_341	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_341	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_341	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_341	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_341	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_341	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_341	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_341	CC(O)COCC	C1569024
PUBCHEM_341	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_341	Oc1ccccc1CN(C)C	C120650
PUBCHEM_341	O=C1CCC(O1)CC	C695067
PUBCHEM_341	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_341	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_341	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_341	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_341	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_341	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_341	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_341	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_341	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_341	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_341	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_341	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_341	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_341	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_341	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_341	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_341	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_341	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_341	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_341	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_341	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_341	N#Cc1c(O)cccc1	C611201
PUBCHEM_341	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_341	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_341	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_341	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_341	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_341	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_341	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_341	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_341	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_341	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_341	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_341	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_341	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_341	O=C(CC)CCCCC	C106683
PUBCHEM_341	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_341	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_341	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_341	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_341	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_341	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_341	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_341	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_341	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_341	OC(C)C(=O)OCCCC	C138227
PUBCHEM_341	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_341	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_341	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_341	Oc1c(OCC)cccc1	C94713
PUBCHEM_341	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_341	COc1ccc(CCC)cc1	C104450
PUBCHEM_341	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_341	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_341	OC(CO)c1ccccc1	C93561
PUBCHEM_341	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_341	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_341	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_341	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_341	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_341	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_341	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_341	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_341	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_341	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_341	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_341	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_341	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_341	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_341	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_341	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_341	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_341	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_341	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_341	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_341	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_341	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_341	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_341	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_341	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_341	OCCOCC(C)OCCO	C9003116
PUBCHEM_341	O=C1OC(CCC)CC1	C105215
PUBCHEM_341	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_341	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_341	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_341	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_341	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_341	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_341	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_341	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_341	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_341	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_341	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_341	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_341	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_341	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_341	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_341	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_341	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_341	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_341	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_341	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_341	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_341	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_341	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_341	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_341	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_341	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_341	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_341	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_341	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_341	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_341	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_341	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_341	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_341	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_341	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_341	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_341	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_341	c1ccccc1OCCO	C122996
PUBCHEM_341	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_341	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_341	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_341	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_341	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_341	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_341	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_341	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_341	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_341	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_341	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_341	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_341	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_341	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_341	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_341	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_341	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_341	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_341	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_341	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_341	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_341	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_341	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_341	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_341	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_341	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_341	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_341	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_341	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_341	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_341	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_341	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_341	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_341	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_341	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_341	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_341	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_341	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_341	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_341	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_341	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_341	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_341	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_341	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_341	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_341	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_341	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_341	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_341	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_341	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_341	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_341	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_341	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_341	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_341	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_341	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_341	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_341	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_341	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_341	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_341	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_341	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_341	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_341	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_341	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_341	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_341	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_341	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_341	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_341	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_341	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_341	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_341	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_341	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_341	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_341	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_341	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_341	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_341	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_341	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_341	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_341	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_341	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_341	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_341	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_341	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_341	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_341	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_341	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_341	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_341	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_341	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_341	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_341	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_341	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_341	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_341	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_341	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_341	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_341	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_341	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_341	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_341	c1coc2c1cccc2	C271896
PUBCHEM_341	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_341	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_341	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_341	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_341	Oc1c(cccc1)O	C120809
PUBCHEM_341	O=C(c1ccccc1)CCl	C532274
PUBCHEM_341	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_341	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_341	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_341	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_341	Nc1cc(ccc1OC)C	C120718
PUBCHEM_341	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_341	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_341	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_341	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_341	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_341	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_341	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_341	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_341	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_341	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_341	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_341	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_341	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_341	O=Cc1ccco1	C98011
PUBCHEM_341	OCC(O)CO	C56815
PUBCHEM_341	OCC1CO1	C556525
PUBCHEM_341	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_341	Oc1ccc(cc1)O	C123319
PUBCHEM_341	Oc1cccc2cccnc12	C148243
PUBCHEM_341	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_341	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_341	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_341	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_341	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_341	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_341	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_341	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_341	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_341	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_341	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_341	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_341	Oc1ccccc1	C108952
PUBCHEM_341	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_341	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_341	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_341	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_341	CC(CO)O	C57556
PUBCHEM_341	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_341	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_341	Oc1cc(ccc1)O	C108463
PUBCHEM_341	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_341	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_341	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_341	C1C(c2ccccc2)O1	C96093
PUBCHEM_341	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_341	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_341	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_341	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_341	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_341	Oc1ccccc1Cl	C95578
PUBCHEM_341	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_341	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_341	Oc1c(C)cccc1	C95487
PUBCHEM_341	c1ccccc1C(=O)C	C98862
PUBCHEM_341	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_341	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_341	Oc1ccc(C)cc1	C106445
PUBCHEM_341	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_341	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_341	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_341	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_341	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_341	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_341	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_341	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_341	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_341	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_341	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_341	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_341	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_341	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_341	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_341	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_341	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_341	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_341	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_341	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_341	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_341	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_341	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_341	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_341	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_341	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_341	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_341	Nc1c(OC)cccc1	C90040
PUBCHEM_341	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_341	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_341	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_341	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_341	Oc1c(cccc1C)C	C576261
PUBCHEM_341	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_341	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_341	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_341	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_341	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_341	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_341	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_341	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_341	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_341	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_341	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_341	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_341	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_341	OC(CCl)CCl	C96231
PUBCHEM_341	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_341	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_341	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_341	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_341	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_341	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_341	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_341	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_341	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_341	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_341	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_341	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_341	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_341	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_341	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_341	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_341	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_341	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_341	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_341	OCCC(O)C	C107880
PUBCHEM_341	OC(CC(C)C)C	C108112
PUBCHEM_341	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_341	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_341	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_341	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_341	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_341	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_341	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_341	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_341	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_341	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_341	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_341	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_341	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_341	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_341	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_341	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_341	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_341	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_341	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_341	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_341	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_341	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_341	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_341	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_341	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_341	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_341	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_341	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_341	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_341	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_341	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_341	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_341	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_341	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_341	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_341	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_341	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_341	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_341	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_341	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_341	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_341	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_341	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_341	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_341	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_341	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_341	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_341	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_341	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_341	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_341	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_341	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_341	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_341	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_341	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_341	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_341	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_341	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_341	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_341	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_341	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_341	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_341	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_341	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_341	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_341	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_341	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_341	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_341	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_341	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_341	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_341	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_341	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_341	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_341	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_341	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_341	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_341	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_341	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_341	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_341	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_341	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_341	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_341	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_341	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_341	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_341	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_341	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_341	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_341	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_341	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_341	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_341	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_341	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_341	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_341	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_341	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_341	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_341	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_341	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_341	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_341	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_341	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_341	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_341	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_341	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_341	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_341	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_341	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_341	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_341	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_341	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_341	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_341	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_341	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_341	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_341	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_341	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_341	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_341	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_341	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_341	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_341	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_341	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_341	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_341	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_341	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_341	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_341	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_341	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_341	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_341	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_341	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_341	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_341	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_341	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_341	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_341	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_341	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_341	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_341	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_341	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_341	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_341	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_341	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_341	OCCC(OC)C	C2517433
PUBCHEM_341	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_341	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_341	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_341	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_341	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_341	CC(=O)CCC(C)C	C110123
PUBCHEM_341	CC(=O)CC(C)C	C108101
PUBCHEM_341	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_341	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_341	CCC1CO1	C106887
PUBCHEM_341	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_341	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_341	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_341	CC1CC(=O)O1	C3068880
PUBCHEM_341	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_341	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_341	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_341	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_341	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_341	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_341	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_341	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_341	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_341	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_341	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_341	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_341	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_341	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_341	O=C(CCl)CCl	C534076
PUBCHEM_341	CC(=O)C(=O)O	C127173
PUBCHEM_341	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_341	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_341	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_341	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_341	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_341	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_341	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_341	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_341	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_341	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_341	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_341	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_341	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_341	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_341	Nc1ccc(OC)cc1	C104949
PUBCHEM_341	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_341	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_341	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_341	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_341	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_341	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_341	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_341	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_341	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_341	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_341	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_341	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_341	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_341	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_341	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_341	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_341	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_341	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_341	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_341	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_341	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_341	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_341	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_341	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_341	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_341	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_341	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_341	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_341	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_341	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_341	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_341	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_341	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_341	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_341	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_341	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_341	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_341	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_341	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_341	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_341	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_341	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_341	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_341	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_341	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_341	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_341	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_341	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_341	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_341	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_341	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_341	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_341	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_341	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_341	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_341	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_341	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_341	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_341	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_341	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_341	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_341	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_341	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_341	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_341	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_341	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_341	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_341	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_341	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_341	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_341	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_341	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_341	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_341	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_341	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_341	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_341	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_341	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_341	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_341	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_341	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_341	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_341	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_341	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_341	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_341	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_341	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_341	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_341	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_341	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_341	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_341	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_341	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_341	CC1COc2ccccc2N1	C32329207
PUBCHEM_341	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_341	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_341	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_341	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_341	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_341	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_341	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_341	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_341	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_341	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_341	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_341	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_341	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_341	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_341	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_341	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_341	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_341	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_341	CCCCCc1ccco1	C3777693
PUBCHEM_341	CCC(=O)C(=O)CC	C4437518
PUBCHEM_341	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_342	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_342	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_342	O=CCCl	C107200
PUBCHEM_342	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_342	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_342	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_342	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_342	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_342	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_342	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_342	OC(CO)CCl	C96242
PUBCHEM_342	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_342	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_342	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_342	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_342	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_342	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_342	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_342	ClCC(Cl)CCl	C96184
PUBCHEM_342	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_342	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_342	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_342	Oc1ccc(Cl)cc1	C106489
PUBCHEM_342	C=CC(Cl)CCl	C760236
PUBCHEM_342	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_342	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_342	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_342	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_342	Cl/C=C/Cl	C156605
PUBCHEM_342	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_342	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_342	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_342	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_342	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_342	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_342	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_342	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_342	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_342	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_342	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_342	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_342	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_342	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_342	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_342	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_342	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_342	Clc1cccc(C)c1	C25168052
PUBCHEM_342	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_342	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_342	ClC(Cl)(C)C	C594207
PUBCHEM_342	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_342	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_342	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_342	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_342	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_342	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_342	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_342	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_342	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_342	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_342	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_342	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_342	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_342	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_342	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_342	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_342	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_342	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_342	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_342	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_342	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_342	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_342	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_342	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_342	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_342	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_342	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_342	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_342	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_342	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_342	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_342	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_342	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_342	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_342	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_342	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_342	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_342	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_342	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_342	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_342	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_342	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_342	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_342	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_342	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_342	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_342	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_342	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_342	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_342	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_342	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_342	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_342	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_342	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_342	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_342	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_342	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_342	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_342	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_342	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_342	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_342	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_342	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_342	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_342	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_342	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_342	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_342	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_342	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_342	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_342	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_342	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_342	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_342	ClCCP(=O)(O)O	C16672870
PUBCHEM_342	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_342	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_342	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_342	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_342	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_342	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_342	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_342	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_342	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_342	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_342	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_342	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_342	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_342	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_342	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_342	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_342	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_342	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_342	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_342	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_342	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_342	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_342	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_342	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_342	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_342	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_342	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_342	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_342	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_342	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_342	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_342	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_342	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_342	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_342	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_342	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_342	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_342	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_342	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_342	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_342	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_342	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_342	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_342	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_342	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_342	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_342	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_342	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_342	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_342	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_342	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_342	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_342	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_342	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_342	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_342	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_342	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_342	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_342	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_342	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_342	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_342	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_342	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_342	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_342	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_342	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_342	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_342	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_342	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_342	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_342	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_342	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_342	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_342	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_342	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_342	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_342	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_342	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_342	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_342	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_342	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_342	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_342	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_342	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_342	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_342	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_342	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_342	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_342	ClCCOCCCl	C111444
PUBCHEM_342	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_342	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_342	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_342	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_342	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_342	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_342	O=C(c1ccccc1)CCl	C532274
PUBCHEM_342	Nc1ccc(cc1)Cl	C106478
PUBCHEM_342	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_342	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_342	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_342	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_342	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_342	OC(=O)C(Cl)Cl	C79436
PUBCHEM_342	Clc1c(cccc1)Cl	C95501
PUBCHEM_342	Clc1ccc(cc1)Cl	C106467
PUBCHEM_342	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_342	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_342	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_342	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_342	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_342	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_342	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_342	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_342	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_342	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_342	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_342	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_342	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_342	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_342	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_342	Oc1ccccc1Cl	C95578
PUBCHEM_342	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_342	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_342	ClCCO	C107073
PUBCHEM_342	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_342	Clc1cc(Cl)ccc1	C541731
PUBCHEM_342	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_342	Cc1ccccc1Cl	C95498
PUBCHEM_342	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_342	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_342	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_342	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_342	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_342	Cc1ccc(Cl)cc1	C106434
PUBCHEM_342	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_342	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_342	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_342	OC(CCl)CCl	C96231
PUBCHEM_342	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_342	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_342	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_342	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_342	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_342	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_342	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_342	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_342	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_342	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_342	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_342	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_342	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_342	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_342	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_342	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_342	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_342	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_342	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_342	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_342	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_342	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_342	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_342	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_342	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_342	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_342	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_342	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_342	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_342	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_342	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_342	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_342	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_342	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_342	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_342	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_342	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_342	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_342	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_342	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_342	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_342	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_342	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_342	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_342	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_342	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_342	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_342	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_342	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_342	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_342	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_342	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_342	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_342	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_342	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_342	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_342	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_342	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_342	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_342	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_342	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_342	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_342	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_342	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_342	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_342	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_342	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_342	O=C(CCl)CCl	C534076
PUBCHEM_342	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_342	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_342	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_342	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_342	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_342	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_342	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_342	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_342	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_342	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_342	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_342	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_342	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_342	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_342	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_342	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_342	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_342	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_342	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_342	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_342	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_342	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_342	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_342	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_342	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_342	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_342	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_342	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_342	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_342	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_342	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_342	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_342	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_342	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_342	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_342	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_342	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_342	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_342	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_342	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_342	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_342	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_342	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_342	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_342	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_342	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_343	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_343	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_343	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_344	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_344	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_344	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_344	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_344	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_344	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_344	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_344	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_344	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_344	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_344	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_344	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_344	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_344	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_344	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_344	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_344	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_344	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_344	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_344	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_344	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_344	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_344	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_344	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_344	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_344	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_344	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_344	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_344	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_344	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_344	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_344	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_344	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_344	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_344	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_344	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_344	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_344	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_344	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_344	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_344	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_344	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_344	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_344	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_344	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_344	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_344	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_344	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_344	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_344	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_344	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_344	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_344	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_344	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_344	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_344	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_344	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_344	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_344	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_344	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_344	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_344	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_344	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_344	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_344	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_344	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_344	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_344	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_344	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_344	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_344	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_344	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_344	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_344	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_344	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_344	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_344	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_344	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_344	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_344	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_344	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_344	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_344	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_344	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_344	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_344	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_344	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_344	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_344	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_344	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_344	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_344	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_344	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_344	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_344	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_344	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_344	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_344	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_344	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_344	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_344	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_344	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_344	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_344	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_344	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_344	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_344	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_344	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_344	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_344	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_344	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_344	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_344	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_344	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_344	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_344	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_344	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_344	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_344	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_344	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_344	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_344	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_344	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_344	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_344	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_344	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_344	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_344	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_344	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_344	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_344	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_344	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_344	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_344	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_344	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_344	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_344	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_344	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_344	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_344	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_344	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_344	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_344	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_344	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_344	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_344	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_344	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_344	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_344	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_344	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_344	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_344	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_344	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_344	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_344	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_344	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_344	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_344	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_344	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_344	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_344	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_344	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_344	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_344	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_344	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_344	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_344	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_344	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_344	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_344	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_344	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_344	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_344	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_344	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_344	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_344	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_344	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_344	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_344	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_344	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_344	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_344	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_344	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_344	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_344	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_344	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_344	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_344	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_344	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_344	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_344	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_344	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_344	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_344	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_344	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_344	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_344	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_344	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_344	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_344	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_344	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_344	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_344	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_344	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_344	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_344	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_344	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_344	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_344	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_344	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_344	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_344	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_344	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_344	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_344	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_344	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_344	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_344	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_344	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_345	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_345	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_345	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_345	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_345	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_345	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_345	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_345	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_345	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_345	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_345	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_345	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_345	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_345	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_345	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_345	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_345	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_345	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_345	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_345	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_345	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_345	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_345	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_345	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_345	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_345	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_345	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_345	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_345	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_345	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_345	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_345	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_345	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_345	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_345	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_345	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_345	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_345	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_345	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_345	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_345	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_345	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_345	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_345	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_345	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_345	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_345	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_345	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_345	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_345	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_345	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_345	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_345	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_345	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_345	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_345	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_345	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_345	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_345	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_345	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_345	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_345	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_345	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_345	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_345	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_345	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_345	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_345	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_345	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_345	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_345	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_345	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_345	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_345	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_345	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_346	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_346	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_346	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_346	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_346	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_346	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_346	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_346	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_346	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_346	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_346	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_346	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_346	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_346	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_346	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_346	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_346	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_346	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_346	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_346	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_346	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_346	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_346	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_346	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_346	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_346	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_346	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_346	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_346	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_346	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_346	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_346	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_346	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_346	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_346	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_346	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_346	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_346	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_346	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_346	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_346	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_346	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_346	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_346	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_346	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_346	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_346	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_346	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_346	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_346	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_346	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_346	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_346	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_346	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_346	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_346	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_346	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_346	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_346	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_346	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_346	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_346	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_346	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_346	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_346	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_346	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_346	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_346	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_346	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_346	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_346	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_346	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_346	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_346	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_346	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_346	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_346	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_346	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_346	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_346	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_346	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_346	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_346	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_346	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_346	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_346	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_346	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_346	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_346	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_346	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_346	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_346	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_346	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_346	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_346	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_346	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_346	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_346	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_346	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_346	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_346	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_346	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_346	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_346	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_346	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_346	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_346	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_346	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_346	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_346	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_346	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_347	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_347	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_347	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_347	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_347	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_347	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_347	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_347	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_347	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_347	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_347	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_347	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_347	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_347	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_349	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_349	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_349	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_349	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_349	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_350	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_350	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_350	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_350	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_350	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_350	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_350	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_350	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_350	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_350	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_350	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_350	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_350	IC(=C(I)I)I	C513928
PUBCHEM_350	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_351	CC(=O)N	C60355
PUBCHEM_351	C=CC#N	C107131
PUBCHEM_351	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_351	C=CCN=C=S	C57067
PUBCHEM_351	Nc1ccccc1.Cl	C142041
PUBCHEM_351	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_351	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_351	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_351	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_351	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_351	CC(CNCC(C)O)O	C110974
PUBCHEM_351	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_351	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_351	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_351	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_351	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_351	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_351	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_351	S=C(NCC)NCC	C105555
PUBCHEM_351	CN(C)C(=O)C	C127195
PUBCHEM_351	CN(CCO)C	C108010
PUBCHEM_351	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_351	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_351	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_351	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_351	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_351	c1cccc2[nH]ccc12	C120729
PUBCHEM_351	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_351	NC(=O)c1cccnc1	C98920
PUBCHEM_351	OC(=O)c1cccnc1	C59676
PUBCHEM_351	O=[N+](CC)[O-]	C79243
PUBCHEM_351	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_351	O=NN1CCCC1	C930552
PUBCHEM_351	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_351	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_351	Nc1ccc(cc1)N	C106503
PUBCHEM_351	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_351	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_351	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_351	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_351	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_351	Nc1ccccc1C.Cl	C636215
PUBCHEM_351	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_351	OC(C)CN	C78966
PUBCHEM_351	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_351	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_351	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_351	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_351	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_351	ON=C1CCCCC1	C100641
PUBCHEM_351	OCCN1CCNCC1	C103764
PUBCHEM_351	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_351	N#CCC#N	C109773
PUBCHEM_351	CCNCCO	C110736
PUBCHEM_351	CCCCCCCCCCCCN	C124221
PUBCHEM_351	NCCN1CCNCC1	C140318
PUBCHEM_351	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_351	CCCCCCCCCCN	C2016571
PUBCHEM_351	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_351	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_351	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_351	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_351	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_351	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_351	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_351	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_351	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_351	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_351	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_351	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_351	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_351	NC(CO)(CO)CO	C77861
PUBCHEM_351	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_351	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_351	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_351	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_351	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_351	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_351	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_351	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_351	CC(=C)C#N	C126987
PUBCHEM_351	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_351	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_351	c1ccc2ncsc2c1	C95169
PUBCHEM_351	ON=CCCC	C110690
PUBCHEM_351	C(C)(C)(C)N	C75649
PUBCHEM_351	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_351	C(CCN)CCCN	C124094
PUBCHEM_351	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_351	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_351	N(CCN)CCN	C111400
PUBCHEM_351	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_351	N(CCCN)(C)C	C109557
PUBCHEM_351	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_351	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_351	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_351	C(C)(C)(O)C#N	C75865
PUBCHEM_351	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_351	N#CC(CCC#N)C	C4553622
PUBCHEM_351	C1COCCN1	C110918
PUBCHEM_351	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_351	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_351	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_351	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_351	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_351	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_351	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_351	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_351	N#CC(C)C	C78820
PUBCHEM_351	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_351	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_351	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_351	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_351	N1CCCCCC1	C111499
PUBCHEM_351	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_351	OCC(N)(C)C	C124685
PUBCHEM_351	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_351	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_351	O=C1NCCC1	C616455
PUBCHEM_351	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_351	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_351	Nc1cccc(C)c1C	C1300738
PUBCHEM_351	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_351	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_351	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_351	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_351	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_351	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_351	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_351	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_351	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_351	Nc1c(C)cccc1CC	C24549062
PUBCHEM_351	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_351	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_351	CN1CCOCC1	C109024
PUBCHEM_351	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_351	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_351	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_351	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_351	n1c[nH]cc1	C288324
PUBCHEM_351	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_351	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_351	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_351	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_351	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_351	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_351	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_351	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_351	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_351	OCn1nc(C)cc1C	C85264331
PUBCHEM_351	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_351	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_351	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_351	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_351	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_351	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_351	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_351	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_351	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_351	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_351	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_351	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_351	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_351	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_351	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_351	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_351	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_351	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_351	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_351	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_351	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_351	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_351	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_351	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_351	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_351	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_351	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_351	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_351	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_351	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_351	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_351	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_351	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_351	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_351	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_351	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_351	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_351	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_351	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_351	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_351	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_351	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_351	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_351	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_351	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_351	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_351	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_351	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_351	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_351	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_351	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_351	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_351	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_351	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_351	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_351	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_351	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_351	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_351	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_351	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_351	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_351	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_351	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_351	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_351	Oc1ccccc1CN(C)C	C120650
PUBCHEM_351	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_351	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_351	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_351	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_351	NCCCN1CCOCC1	C123002
PUBCHEM_351	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_351	N#Cc1c(O)cccc1	C611201
PUBCHEM_351	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_351	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_351	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_351	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_351	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_351	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_351	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_351	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_351	OCCN(CC)CCO	C139877
PUBCHEM_351	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_351	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_351	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_351	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_351	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_351	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_351	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_351	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_351	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_351	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_351	O=C(N)Nc1ccccc1	C64108
PUBCHEM_351	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_351	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_351	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_351	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_351	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_351	NCCN.I.I	C5700492
PUBCHEM_351	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_351	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_351	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_351	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_351	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_351	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_351	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_351	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_351	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_351	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_351	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_351	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_351	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_351	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_351	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_351	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_351	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_351	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_351	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_351	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_351	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_351	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_351	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_351	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_351	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_351	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_351	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_351	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_351	S=C1NCCN1	C96457
PUBCHEM_351	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_351	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_351	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_351	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_351	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_351	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_351	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_351	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_351	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_351	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_351	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_351	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_351	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_351	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_351	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_351	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_351	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_351	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_351	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_351	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_351	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_351	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_351	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_351	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_351	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_351	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_351	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_351	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_351	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_351	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_351	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_351	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_351	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_351	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_351	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_351	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_351	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_351	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_351	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_351	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_351	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_351	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_351	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_351	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_351	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_351	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_351	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_351	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_351	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_351	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_351	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_351	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_351	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_351	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_351	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_351	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_351	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_351	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_351	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_351	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_351	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_351	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_351	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_351	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_351	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_351	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_351	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_351	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_351	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_351	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_351	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_351	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_351	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_351	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_351	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_351	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_351	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_351	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_351	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_351	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_351	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_351	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_351	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_351	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_351	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_351	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_351	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_351	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_351	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_351	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_351	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_351	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_351	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_351	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_351	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_351	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_351	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_351	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_351	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_351	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_351	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_351	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_351	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_351	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_351	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_351	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_351	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_351	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_351	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_351	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_351	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_351	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_351	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_351	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_351	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_351	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_351	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_351	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_351	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_351	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_351	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_351	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_351	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_351	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_351	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_351	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_351	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_351	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_351	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_351	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_351	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_351	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_351	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_351	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_351	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_351	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_351	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_351	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_351	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_351	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_351	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_351	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_351	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_351	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_351	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_351	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_351	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_351	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_351	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_351	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_351	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_351	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_351	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_351	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_351	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_351	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_351	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_351	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_351	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_351	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_351	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_351	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_351	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_351	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_351	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_351	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_351	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_351	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_351	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_351	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_351	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_351	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_351	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_351	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_351	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_351	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_351	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_351	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_351	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_351	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_351	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_351	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_351	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_351	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_351	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_351	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_351	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_351	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_351	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_351	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_351	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_351	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_351	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_351	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_351	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_351	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_351	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_351	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_351	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_351	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_351	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_351	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_351	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_351	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_351	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_351	NC(=O)C=C	C79061
PUBCHEM_351	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_351	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_351	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_351	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_351	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_351	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_351	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_351	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_351	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_351	O=C1CCCCCN1	C105602
PUBCHEM_351	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_351	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_351	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_351	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_351	Nc1ccc(cc1)Cl	C106478
PUBCHEM_351	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_351	Nc1cc(ccc1OC)C	C120718
PUBCHEM_351	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_351	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_351	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_351	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_351	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_351	CN(c1ccccc1)C	C121697
PUBCHEM_351	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_351	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_351	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_351	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_351	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_351	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_351	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_351	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_351	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_351	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_351	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_351	Oc1cccc2cccnc12	C148243
PUBCHEM_351	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_351	O=C(c1ccncc1)NN	C54853
PUBCHEM_351	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_351	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_351	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_351	O=C1N(CCC1)C	C872504
PUBCHEM_351	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_351	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_351	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_351	Cc1cc2cccnc2cc1	C91623
PUBCHEM_351	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_351	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_351	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_351	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_351	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_351	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_351	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_351	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_351	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_351	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_351	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_351	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_351	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_351	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_351	O=NN(CCCC)CCCC	C924163
PUBCHEM_351	CCN(CC)N=O	C55185
PUBCHEM_351	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_351	O=NN(CCC)CCC	C621647
PUBCHEM_351	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_351	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_351	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_351	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_351	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_351	Nc1cc(ccc1)N	C108452
PUBCHEM_351	C1CNCCN1	C110850
PUBCHEM_351	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_351	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_351	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_351	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_351	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_351	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_351	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_351	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_351	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_351	OCCN(CCO)CCO	C102716
PUBCHEM_351	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_351	O=C1N(C=C)CCC1	C88120
PUBCHEM_351	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_351	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_351	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_351	n1cccc2c1cccc2	C91225
PUBCHEM_351	CCN(CC)c1ccccc1	C91667
PUBCHEM_351	CCC(=NO)C	C96297
PUBCHEM_351	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_351	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_351	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_351	CCN(CCO)CC	C100378
PUBCHEM_351	CCNc1cc(C)ccc1	C102272
PUBCHEM_351	Nc1ccc(C)cc1	C106490
PUBCHEM_351	OCCNCCO	C111422
PUBCHEM_351	N#CCCCCC#N	C111693
PUBCHEM_351	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_351	OCCN	C141435
PUBCHEM_351	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_351	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_351	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_351	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_351	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_351	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_351	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_351	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_351	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_351	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_351	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_351	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_351	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_351	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_351	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_351	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_351	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_351	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_351	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_351	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_351	Nc1c(OC)cccc1	C90040
PUBCHEM_351	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_351	NC1CCCCC1	C108918
PUBCHEM_351	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_351	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_351	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_351	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_351	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_351	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_351	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_351	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_351	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_351	ON=CC(C)(C)SC	C1646759
PUBCHEM_351	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_351	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_351	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_351	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_351	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_351	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_351	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_351	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_351	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_351	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_351	Nc1cc(C)ccc1N	C496720
PUBCHEM_351	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_351	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_351	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_351	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_351	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_351	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_351	N(c1ccccc1)CC	C103695
PUBCHEM_351	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_351	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_351	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_351	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_351	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_351	Nc1c(N)cccc1	C95545
PUBCHEM_351	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_351	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_351	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_351	Nc1c(cccc1)C	C95534
PUBCHEM_351	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_351	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_351	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_351	Nc1c(cccc1C)C	C87627
PUBCHEM_351	N#Cc1cnccc1	C100549
PUBCHEM_351	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_351	Nc1cccc(C)c1	C108441
PUBCHEM_351	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_351	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_351	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_351	Nc1c(CC)cccc1CC	C579668
PUBCHEM_351	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_351	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_351	Nc1cccc(C)c1N	C2687254
PUBCHEM_351	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_351	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_351	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_351	CCC12N(COC1)COC2	C7747355
PUBCHEM_351	O=C(N)C(=C)C	C79390
PUBCHEM_351	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_351	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_351	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_351	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_351	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_351	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_351	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_351	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_351	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_351	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_351	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_351	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_351	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_351	CCCCCCCCN(C)C	C7378996
PUBCHEM_351	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_351	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_351	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_351	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_351	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_351	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_351	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_351	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_351	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_351	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_351	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_351	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_351	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_351	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_351	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_351	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_351	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_351	O=C(C)NC	C79163
PUBCHEM_351	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_351	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_351	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_351	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_351	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_351	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_351	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_351	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_351	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_351	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_351	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_351	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_351	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_351	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_351	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_351	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_351	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_351	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_351	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_351	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_351	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_351	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_351	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_351	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_351	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_351	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_351	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_351	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_351	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_351	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_351	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_351	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_351	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_351	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_351	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_351	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_351	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_351	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_351	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_351	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_351	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_351	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_351	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_351	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_351	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_351	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_351	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_351	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_351	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_351	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_351	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_351	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_351	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_351	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_351	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_351	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_351	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_351	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_351	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_351	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_351	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_351	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_351	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_351	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_351	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_351	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_351	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_351	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_351	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_351	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_351	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_351	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_351	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_351	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_351	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_351	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_351	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_351	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_351	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_351	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_351	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_351	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_351	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_351	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_351	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_351	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_351	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_351	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_351	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_351	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_351	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_351	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_351	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_351	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_351	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_351	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_351	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_351	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_351	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_351	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_351	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_351	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_351	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_351	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_351	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_351	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_351	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_351	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_351	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_351	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_351	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_351	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_351	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_351	N#CC(Br)Br	C3252435
PUBCHEM_351	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_351	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_351	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_351	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_351	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_351	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_351	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_351	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_351	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_351	NCCOCCOCCN	C929599
PUBCHEM_351	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_351	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_351	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_351	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_351	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_351	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_351	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_351	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_351	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_351	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_351	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_351	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_351	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_351	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_351	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_351	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_351	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_351	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_351	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_351	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_351	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_351	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_351	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_351	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_351	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_351	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_351	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_351	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_351	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_351	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_351	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_351	S=C(NCCCC)NCCCC	C109466
PUBCHEM_351	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_351	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_351	NCc1cccc(CN)c1	C1477550
PUBCHEM_351	N(CCN(C)C)(C)C	C110189
PUBCHEM_351	CCN(CC)CC	C121448
PUBCHEM_351	n1cc(C)ccc1	C108996
PUBCHEM_351	NCCN	C107153
PUBCHEM_351	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_351	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_351	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_351	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_351	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_351	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_351	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_351	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_351	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_351	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_351	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_351	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_351	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_351	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_351	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_351	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_351	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_351	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_351	NNc1ccccc1.Cl	C59881
PUBCHEM_351	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_351	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_351	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_351	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_351	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_351	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_351	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_351	N#Cc1ccccc1	C100470
PUBCHEM_351	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_351	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_351	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_351	Nc1ccc(Br)cc1	C106401
PUBCHEM_351	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_351	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_351	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_351	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_351	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_351	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_351	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_351	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_351	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_351	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_351	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_351	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_351	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_351	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_351	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_351	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_351	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_351	Nc1ccc(OC)cc1	C104949
PUBCHEM_351	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_351	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_351	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_351	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_351	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_351	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_351	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_351	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_351	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_351	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_351	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_351	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_351	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_351	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_351	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_351	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_351	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_351	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_351	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_351	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_351	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_351	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_351	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_351	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_351	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_351	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_351	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_351	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_351	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_351	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_351	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_351	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_351	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_351	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_351	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_351	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_351	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_351	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_351	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_351	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_351	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_351	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_351	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_351	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_351	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_351	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_351	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_351	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_351	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_351	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_351	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_351	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_351	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_351	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_351	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_351	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_351	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_351	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_351	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_351	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_351	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_351	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_351	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_351	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_351	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_351	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_351	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_351	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_351	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_351	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_351	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_351	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_351	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_351	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_351	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_351	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_351	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_351	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_351	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_351	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_351	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_351	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_351	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_351	O=CN1CCCCC1	C2591868
PUBCHEM_351	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_351	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_351	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_351	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_351	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_351	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_351	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_351	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_351	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_351	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_351	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_351	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_351	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_351	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_351	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_351	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_351	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_351	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_351	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_351	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_351	NCCCOCCCCCCCC	C15930662
PUBCHEM_351	Nc1cccc(C)n1	C1824813
PUBCHEM_351	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_351	CC1COc2ccccc2N1	C32329207
PUBCHEM_351	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_351	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_351	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_351	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_351	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_351	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_351	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_351	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_351	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_351	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_351	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_351	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_351	S=C=NCCCSC	C505793
PUBCHEM_351	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_351	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_351	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_351	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_351	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_351	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_351	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_351	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_351	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_352	CC(=O)N	C60355
PUBCHEM_352	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_352	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_352	C=CCO	C107186
PUBCHEM_352	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_352	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_352	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_352	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_352	CC(=O)OCc1ccccc1	C140114
PUBCHEM_352	CC(CNCC(C)O)O	C110974
PUBCHEM_352	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_352	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_352	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_352	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_352	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_352	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_352	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_352	O=CCCl	C107200
PUBCHEM_352	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_352	O=C1CCCCC1	C108941
PUBCHEM_352	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_352	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_352	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_352	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_352	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_352	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_352	CN(C)C(=O)C	C127195
PUBCHEM_352	CN(CCO)C	C108010
PUBCHEM_352	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_352	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_352	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_352	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_352	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_352	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_352	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_352	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_352	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_352	OC(CO)CCl	C96242
PUBCHEM_352	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_352	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_352	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_352	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_352	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_352	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_352	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_352	COc1ccc(cc1)O	C150765
PUBCHEM_352	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_352	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_352	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_352	NC(=O)c1cccnc1	C98920
PUBCHEM_352	OC(=O)c1cccnc1	C59676
PUBCHEM_352	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_352	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_352	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_352	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_352	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_352	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_352	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_352	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_352	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_352	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_352	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_352	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_352	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_352	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_352	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_352	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_352	O=CCc1ccccc1	C122781
PUBCHEM_352	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_352	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_352	OCCOCCOCCOCCCC	C143226
PUBCHEM_352	CCCCCCCCCC=O	C112312
PUBCHEM_352	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_352	O=CCCCCCC	C111717
PUBCHEM_352	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_352	CCCCCCCCC=O	C124196
PUBCHEM_352	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_352	OC(=O)CCCC	C109524
PUBCHEM_352	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_352	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_352	OCCC	C71238
PUBCHEM_352	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_352	OC(C)CN	C78966
PUBCHEM_352	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_352	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_352	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_352	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_352	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_352	O=Cc1ccccc1O	C90028
PUBCHEM_352	Oc1cccc2ccccc12	C90153
PUBCHEM_352	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_352	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_352	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_352	OCCN1CCNCC1	C103764
PUBCHEM_352	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_352	Oc1ccc(Cl)cc1	C106489
PUBCHEM_352	CC(O)CC(C)(C)O	C107415
PUBCHEM_352	CCCC(=O)C	C107879
PUBCHEM_352	C1CCCCC1O	C108930
PUBCHEM_352	CCCCCC(=O)C	C110430
PUBCHEM_352	C(O)C#CCO	C110656
PUBCHEM_352	CCNCCO	C110736
PUBCHEM_352	CCCCCCO	C111273
PUBCHEM_352	CCCCCCCO	C111706
PUBCHEM_352	CCCCCCCCCC(=O)C	C112129
PUBCHEM_352	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_352	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_352	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_352	Oc1ccc(CC)cc1	C123079
PUBCHEM_352	CCCCCC(=O)OCC	C123660
PUBCHEM_352	CCCCCCCCCO	C143088
PUBCHEM_352	COc1ccc(OC)cc1	C150787
PUBCHEM_352	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_352	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_352	O=C(OC(C)(C)C)C	C540885
PUBCHEM_352	Oc1ccc(CCC)cc1	C645567
PUBCHEM_352	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_352	C=CC(=O)OCCO	C818611
PUBCHEM_352	CC/C=C\CCO	C928961
PUBCHEM_352	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_352	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_352	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_352	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_352	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_352	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_352	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_352	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_352	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_352	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_352	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_352	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_352	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_352	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_352	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_352	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_352	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_352	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_352	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_352	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_352	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_352	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_352	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_352	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_352	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_352	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_352	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_352	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_352	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_352	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_352	c1(c(CC)cccc1)O	C90006
PUBCHEM_352	c1c(O)cccc1CC	C620177
PUBCHEM_352	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_352	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_352	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_352	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_352	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_352	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_352	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_352	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_352	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_352	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_352	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_352	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_352	c1cccc(OC)c1O	C90051
PUBCHEM_352	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_352	C(=O)(O)C(C)O	C50215
PUBCHEM_352	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_352	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_352	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_352	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_352	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_352	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_352	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_352	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_352	NC(CO)(CO)CO	C77861
PUBCHEM_352	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_352	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_352	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_352	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_352	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_352	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_352	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_352	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_352	Cc1cc(O)ccc1	C108394
PUBCHEM_352	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_352	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_352	CC(O)COC	C107982
PUBCHEM_352	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_352	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_352	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_352	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_352	OCCCCO	C110634
PUBCHEM_352	O=C(OCCCC)C=C	C141322
PUBCHEM_352	C(OCCCC)C1CO1	C2426086
PUBCHEM_352	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_352	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_352	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_352	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_352	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_352	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_352	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_352	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_352	Cc1c(C)cccc1O	C526750
PUBCHEM_352	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_352	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_352	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_352	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_352	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_352	C(CC)(C=O)CCCC	C123057
PUBCHEM_352	OCC(C(O)CCC)CC	C94962
PUBCHEM_352	CCC(=CCCC)C=O	C645625
PUBCHEM_352	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_352	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_352	c1c(CO)occ1	C98000
PUBCHEM_352	O=CCCCC=O	C111308
PUBCHEM_352	C(=O)(O)CO	C79141
PUBCHEM_352	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_352	C(C)(C)(O)C#N	C75865
PUBCHEM_352	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_352	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_352	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_352	O(C(C)C)C(=O)C	C108214
PUBCHEM_352	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_352	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_352	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_352	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_352	C1COCCN1	C110918
PUBCHEM_352	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_352	C(=O)(O)C(=O)O	C144627
PUBCHEM_352	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_352	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_352	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_352	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_352	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_352	O=C(O)CS	C68111
PUBCHEM_352	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_352	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_352	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_352	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_352	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_352	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_352	OCCc1ccccc1	C60128
PUBCHEM_352	O=C(O)c1ccccc1O	C69727
PUBCHEM_352	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_352	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_352	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_352	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_352	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_352	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_352	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_352	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_352	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_352	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_352	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_352	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_352	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_352	O=C1OCC(C)O1	C108327
PUBCHEM_352	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_352	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_352	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_352	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_352	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_352	O=C(C)OCCOCCCC	C112072
PUBCHEM_352	OCCOCCOCCOC	C112356
PUBCHEM_352	OCCOCCOCCOCCO	C112607
PUBCHEM_352	OCC(CO)(CO)CO	C115775
PUBCHEM_352	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_352	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_352	OC(CCCCCC)C	C123966
PUBCHEM_352	OCC(N)(C)C	C124685
PUBCHEM_352	OCC(C)(C)CO	C126307
PUBCHEM_352	Oc1ccc2ccccc2c1	C135193
PUBCHEM_352	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_352	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_352	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_352	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_352	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_352	O=C1NCCC1	C616455
PUBCHEM_352	O=COC(C)C	C625558
PUBCHEM_352	OC(C)COc1ccccc1	C770354
PUBCHEM_352	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_352	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_352	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_352	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_352	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_352	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_352	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_352	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_352	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_352	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_352	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_352	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_352	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_352	OCCOCCC	C2807309
PUBCHEM_352	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_352	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_352	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_352	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_352	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_352	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_352	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_352	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_352	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_352	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_352	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_352	CC(CO)O	C25322694
PUBCHEM_352	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_352	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_352	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_352	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_352	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_352	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_352	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_352	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_352	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_352	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_352	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_352	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_352	OCC1OCCC1	C97994
PUBCHEM_352	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_352	CN1CCOCC1	C109024
PUBCHEM_352	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_352	O=C1CCCC1	C120923
PUBCHEM_352	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_352	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_352	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_352	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_352	O=C(C=C(C)C)C	C141797
PUBCHEM_352	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_352	OC(C)COCCC	C1569013
PUBCHEM_352	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_352	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_352	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_352	OCC(CCC)CCCCC	C10042598
PUBCHEM_352	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_352	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_352	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_352	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_352	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_352	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_352	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_352	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_352	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_352	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_352	OC(OCCCC)CC	C29387868
PUBCHEM_352	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_352	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_352	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_352	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_352	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_352	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_352	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_352	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_352	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_352	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_352	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_352	OCCSCCCCCCCC	C3547339
PUBCHEM_352	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_352	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_352	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_352	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_352	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_352	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_352	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_352	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_352	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_352	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_352	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_352	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_352	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_352	OC1CCCC1	C96413
PUBCHEM_352	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_352	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_352	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_352	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_352	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_352	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_352	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_352	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_352	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_352	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_352	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_352	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_352	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_352	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_352	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_352	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_352	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_352	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_352	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_352	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_352	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_352	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_352	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_352	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_352	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_352	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_352	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_352	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_352	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_352	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_352	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_352	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_352	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_352	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_352	OC(CCCCC)C=C	C3391864
PUBCHEM_352	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_352	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_352	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_352	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_352	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_352	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_352	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_352	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_352	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_352	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_352	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_352	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_352	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_352	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_352	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_352	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_352	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_352	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_352	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_352	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_352	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_352	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_352	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_352	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_352	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_352	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_352	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_352	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_352	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_352	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_352	O=C(CC)OCC	C105373
PUBCHEM_352	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_352	O=C(c1ccccc1O)C	C118934
PUBCHEM_352	O=C1OCC(CC)O1	C4437858
PUBCHEM_352	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_352	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_352	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_352	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_352	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_352	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_352	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_352	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_352	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_352	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_352	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_352	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_352	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_352	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_352	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_352	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_352	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_352	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_352	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_352	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_352	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_352	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_352	CC(O)COCC	C1569024
PUBCHEM_352	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_352	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_352	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_352	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_352	Oc1ccccc1CN(C)C	C120650
PUBCHEM_352	O=C1CCC(O1)CC	C695067
PUBCHEM_352	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_352	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_352	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_352	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_352	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_352	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_352	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_352	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_352	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_352	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_352	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_352	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_352	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_352	O=C/C=C/CCC	C6728263
PUBCHEM_352	O1C=CCCC1	C110872
PUBCHEM_352	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_352	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_352	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_352	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_352	OCC=Cc1ccccc1	C104541
PUBCHEM_352	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_352	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_352	NCCCN1CCOCC1	C123002
PUBCHEM_352	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_352	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_352	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_352	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_352	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_352	O=C(CCC)OCCCCC	C540181
PUBCHEM_352	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_352	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_352	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_352	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_352	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_352	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_352	N#Cc1c(O)cccc1	C611201
PUBCHEM_352	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_352	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_352	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_352	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_352	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_352	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_352	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_352	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_352	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_352	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_352	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_352	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_352	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_352	OP(OCC)OCC	C762049
PUBCHEM_352	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_352	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_352	OCCOCC(CC)CCCC	C1559359
PUBCHEM_352	O=C(CC)CCCCC	C106683
PUBCHEM_352	OCCN(CC)CCO	C139877
PUBCHEM_352	CCOC(OCC)OCC	C122510
PUBCHEM_352	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_352	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_352	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_352	O=C(CF)O	C144490
PUBCHEM_352	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_352	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_352	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_352	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_352	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_352	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_352	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_352	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_352	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_352	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_352	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_352	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_352	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_352	OC(C)C(=O)OCCCC	C138227
PUBCHEM_352	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_352	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_352	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_352	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_352	Oc1c(OCC)cccc1	C94713
PUBCHEM_352	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_352	COc1ccc(CCC)cc1	C104450
PUBCHEM_352	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_352	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_352	CCCO[Si](OCCC)(OCCC)OCCC	C682019
PUBCHEM_352	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_352	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_352	OC(CO)c1ccccc1	C93561
PUBCHEM_352	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_352	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_352	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_352	CCO[Si](OCC)(C)OCC	C2031676
PUBCHEM_352	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_352	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_352	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_352	O=C(C)OCCCCCCCC	C112141
PUBCHEM_352	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_352	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_352	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_352	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_352	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_352	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_352	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_352	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_352	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_352	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_352	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_352	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_352	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_352	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_352	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_352	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_352	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_352	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_352	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_352	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_352	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_352	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_352	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_352	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_352	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_352	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_352	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_352	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_352	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_352	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_352	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_352	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_352	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_352	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_352	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_352	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_352	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_352	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_352	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_352	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_352	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_352	OCCOCC(C)OCCO	C9003116
PUBCHEM_352	O=C1OC(CCC)CC1	C105215
PUBCHEM_352	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_352	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_352	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_352	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_352	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_352	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_352	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_352	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_352	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_352	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_352	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_352	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_352	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_352	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_352	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_352	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_352	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_352	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_352	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_352	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_352	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_352	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_352	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_352	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_352	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_352	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_352	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_352	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_352	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_352	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_352	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_352	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_352	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_352	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_352	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_352	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_352	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_352	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_352	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_352	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_352	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_352	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_352	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_352	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_352	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_352	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_352	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_352	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_352	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_352	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_352	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_352	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_352	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_352	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_352	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_352	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_352	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_352	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_352	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_352	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_352	c1ccccc1OCCO	C122996
PUBCHEM_352	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_352	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_352	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_352	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_352	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_352	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_352	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_352	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_352	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_352	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_352	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_352	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_352	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_352	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_352	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_352	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_352	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_352	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_352	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_352	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_352	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_352	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_352	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_352	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_352	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_352	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_352	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_352	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_352	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_352	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_352	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_352	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_352	OCCOC	C109864
PUBCHEM_352	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_352	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_352	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_352	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_352	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_352	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_352	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_352	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_352	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_352	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_352	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_352	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_352	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_352	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_352	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_352	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_352	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_352	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_352	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_352	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_352	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_352	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_352	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_352	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_352	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_352	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_352	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_352	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_352	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_352	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_352	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_352	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_352	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_352	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_352	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_352	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_352	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_352	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_352	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_352	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_352	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_352	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_352	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_352	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_352	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_352	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_352	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_352	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_352	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_352	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_352	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_352	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_352	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_352	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_352	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_352	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_352	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_352	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_352	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_352	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_352	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_352	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_352	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_352	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_352	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_352	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_352	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_352	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_352	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_352	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_352	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_352	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_352	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_352	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_352	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_352	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_352	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_352	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_352	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_352	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_352	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_352	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_352	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_352	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_352	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_352	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_352	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_352	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_352	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_352	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_352	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_352	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_352	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_352	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_352	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_352	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_352	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_352	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_352	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_352	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_352	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_352	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_352	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_352	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_352	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_352	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_352	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_352	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_352	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_352	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_352	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_352	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_352	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_352	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_352	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_352	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_352	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_352	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_352	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_352	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_352	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_352	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_352	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_352	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_352	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_352	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_352	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_352	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_352	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_352	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_352	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_352	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_352	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_352	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_352	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_352	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_352	NC(=O)C=C	C79061
PUBCHEM_352	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_352	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_352	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_352	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_352	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_352	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_352	c1coc2c1cccc2	C271896
PUBCHEM_352	OC(=O)c1ccccc1	C65850
PUBCHEM_352	OCc1ccccc1	C100516
PUBCHEM_352	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_352	ClCCOCCCl	C111444
PUBCHEM_352	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_352	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_352	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_352	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_352	O=C1CCCO1	C96480
PUBCHEM_352	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_352	O=C1CCCCCN1	C105602
PUBCHEM_352	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_352	Oc1c(cccc1)O	C120809
PUBCHEM_352	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_352	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_352	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_352	O=C(c1ccccc1)CCl	C532274
PUBCHEM_352	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_352	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_352	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_352	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_352	Nc1cc(ccc1OC)C	C120718
PUBCHEM_352	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_352	OC(=O)C(Cl)Cl	C79436
PUBCHEM_352	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_352	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_352	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_352	OCCOCCO	C111466
PUBCHEM_352	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_352	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_352	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_352	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_352	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_352	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_352	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_352	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_352	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_352	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_352	C(CO)O	C107211
PUBCHEM_352	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_352	CCC(CCCC)CO	C104767
PUBCHEM_352	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_352	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_352	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_352	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_352	O=Cc1ccco1	C98011
PUBCHEM_352	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_352	OCC(O)CO	C56815
PUBCHEM_352	OCC1CO1	C556525
PUBCHEM_352	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_352	Oc1ccc(cc1)O	C123319
PUBCHEM_352	Oc1cccc2cccnc12	C148243
PUBCHEM_352	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_352	O=C(c1ccncc1)NN	C54853
PUBCHEM_352	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_352	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_352	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_352	O=C1N(CCC1)C	C872504
PUBCHEM_352	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_352	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_352	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_352	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_352	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_352	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_352	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_352	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_352	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_352	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_352	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_352	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_352	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_352	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_352	Oc1ccccc1	C108952
PUBCHEM_352	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_352	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_352	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_352	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_352	O=S1(=O)CCCO1	C1120714
PUBCHEM_352	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_352	CC(CO)O	C57556
PUBCHEM_352	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_352	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_352	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_352	Oc1cc(ccc1)O	C108463
PUBCHEM_352	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_352	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_352	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_352	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_352	OC(=O)C=CC=CC	C110441
PUBCHEM_352	C1C(c2ccccc2)O1	C96093
PUBCHEM_352	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_352	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_352	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_352	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_352	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_352	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_352	OCCN(CCO)CCO	C102716
PUBCHEM_352	OCCOCCOCCO	C112276
PUBCHEM_352	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_352	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_352	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_352	NC(=O)OCC	C51796
PUBCHEM_352	O=C1N(C=C)CCC1	C88120
PUBCHEM_352	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_352	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_352	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_352	OC(=O)CCC	C107926
PUBCHEM_352	CCCCOCCOCCO	C112345
PUBCHEM_352	Oc1ccccc1Cl	C95578
PUBCHEM_352	CCCCCCCCCC(=O)O	C334485
PUBCHEM_352	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_352	O=C(O)CCCCCC	C111148
PUBCHEM_352	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_352	CCCCCC(=O)O	C142621
PUBCHEM_352	CCCCCCCCC(=O)O	C112050
PUBCHEM_352	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_352	CCCCCCCC=O	C124130
PUBCHEM_352	CCCCCCCC(=O)O	C124072
PUBCHEM_352	CCCCC=O	C110623
PUBCHEM_352	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_352	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_352	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_352	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_352	Oc1c(C)cccc1	C95487
PUBCHEM_352	c1ccccc1C(=O)C	C98862
PUBCHEM_352	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_352	CCN(CCO)CC	C100378
PUBCHEM_352	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_352	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_352	Oc1ccc(C)cc1	C106445
PUBCHEM_352	ClCCO	C107073
PUBCHEM_352	CC(=O)OCCOCC	C111159
PUBCHEM_352	OCCNCCO	C111422
PUBCHEM_352	CCCCCCCCO	C111875
PUBCHEM_352	CCOCCOCCO	C111900
PUBCHEM_352	CCCCCCCCCCO	C112301
PUBCHEM_352	CCCCCCCCCCCCCO	C112709
PUBCHEM_352	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_352	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_352	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_352	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_352	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_352	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_352	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_352	OCCN	C141435
PUBCHEM_352	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_352	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_352	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_352	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_352	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_352	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_352	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_352	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_352	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_352	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_352	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_352	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_352	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_352	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_352	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_352	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_352	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_352	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_352	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_352	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_352	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_352	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_352	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_352	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_352	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_352	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_352	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_352	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_352	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_352	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_352	Nc1c(OC)cccc1	C90040
PUBCHEM_352	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_352	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_352	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_352	O=S(=O)(OCC)OCC	C64675
PUBCHEM_352	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_352	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_352	Oc1c(cccc1C)C	C576261
PUBCHEM_352	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_352	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_352	CCOCCO	C110805
PUBCHEM_352	CCCCOCCO	C111762
PUBCHEM_352	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_352	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_352	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_352	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_352	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_352	OCCOCCOCCOCC	C112505
PUBCHEM_352	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_352	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_352	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_352	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_352	O(CCOC)CCOC	C111966
PUBCHEM_352	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_352	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_352	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_352	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_352	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_352	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_352	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_352	O(OC(C)(C)C)C(C)(C)C	C110054
PUBCHEM_352	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_352	OC(CCl)CCl	C96231
PUBCHEM_352	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_352	O(CCOC)CCO	C111773
PUBCHEM_352	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_352	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_352	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_352	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_352	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_352	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_352	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_352	O=C(O)C(CCCC)CC	C149575
PUBCHEM_352	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_352	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_352	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_352	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_352	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_352	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_352	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_352	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_352	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_352	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_352	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_352	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_352	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_352	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_352	C(OCCOC)COCCOC	C112492
PUBCHEM_352	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_352	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_352	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_352	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_352	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_352	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_352	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_352	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_352	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_352	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_352	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_352	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_352	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_352	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_352	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_352	OCCC(O)C	C107880
PUBCHEM_352	OC(CC(C)C)C	C108112
PUBCHEM_352	O=C(OC)CCCCCCC	C111115
PUBCHEM_352	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_352	OCCOCCCCCC	C112254
PUBCHEM_352	OCCCCCCCCCCC	C112425
PUBCHEM_352	OCCCCCCCCCCCC	C112538
PUBCHEM_352	OCCCCCCCCCCCCCC	C112721
PUBCHEM_352	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_352	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_352	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_352	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_352	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_352	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_352	O=C(C)OCCCCC	C628637
PUBCHEM_352	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_352	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_352	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_352	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_352	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_352	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_352	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_352	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_352	OC(OC(O)CC)CC	C25265718
PUBCHEM_352	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_352	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_352	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_352	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_352	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_352	OC(OCCCOC)CC	C34590948
PUBCHEM_352	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_352	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_352	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_352	O=C(OC)CC(=O)OC	C108598
PUBCHEM_352	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_352	CCC12N(COC1)COC2	C7747355
PUBCHEM_352	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_352	O=C(N)C(=C)C	C79390
PUBCHEM_352	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_352	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_352	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_352	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_352	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_352	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_352	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_352	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_352	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_352	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_352	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_352	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_352	O=Cc1ccccc1C=O	C643798
PUBCHEM_352	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_352	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_352	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_352	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_352	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_352	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_352	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_352	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_352	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_352	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_352	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_352	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_352	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_352	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_352	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_352	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_352	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_352	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_352	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_352	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_352	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_352	O=C(CCC)OCC	C105544
PUBCHEM_352	O=C(OCC)CCCCCC	C106309
PUBCHEM_352	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_352	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_352	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_352	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_352	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_352	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_352	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_352	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_352	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_352	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_352	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_352	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_352	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_352	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_352	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_352	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_352	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_352	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_352	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_352	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_352	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_352	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_352	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_352	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_352	O=C(C)NC	C79163
PUBCHEM_352	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_352	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_352	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_352	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_352	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_352	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_352	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_352	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_352	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_352	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_352	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_352	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_352	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_352	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_352	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_352	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_352	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_352	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_352	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_352	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_352	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_352	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_352	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_352	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_352	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_352	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_352	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_352	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_352	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_352	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_352	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_352	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_352	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_352	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_352	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_352	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_352	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_352	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_352	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_352	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_352	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_352	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_352	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_352	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_352	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_352	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_352	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_352	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_352	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_352	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_352	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_352	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_352	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_352	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_352	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_352	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_352	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_352	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_352	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_352	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_352	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_352	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_352	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_352	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_352	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_352	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_352	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_352	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_352	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_352	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_352	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_352	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_352	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_352	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_352	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_352	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_352	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_352	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_352	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_352	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_352	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_352	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_352	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_352	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_352	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_352	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_352	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_352	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_352	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_352	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_352	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_352	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_352	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_352	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_352	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_352	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_352	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_352	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_352	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_352	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_352	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_352	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_352	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_352	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_352	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_352	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_352	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_352	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_352	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_352	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_352	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_352	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_352	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_352	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_352	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_352	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_352	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_352	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_352	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_352	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_352	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_352	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_352	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_352	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_352	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_352	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_352	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_352	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_352	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_352	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_352	OCCCBr	C627189
PUBCHEM_352	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_352	C(=O)(C)O	C64197
PUBCHEM_352	C(CO)C(C)C	C123513
PUBCHEM_352	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_352	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_352	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_352	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_352	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_352	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_352	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_352	NCCOCCOCCN	C929599
PUBCHEM_352	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_352	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_352	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_352	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_352	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_352	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_352	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_352	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_352	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_352	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_352	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_352	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_352	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_352	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_352	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_352	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_352	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_352	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_352	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_352	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_352	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_352	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_352	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_352	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_352	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_352	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_352	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_352	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_352	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_352	OCCC(OC)C	C2517433
PUBCHEM_352	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_352	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_352	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_352	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_352	O=COCC	C109944
PUBCHEM_352	O=C(OCC)c1ccccc1	C93890
PUBCHEM_352	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_352	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_352	O=CCCSC	C3268493
PUBCHEM_352	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_352	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_352	CC(=O)OCC	C141786
PUBCHEM_352	CC(=O)OCCCC	C123864
PUBCHEM_352	CC(=O)CCC(C)C	C110123
PUBCHEM_352	CC(=O)CC(C)C	C108101
PUBCHEM_352	CC(C)C=O	C78842
PUBCHEM_352	CCCCCC=O	C66251
PUBCHEM_352	CCCC=O	C123728
PUBCHEM_352	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_352	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_352	CCC1CO1	C106887
PUBCHEM_352	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_352	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_352	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_352	CC1CC(=O)O1	C3068880
PUBCHEM_352	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_352	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_352	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_352	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_352	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_352	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_352	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_352	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_352	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_352	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_352	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_352	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_352	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_352	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_352	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_352	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_352	O=C(CCl)CCl	C534076
PUBCHEM_352	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_352	CC(=O)C(=O)O	C127173
PUBCHEM_352	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_352	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_352	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_352	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_352	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_352	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_352	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_352	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_352	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_352	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_352	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_352	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_352	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_352	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_352	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_352	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_352	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_352	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_352	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_352	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_352	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_352	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_352	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_352	Nc1ccc(OC)cc1	C104949
PUBCHEM_352	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_352	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_352	O=CC=CC=CCCCCC	C25152845
PUBCHEM_352	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_352	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_352	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_352	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_352	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_352	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_352	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_352	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_352	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_352	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_352	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_352	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_352	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_352	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_352	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_352	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_352	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_352	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_352	OCC=C(C)C	C556821
PUBCHEM_352	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_352	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_352	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_352	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_352	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_352	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_352	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_352	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_352	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_352	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_352	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_352	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_352	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_352	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_352	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_352	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_352	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_352	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_352	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_352	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_352	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_352	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_352	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_352	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_352	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_352	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_352	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_352	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_352	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_352	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_352	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_352	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_352	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_352	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_352	O=CCCCCCCCCC=C	C112458
PUBCHEM_352	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_352	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_352	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_352	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_352	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_352	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_352	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_352	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_352	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_352	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_352	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_352	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_352	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_352	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_352	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_352	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_352	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_352	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_352	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_352	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_352	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_352	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_352	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_352	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_352	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_352	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_352	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_352	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_352	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_352	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_352	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_352	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_352	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_352	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_352	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_352	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_352	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_352	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_352	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_352	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_352	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_352	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_352	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_352	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_352	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_352	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_352	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_352	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_352	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_352	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_352	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_352	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_352	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_352	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_352	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_352	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_352	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_352	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_352	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_352	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_352	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_352	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_352	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_352	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_352	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_352	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_352	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_352	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_352	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_352	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_352	O=C(OCCCCO)C=C	C2478106
PUBCHEM_352	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_352	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_352	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_352	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_352	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_352	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_352	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_352	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_352	NCCCOCCCCCCCC	C15930662
PUBCHEM_352	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_352	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_352	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_352	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_352	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_352	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_352	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_352	CC1COc2ccccc2N1	C32329207
PUBCHEM_352	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_352	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_352	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_352	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_352	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_352	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_352	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_352	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_352	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_352	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_352	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_352	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_352	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_352	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_352	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_352	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_352	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_352	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_352	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_352	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_352	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_352	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_352	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_352	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_352	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_352	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_352	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_352	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_352	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_352	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_352	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_352	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_352	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_352	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_352	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_352	CCCCCc1ccco1	C3777693
PUBCHEM_352	CCC(=O)C(=O)CC	C4437518
PUBCHEM_352	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_352	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_353	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_353	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_353	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_353	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_353	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_353	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_353	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_353	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_353	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_353	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_353	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_353	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_353	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_353	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_353	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_353	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_353	c1ccc2ncsc2c1	C95169
PUBCHEM_353	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_353	C(CCCCCC)CCCCCS	C112550
PUBCHEM_353	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_353	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_353	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_353	O=C(O)CS	C68111
PUBCHEM_353	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_353	Sc1ccccc1	C108985
PUBCHEM_353	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_353	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_353	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_353	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_353	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_353	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_353	SC(C)(C)CCCCCC	C25360105
PUBCHEM_353	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_353	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_353	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_353	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_353	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_353	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_353	OCCSCCCCCCCC	C3547339
PUBCHEM_353	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_353	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_353	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_353	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_353	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_353	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_353	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_353	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_353	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_353	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_353	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_353	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_353	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_353	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_353	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_353	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_353	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_353	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_353	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_353	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_353	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_353	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_353	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_353	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_353	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_353	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_353	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_353	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_353	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_353	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_353	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_353	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_353	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_353	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_353	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_353	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_353	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_353	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_353	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_353	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_353	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_353	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_353	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_353	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_353	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_353	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_353	Sc1ccc(C)cc1	C106456
PUBCHEM_353	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_353	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_353	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_353	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_353	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_353	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_353	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_353	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_353	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_353	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_353	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_353	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_353	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_353	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_353	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_353	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_353	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_353	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_353	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_353	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_353	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_353	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_353	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_353	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_353	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_353	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_353	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_353	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_353	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_353	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_353	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_353	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_353	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_353	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_353	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_353	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_353	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_353	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_353	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_353	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_353	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_353	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_353	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_353	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_353	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_353	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_353	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_353	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_353	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_353	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_353	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_353	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_353	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_353	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_353	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_353	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_353	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_353	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_353	O=S1(=O)CCCO1	C1120714
PUBCHEM_353	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_353	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_353	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_353	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_353	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_353	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_353	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_353	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_353	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_353	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_353	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_353	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_353	ON=CC(C)(C)SC	C1646759
PUBCHEM_353	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_353	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_353	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_353	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_353	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_353	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_353	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_353	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_353	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_353	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_353	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_353	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_353	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_353	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_353	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_353	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_353	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_353	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_353	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_353	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_353	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_353	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_353	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_353	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_353	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_353	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_353	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_353	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_353	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_353	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_353	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_353	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_353	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_353	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_353	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_353	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_353	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_353	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_353	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_353	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_353	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_353	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_353	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_353	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_353	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_353	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_353	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_353	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_353	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_353	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_353	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_353	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_353	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_353	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_353	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_353	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_353	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_353	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_353	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_353	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_353	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_353	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_353	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_353	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_353	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_353	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_353	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_353	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_353	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_353	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_353	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_353	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_353	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_353	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_353	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_353	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_353	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_353	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_353	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_353	O=CCCSC	C3268493
PUBCHEM_353	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_353	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_353	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_353	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_353	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_353	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_353	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_353	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_353	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_353	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_353	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_353	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_353	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_353	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_353	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_353	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_353	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_353	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_353	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_353	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_353	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_353	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_353	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_353	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_353	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_353	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_353	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_353	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_353	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_353	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_353	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_353	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_353	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_353	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_353	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_353	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_353	SC1CCCC1	C1679078
PUBCHEM_353	S=C=NCCCSC	C505793
PUBCHEM_353	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_353	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_353	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_353	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_354	NCCC[Si](OCC)(OCC)OCC	C919302
PUBCHEM_354	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_354	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_354	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_354	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_354	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_354	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_354	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_354	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_354	CCO[Si](OCC)(OCC)CC	C78079
PUBCHEM_354	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_354	CO[Si](OC)(CCC)OC	C1067250
PUBCHEM_354	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_354	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_355	Nc1ccccc1.Cl	C142041
PUBCHEM_355	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_355	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_355	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_355	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_355	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_355	CC(=O)OCc1ccccc1	C140114
PUBCHEM_355	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_355	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_355	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_355	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_355	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_355	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_355	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_355	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_355	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_355	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_355	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_355	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_355	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_355	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_355	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_355	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_355	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_355	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_355	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_355	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_355	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_355	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_355	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_355	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_355	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_355	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_355	c1cccc2[nH]ccc12	C120729
PUBCHEM_355	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_355	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_355	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_355	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_355	COc1ccc(cc1)O	C150765
PUBCHEM_355	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_355	C=Cc1ccc(cc1)C	C622979
PUBCHEM_355	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_355	NC(=O)c1cccnc1	C98920
PUBCHEM_355	OC(=O)c1cccnc1	C59676
PUBCHEM_355	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_355	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_355	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_355	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_355	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_355	Nc1ccc(cc1)N	C106503
PUBCHEM_355	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_355	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_355	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_355	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_355	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_355	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_355	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_355	Nc1ccccc1C.Cl	C636215
PUBCHEM_355	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_355	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_355	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_355	O=CCc1ccccc1	C122781
PUBCHEM_355	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_355	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_355	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_355	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_355	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_355	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_355	O=Cc1ccccc1O	C90028
PUBCHEM_355	Oc1cccc2ccccc12	C90153
PUBCHEM_355	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_355	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_355	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_355	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_355	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_355	Oc1ccc(Cl)cc1	C106489
PUBCHEM_355	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_355	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_355	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_355	Oc1ccc(CC)cc1	C123079
PUBCHEM_355	COc1ccc(OC)cc1	C150787
PUBCHEM_355	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_355	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_355	Oc1ccc(CCC)cc1	C645567
PUBCHEM_355	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_355	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_355	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_355	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_355	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_355	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_355	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_355	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_355	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_355	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_355	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_355	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_355	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_355	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_355	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_355	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_355	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_355	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_355	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_355	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_355	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_355	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_355	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_355	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_355	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_355	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_355	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_355	c1(c(CC)cccc1)O	C90006
PUBCHEM_355	c1c(O)cccc1CC	C620177
PUBCHEM_355	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_355	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_355	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_355	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_355	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_355	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_355	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_355	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_355	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_355	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_355	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_355	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_355	c1cccc(OC)c1O	C90051
PUBCHEM_355	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_355	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_355	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_355	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_355	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_355	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_355	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_355	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_355	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_355	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_355	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_355	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_355	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_355	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_355	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_355	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_355	Cc1cc(O)ccc1	C108394
PUBCHEM_355	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_355	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_355	c1ccc2ncsc2c1	C95169
PUBCHEM_355	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_355	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_355	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_355	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_355	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_355	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_355	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_355	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_355	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_355	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_355	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_355	Cc1c(C)cccc1O	C526750
PUBCHEM_355	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_355	C=Cc1ccccc1C=C	C1321740
PUBCHEM_355	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_355	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_355	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_355	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_355	c1c(CO)occ1	C98000
PUBCHEM_355	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_355	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_355	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_355	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_355	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_355	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_355	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_355	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_355	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_355	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_355	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_355	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_355	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_355	c12ccccc1CCCC2	C119642
PUBCHEM_355	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_355	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_355	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_355	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_355	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_355	Cc1cccc(C)c1	C108383
PUBCHEM_355	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_355	OCCc1ccccc1	C60128
PUBCHEM_355	O=C(O)c1ccccc1O	C69727
PUBCHEM_355	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_355	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_355	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_355	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_355	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_355	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_355	Sc1ccccc1	C108985
PUBCHEM_355	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_355	Oc1ccc2ccccc2c1	C135193
PUBCHEM_355	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_355	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_355	Brc1ccc(F)cc1	C460004
PUBCHEM_355	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_355	ClP(c1ccccc1)Cl	C644973
PUBCHEM_355	OC(C)COc1ccccc1	C770354
PUBCHEM_355	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_355	Nc1cccc(C)c1C	C1300738
PUBCHEM_355	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_355	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_355	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_355	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_355	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_355	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_355	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_355	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_355	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_355	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_355	Nc1c(C)cccc1CC	C24549062
PUBCHEM_355	Clc1cccc(C)c1	C25168052
PUBCHEM_355	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_355	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_355	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_355	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_355	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_355	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_355	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_355	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_355	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_355	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_355	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_355	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_355	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_355	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_355	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_355	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_355	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_355	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_355	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_355	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_355	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_355	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_355	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_355	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_355	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_355	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_355	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_355	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_355	OCn1nc(C)cc1C	C85264331
PUBCHEM_355	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_355	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_355	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_355	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_355	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_355	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_355	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_355	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_355	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_355	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_355	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_355	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_355	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_355	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_355	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_355	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_355	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_355	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_355	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_355	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_355	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_355	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_355	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_355	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_355	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_355	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_355	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_355	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_355	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_355	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_355	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_355	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_355	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_355	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_355	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_355	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_355	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_355	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_355	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_355	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_355	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_355	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_355	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_355	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_355	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_355	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_355	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_355	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_355	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_355	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_355	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_355	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_355	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_355	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_355	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_355	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_355	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_355	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_355	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_355	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_355	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_355	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_355	O=C(c1ccccc1O)C	C118934
PUBCHEM_355	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_355	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_355	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_355	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_355	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_355	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_355	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_355	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_355	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_355	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_355	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_355	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_355	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_355	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_355	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_355	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_355	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_355	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_355	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_355	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_355	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_355	Oc1ccccc1CN(C)C	C120650
PUBCHEM_355	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_355	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_355	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_355	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_355	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_355	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_355	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_355	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_355	OCC=Cc1ccccc1	C104541
PUBCHEM_355	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_355	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_355	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_355	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_355	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_355	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_355	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_355	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_355	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_355	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_355	N#Cc1c(O)cccc1	C611201
PUBCHEM_355	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_355	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_355	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_355	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_355	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_355	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_355	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_355	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_355	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_355	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_355	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_355	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_355	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_355	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_355	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_355	c12ccccc1CC=C2	C95136
PUBCHEM_355	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_355	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_355	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_355	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_355	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_355	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_355	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_355	Oc1c(OCC)cccc1	C94713
PUBCHEM_355	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_355	COc1ccc(CCC)cc1	C104450
PUBCHEM_355	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_355	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_355	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_355	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_355	OC(CO)c1ccccc1	C93561
PUBCHEM_355	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_355	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_355	O=C(N)Nc1ccccc1	C64108
PUBCHEM_355	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_355	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_355	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_355	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_355	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_355	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_355	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_355	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_355	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_355	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_355	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_355	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_355	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_355	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_355	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_355	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_355	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_355	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_355	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_355	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_355	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_355	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_355	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_355	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_355	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_355	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_355	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_355	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_355	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_355	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_355	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_355	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_355	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_355	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_355	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_355	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_355	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_355	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_355	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_355	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_355	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_355	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_355	Sc1ccc(C)cc1	C106456
PUBCHEM_355	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_355	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_355	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_355	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_355	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_355	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_355	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_355	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_355	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_355	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_355	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_355	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_355	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_355	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_355	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_355	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_355	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_355	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_355	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_355	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_355	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_355	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_355	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_355	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_355	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_355	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_355	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_355	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_355	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_355	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_355	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_355	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_355	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_355	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_355	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_355	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_355	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_355	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_355	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_355	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_355	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_355	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_355	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_355	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_355	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_355	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_355	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_355	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_355	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_355	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_355	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_355	c1ccccc1OCCO	C122996
PUBCHEM_355	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_355	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_355	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_355	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_355	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_355	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_355	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_355	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_355	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_355	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_355	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_355	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_355	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_355	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_355	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_355	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_355	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_355	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_355	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_355	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_355	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_355	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_355	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_355	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_355	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_355	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_355	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_355	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_355	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_355	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_355	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_355	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_355	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_355	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_355	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_355	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_355	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_355	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_355	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_355	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_355	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_355	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_355	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_355	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_355	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_355	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_355	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_355	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_355	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_355	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_355	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_355	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_355	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_355	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_355	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_355	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_355	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_355	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_355	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_355	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_355	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_355	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_355	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_355	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_355	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_355	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_355	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_355	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_355	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_355	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_355	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_355	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_355	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_355	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_355	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_355	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_355	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_355	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_355	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_355	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_355	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_355	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_355	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_355	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_355	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_355	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_355	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_355	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_355	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_355	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_355	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_355	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_355	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_355	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_355	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_355	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_355	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_355	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_355	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_355	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_355	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_355	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_355	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_355	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_355	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_355	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_355	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_355	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_355	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_355	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_355	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_355	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_355	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_355	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_355	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_355	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_355	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_355	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_355	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_355	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_355	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_355	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_355	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_355	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_355	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_355	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_355	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_355	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_355	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_355	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_355	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_355	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_355	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_355	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_355	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_355	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_355	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_355	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_355	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_355	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_355	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_355	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_355	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_355	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_355	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_355	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_355	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_355	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_355	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_355	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_355	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_355	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_355	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_355	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_355	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_355	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_355	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_355	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_355	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_355	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_355	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_355	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_355	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_355	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_355	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_355	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_355	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_355	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_355	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_355	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_355	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_355	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_355	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_355	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_355	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_355	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_355	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_355	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_355	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_355	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_355	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_355	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_355	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_355	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_355	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_355	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_355	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_355	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_355	c1coc2c1cccc2	C271896
PUBCHEM_355	OC(=O)c1ccccc1	C65850
PUBCHEM_355	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_355	OCc1ccccc1	C100516
PUBCHEM_355	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_355	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_355	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_355	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_355	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_355	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_355	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_355	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_355	Oc1c(cccc1)O	C120809
PUBCHEM_355	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_355	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_355	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_355	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_355	O=C(c1ccccc1)CCl	C532274
PUBCHEM_355	Nc1ccc(cc1)Cl	C106478
PUBCHEM_355	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_355	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_355	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_355	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_355	Nc1cc(ccc1OC)C	C120718
PUBCHEM_355	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_355	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_355	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_355	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_355	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_355	Clc1c(cccc1)Cl	C95501
PUBCHEM_355	Clc1ccc(cc1)Cl	C106467
PUBCHEM_355	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_355	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_355	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_355	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_355	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_355	CN(c1ccccc1)C	C121697
PUBCHEM_355	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_355	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_355	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_355	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_355	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_355	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_355	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_355	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_355	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_355	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_355	O=Cc1ccco1	C98011
PUBCHEM_355	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_355	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_355	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_355	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_355	Oc1ccc(cc1)O	C123319
PUBCHEM_355	Oc1cccc2cccnc12	C148243
PUBCHEM_355	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_355	O=C(c1ccncc1)NN	C54853
PUBCHEM_355	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_355	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_355	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_355	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_355	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_355	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_355	Cc1cc2cccnc2cc1	C91623
PUBCHEM_355	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_355	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_355	c1c2c(ccc1)cccc2	C91203
PUBCHEM_355	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_355	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_355	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_355	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_355	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_355	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_355	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_355	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_355	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_355	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_355	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_355	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_355	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_355	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_355	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_355	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_355	Oc1ccccc1	C108952
PUBCHEM_355	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_355	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_355	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_355	Nc1cc(ccc1)N	C108452
PUBCHEM_355	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_355	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_355	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_355	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_355	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_355	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_355	Oc1cc(ccc1)O	C108463
PUBCHEM_355	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_355	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_355	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_355	C1C(c2ccccc2)O1	C96093
PUBCHEM_355	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_355	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_355	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_355	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_355	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_355	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_355	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_355	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_355	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_355	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_355	Oc1ccccc1Cl	C95578
PUBCHEM_355	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_355	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_355	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_355	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_355	n1cccc2c1cccc2	C91225
PUBCHEM_355	CCN(CC)c1ccccc1	C91667
PUBCHEM_355	Oc1c(C)cccc1	C95487
PUBCHEM_355	c1ccccc1C(=O)C	C98862
PUBCHEM_355	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_355	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_355	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_355	CCNc1cc(C)ccc1	C102272
PUBCHEM_355	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_355	Oc1ccc(C)cc1	C106445
PUBCHEM_355	Nc1ccc(C)cc1	C106490
PUBCHEM_355	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_355	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_355	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_355	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_355	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_355	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_355	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_355	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_355	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_355	Clc1cc(Cl)ccc1	C541731
PUBCHEM_355	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_355	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_355	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_355	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_355	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_355	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_355	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_355	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_355	c1(CCCC)ccccc1	C104518
PUBCHEM_355	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_355	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_355	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_355	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_355	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_355	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_355	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_355	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_355	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_355	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_355	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_355	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_355	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_355	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_355	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_355	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_355	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_355	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_355	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_355	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_355	Nc1c(OC)cccc1	C90040
PUBCHEM_355	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_355	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_355	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_355	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_355	Cc1ccccc1Cl	C95498
PUBCHEM_355	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_355	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_355	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_355	Oc1c(cccc1C)C	C576261
PUBCHEM_355	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_355	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_355	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_355	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_355	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_355	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_355	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_355	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_355	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_355	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_355	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_355	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_355	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_355	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_355	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_355	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_355	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_355	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_355	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_355	Cc1ccc(Cl)cc1	C106434
PUBCHEM_355	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_355	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_355	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_355	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_355	Nc1cc(C)ccc1N	C496720
PUBCHEM_355	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_355	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_355	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_355	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_355	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_355	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_355	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_355	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_355	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_355	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_355	N(c1ccccc1)CC	C103695
PUBCHEM_355	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_355	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_355	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_355	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_355	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_355	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_355	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_355	Nc1c(N)cccc1	C95545
PUBCHEM_355	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_355	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_355	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_355	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_355	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_355	Nc1c(cccc1)C	C95534
PUBCHEM_355	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_355	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_355	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_355	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_355	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_355	Nc1c(cccc1C)C	C87627
PUBCHEM_355	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_355	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_355	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_355	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_355	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_355	N#Cc1cnccc1	C100549
PUBCHEM_355	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_355	Nc1cccc(C)c1	C108441
PUBCHEM_355	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_355	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_355	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_355	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_355	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_355	Nc1c(CC)cccc1CC	C579668
PUBCHEM_355	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_355	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_355	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_355	Nc1cccc(C)c1N	C2687254
PUBCHEM_355	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_355	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_355	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_355	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_355	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_355	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_355	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_355	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_355	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_355	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_355	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_355	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_355	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_355	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_355	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_355	O=Cc1ccccc1C=O	C643798
PUBCHEM_355	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_355	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_355	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_355	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_355	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_355	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_355	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_355	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_355	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_355	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_355	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_355	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_355	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_355	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_355	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_355	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_355	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_355	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_355	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_355	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_355	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_355	CCCc1ccccc1	C103651
PUBCHEM_355	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_355	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_355	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_355	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_355	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_355	CC(C)(C)c1ccccc1	C98066
PUBCHEM_355	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_355	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_355	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_355	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_355	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_355	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_355	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_355	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_355	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_355	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_355	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_355	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_355	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_355	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_355	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_355	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_355	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_355	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_355	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_355	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_355	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_355	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_355	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_355	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_355	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_355	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_355	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_355	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_355	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_355	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_355	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_355	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_355	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_355	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_355	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_355	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_355	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_355	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_355	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_355	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_355	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_355	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_355	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_355	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_355	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_355	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_355	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_355	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_355	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_355	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_355	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_355	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_355	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_355	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_355	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_355	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_355	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_355	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_355	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_355	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_355	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_355	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_355	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_355	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_355	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_355	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_355	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_355	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_355	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_355	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_355	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_355	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_355	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_355	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_355	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_355	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_355	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_355	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_355	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_355	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_355	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_355	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_355	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_355	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_355	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_355	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_355	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_355	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_355	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_355	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_355	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_355	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_355	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_355	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_355	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_355	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_355	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_355	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_355	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_355	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_355	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_355	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_355	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_355	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_355	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_355	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_355	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_355	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_355	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_355	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_355	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_355	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_355	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_355	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_355	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_355	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_355	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_355	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_355	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_355	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_355	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_355	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_355	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_355	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_355	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_355	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_355	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_355	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_355	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_355	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_355	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_355	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_355	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_355	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_355	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_355	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_355	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_355	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_355	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_355	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_355	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_355	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_355	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_355	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_355	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_355	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_355	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_355	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_355	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_355	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_355	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_355	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_355	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_355	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_355	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_355	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_355	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_355	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_355	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_355	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_355	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_355	O=C(OCC)c1ccccc1	C93890
PUBCHEM_355	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_355	NCc1cccc(CN)c1	C1477550
PUBCHEM_355	n1cc(C)ccc1	C108996
PUBCHEM_355	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_355	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_355	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_355	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_355	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_355	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_355	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_355	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_355	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_355	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_355	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_355	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_355	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_355	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_355	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_355	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_355	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_355	NNc1ccccc1.Cl	C59881
PUBCHEM_355	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_355	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_355	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_355	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_355	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_355	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_355	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_355	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_355	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_355	N#Cc1ccccc1	C100470
PUBCHEM_355	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_355	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_355	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_355	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_355	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_355	Nc1ccc(Br)cc1	C106401
PUBCHEM_355	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_355	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_355	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_355	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_355	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_355	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_355	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_355	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_355	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_355	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_355	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_355	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_355	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_355	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_355	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_355	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_355	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_355	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_355	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_355	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_355	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_355	Nc1ccc(OC)cc1	C104949
PUBCHEM_355	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_355	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_355	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_355	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_355	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_355	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_355	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_355	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_355	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_355	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_355	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_355	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_355	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_355	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_355	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_355	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_355	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_355	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_355	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_355	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_355	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_355	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_355	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_355	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_355	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_355	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_355	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_355	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_355	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_355	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_355	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_355	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_355	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_355	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_355	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_355	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_355	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_355	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_355	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_355	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_355	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_355	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_355	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_355	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_355	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_355	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_355	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_355	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_355	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_355	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_355	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_355	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_355	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_355	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_355	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_355	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_355	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_355	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_355	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_355	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_355	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_355	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_355	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_355	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_355	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_355	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_355	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_355	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_355	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_355	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_355	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_355	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_355	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_355	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_355	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_355	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_355	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_355	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_355	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_355	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_355	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_355	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_355	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_355	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_355	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_355	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_355	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_355	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_355	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_355	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_355	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_355	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_355	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_355	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_355	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_355	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_355	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_355	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_355	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_355	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_355	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_355	Cl[Hg]c1ccccc1	C100561
PUBCHEM_355	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_355	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_355	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_355	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_355	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_355	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_355	O=[As]c1ccccc1	C637036
PUBCHEM_355	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_355	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_355	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_355	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_355	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_355	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_355	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_355	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_355	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_355	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_355	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_355	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_355	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_355	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_355	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_355	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_355	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_355	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_355	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_355	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_355	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_355	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_355	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_355	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_355	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_355	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_355	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_355	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_355	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_355	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_355	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_355	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_355	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_355	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_355	Nc1cccc(C)n1	C1824813
PUBCHEM_355	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_355	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_355	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_355	CC1COc2ccccc2N1	C32329207
PUBCHEM_355	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_355	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_355	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_355	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_355	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_355	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_355	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_355	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_355	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_355	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_355	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_355	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_355	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_355	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_355	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_355	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_355	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_355	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_355	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_355	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_355	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_355	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_355	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_355	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_355	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_355	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_355	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_355	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_355	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_355	CCCCCc1ccco1	C3777693
PUBCHEM_355	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_356	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_356	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_356	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_356	CC(=O)OCc1ccccc1	C140114
PUBCHEM_356	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_356	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_356	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_356	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_356	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_356	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_356	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_356	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_356	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_356	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_356	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_356	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_356	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_356	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_356	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_356	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_356	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_356	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_356	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_356	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_356	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_356	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_356	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_356	c1cccc2[nH]ccc12	C120729
PUBCHEM_356	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_356	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_356	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_356	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_356	C=Cc1ccc(cc1)C	C622979
PUBCHEM_356	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_356	NC(=O)c1cccnc1	C98920
PUBCHEM_356	OC(=O)c1cccnc1	C59676
PUBCHEM_356	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_356	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_356	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_356	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_356	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_356	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_356	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_356	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_356	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_356	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_356	Nc1ccccc1C.Cl	C636215
PUBCHEM_356	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_356	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_356	O=CCc1ccccc1	C122781
PUBCHEM_356	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_356	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_356	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_356	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_356	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_356	O=Cc1ccccc1O	C90028
PUBCHEM_356	Oc1cccc2ccccc12	C90153
PUBCHEM_356	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_356	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_356	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_356	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_356	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_356	Oc1ccc(CC)cc1	C123079
PUBCHEM_356	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_356	Oc1ccc(CCC)cc1	C645567
PUBCHEM_356	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_356	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_356	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_356	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_356	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_356	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_356	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_356	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_356	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_356	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_356	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_356	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_356	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_356	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_356	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_356	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_356	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_356	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_356	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_356	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_356	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_356	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_356	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_356	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_356	c1(c(CC)cccc1)O	C90006
PUBCHEM_356	c1c(O)cccc1CC	C620177
PUBCHEM_356	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_356	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_356	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_356	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_356	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_356	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_356	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_356	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_356	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_356	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_356	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_356	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_356	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_356	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_356	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_356	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_356	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_356	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_356	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_356	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_356	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_356	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_356	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_356	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_356	Cc1cc(O)ccc1	C108394
PUBCHEM_356	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_356	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_356	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_356	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_356	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_356	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_356	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_356	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_356	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_356	Cc1c(C)cccc1O	C526750
PUBCHEM_356	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_356	C=Cc1ccccc1C=C	C1321740
PUBCHEM_356	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_356	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_356	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_356	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_356	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_356	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_356	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_356	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_356	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_356	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_356	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_356	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_356	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_356	c12ccccc1CCCC2	C119642
PUBCHEM_356	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_356	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_356	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_356	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_356	Cc1cccc(C)c1	C108383
PUBCHEM_356	OCCc1ccccc1	C60128
PUBCHEM_356	O=C(O)c1ccccc1O	C69727
PUBCHEM_356	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_356	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_356	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_356	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_356	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_356	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_356	Oc1ccc2ccccc2c1	C135193
PUBCHEM_356	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_356	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_356	Nc1cccc(C)c1C	C1300738
PUBCHEM_356	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_356	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_356	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_356	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_356	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_356	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_356	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_356	Nc1c(C)cccc1CC	C24549062
PUBCHEM_356	Clc1cccc(C)c1	C25168052
PUBCHEM_356	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_356	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_356	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_356	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_356	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_356	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_356	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_356	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_356	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_356	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_356	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_356	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_356	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_356	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_356	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_356	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_356	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_356	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_356	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_356	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_356	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_356	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_356	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_356	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_356	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_356	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_356	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_356	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_356	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_356	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_356	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_356	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_356	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_356	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_356	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_356	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_356	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_356	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_356	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_356	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_356	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_356	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_356	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_356	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_356	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_356	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_356	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_356	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_356	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_356	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_356	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_356	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_356	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_356	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_356	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_356	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_356	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_356	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_356	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_356	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_356	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_356	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_356	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_356	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_356	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_356	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_356	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_356	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_356	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_356	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_356	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_356	O=C(c1ccccc1O)C	C118934
PUBCHEM_356	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_356	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_356	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_356	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_356	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_356	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_356	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_356	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_356	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_356	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_356	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_356	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_356	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_356	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_356	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_356	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_356	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_356	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_356	Oc1ccccc1CN(C)C	C120650
PUBCHEM_356	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_356	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_356	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_356	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_356	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_356	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_356	OCC=Cc1ccccc1	C104541
PUBCHEM_356	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_356	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_356	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_356	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_356	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_356	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_356	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_356	N#Cc1c(O)cccc1	C611201
PUBCHEM_356	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_356	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_356	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_356	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_356	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_356	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_356	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_356	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_356	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_356	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_356	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_356	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_356	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_356	c12ccccc1CC=C2	C95136
PUBCHEM_356	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_356	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_356	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_356	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_356	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_356	COc1ccc(CCC)cc1	C104450
PUBCHEM_356	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_356	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_356	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_356	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_356	OC(CO)c1ccccc1	C93561
PUBCHEM_356	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_356	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_356	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_356	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_356	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_356	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_356	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_356	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_356	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_356	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_356	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_356	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_356	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_356	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_356	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_356	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_356	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_356	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_356	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_356	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_356	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_356	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_356	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_356	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_356	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_356	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_356	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_356	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_356	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_356	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_356	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_356	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_356	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_356	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_356	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_356	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_356	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_356	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_356	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_356	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_356	Sc1ccc(C)cc1	C106456
PUBCHEM_356	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_356	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_356	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_356	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_356	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_356	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_356	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_356	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_356	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_356	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_356	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_356	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_356	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_356	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_356	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_356	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_356	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_356	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_356	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_356	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_356	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_356	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_356	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_356	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_356	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_356	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_356	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_356	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_356	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_356	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_356	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_356	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_356	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_356	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_356	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_356	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_356	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_356	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_356	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_356	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_356	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_356	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_356	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_356	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_356	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_356	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_356	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_356	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_356	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_356	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_356	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_356	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_356	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_356	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_356	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_356	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_356	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_356	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_356	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_356	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_356	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_356	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_356	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_356	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_356	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_356	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_356	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_356	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_356	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_356	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_356	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_356	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_356	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_356	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_356	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_356	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_356	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_356	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_356	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_356	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_356	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_356	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_356	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_356	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_356	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_356	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_356	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_356	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_356	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_356	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_356	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_356	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_356	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_356	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_356	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_356	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_356	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_356	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_356	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_356	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_356	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_356	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_356	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_356	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_356	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_356	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_356	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_356	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_356	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_356	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_356	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_356	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_356	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_356	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_356	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_356	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_356	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_356	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_356	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_356	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_356	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_356	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_356	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_356	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_356	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_356	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_356	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_356	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_356	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_356	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_356	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_356	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_356	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_356	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_356	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_356	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_356	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_356	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_356	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_356	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_356	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_356	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_356	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_356	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_356	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_356	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_356	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_356	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_356	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_356	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_356	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_356	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_356	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_356	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_356	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_356	c1coc2c1cccc2	C271896
PUBCHEM_356	OC(=O)c1ccccc1	C65850
PUBCHEM_356	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_356	OCc1ccccc1	C100516
PUBCHEM_356	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_356	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_356	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_356	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_356	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_356	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_356	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_356	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_356	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_356	O=C(c1ccccc1)CCl	C532274
PUBCHEM_356	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_356	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_356	Nc1cc(ccc1OC)C	C120718
PUBCHEM_356	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_356	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_356	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_356	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_356	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_356	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_356	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_356	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_356	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_356	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_356	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_356	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_356	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_356	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_356	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_356	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_356	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_356	Oc1cccc2cccnc12	C148243
PUBCHEM_356	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_356	O=C(c1ccncc1)NN	C54853
PUBCHEM_356	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_356	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_356	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_356	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_356	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_356	Cc1cc2cccnc2cc1	C91623
PUBCHEM_356	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_356	c1c2c(ccc1)cccc2	C91203
PUBCHEM_356	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_356	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_356	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_356	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_356	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_356	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_356	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_356	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_356	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_356	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_356	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_356	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_356	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_356	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_356	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_356	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_356	C1C(c2ccccc2)O1	C96093
PUBCHEM_356	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_356	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_356	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_356	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_356	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_356	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_356	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_356	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_356	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_356	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_356	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_356	n1cccc2c1cccc2	C91225
PUBCHEM_356	Oc1c(C)cccc1	C95487
PUBCHEM_356	c1ccccc1C(=O)C	C98862
PUBCHEM_356	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_356	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_356	CCNc1cc(C)ccc1	C102272
PUBCHEM_356	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_356	Oc1ccc(C)cc1	C106445
PUBCHEM_356	Nc1ccc(C)cc1	C106490
PUBCHEM_356	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_356	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_356	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_356	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_356	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_356	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_356	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_356	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_356	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_356	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_356	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_356	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_356	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_356	c1(CCCC)ccccc1	C104518
PUBCHEM_356	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_356	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_356	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_356	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_356	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_356	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_356	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_356	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_356	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_356	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_356	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_356	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_356	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_356	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_356	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_356	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_356	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_356	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_356	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_356	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_356	Cc1ccccc1Cl	C95498
PUBCHEM_356	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_356	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_356	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_356	Oc1c(cccc1C)C	C576261
PUBCHEM_356	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_356	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_356	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_356	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_356	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_356	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_356	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_356	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_356	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_356	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_356	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_356	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_356	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_356	Cc1ccc(Cl)cc1	C106434
PUBCHEM_356	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_356	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_356	Nc1cc(C)ccc1N	C496720
PUBCHEM_356	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_356	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_356	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_356	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_356	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_356	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_356	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_356	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_356	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_356	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_356	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_356	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_356	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_356	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_356	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_356	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_356	Nc1c(cccc1)C	C95534
PUBCHEM_356	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_356	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_356	Nc1c(cccc1C)C	C87627
PUBCHEM_356	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_356	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_356	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_356	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_356	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_356	N#Cc1cnccc1	C100549
PUBCHEM_356	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_356	Nc1cccc(C)c1	C108441
PUBCHEM_356	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_356	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_356	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_356	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_356	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_356	Nc1c(CC)cccc1CC	C579668
PUBCHEM_356	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_356	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_356	Nc1cccc(C)c1N	C2687254
PUBCHEM_356	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_356	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_356	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_356	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_356	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_356	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_356	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_356	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_356	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_356	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_356	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_356	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_356	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_356	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_356	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_356	O=Cc1ccccc1C=O	C643798
PUBCHEM_356	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_356	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_356	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_356	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_356	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_356	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_356	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_356	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_356	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_356	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_356	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_356	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_356	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_356	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_356	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_356	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_356	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_356	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_356	CCCc1ccccc1	C103651
PUBCHEM_356	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_356	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_356	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_356	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_356	CC(C)(C)c1ccccc1	C98066
PUBCHEM_356	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_356	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_356	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_356	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_356	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_356	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_356	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_356	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_356	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_356	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_356	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_356	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_356	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_356	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_356	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_356	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_356	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_356	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_356	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_356	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_356	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_356	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_356	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_356	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_356	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_356	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_356	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_356	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_356	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_356	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_356	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_356	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_356	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_356	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_356	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_356	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_356	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_356	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_356	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_356	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_356	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_356	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_356	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_356	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_356	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_356	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_356	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_356	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_356	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_356	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_356	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_356	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_356	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_356	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_356	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_356	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_356	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_356	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_356	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_356	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_356	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_356	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_356	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_356	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_356	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_356	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_356	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_356	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_356	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_356	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_356	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_356	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_356	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_356	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_356	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_356	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_356	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_356	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_356	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_356	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_356	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_356	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_356	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_356	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_356	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_356	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_356	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_356	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_356	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_356	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_356	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_356	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_356	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_356	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_356	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_356	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_356	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_356	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_356	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_356	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_356	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_356	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_356	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_356	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_356	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_356	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_356	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_356	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_356	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_356	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_356	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_356	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_356	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_356	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_356	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_356	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_356	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_356	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_356	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_356	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_356	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_356	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_356	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_356	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_356	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_356	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_356	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_356	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_356	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_356	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_356	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_356	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_356	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_356	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_356	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_356	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_356	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_356	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_356	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_356	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_356	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_356	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_356	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_356	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_356	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_356	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_356	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_356	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_356	O=C(OCC)c1ccccc1	C93890
PUBCHEM_356	NCc1cccc(CN)c1	C1477550
PUBCHEM_356	n1cc(C)ccc1	C108996
PUBCHEM_356	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_356	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_356	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_356	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_356	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_356	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_356	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_356	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_356	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_356	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_356	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_356	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_356	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_356	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_356	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_356	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_356	N#Cc1ccccc1	C100470
PUBCHEM_356	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_356	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_356	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_356	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_356	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_356	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_356	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_356	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_356	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_356	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_356	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_356	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_356	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_356	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_356	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_356	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_356	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_356	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_356	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_356	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_356	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_356	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_356	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_356	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_356	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_356	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_356	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_356	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_356	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_356	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_356	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_356	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_356	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_356	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_356	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_356	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_356	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_356	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_356	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_356	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_356	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_356	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_356	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_356	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_356	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_356	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_356	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_356	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_356	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_356	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_356	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_356	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_356	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_356	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_356	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_356	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_356	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_356	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_356	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_356	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_356	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_356	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_356	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_356	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_356	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_356	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_356	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_356	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_356	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_356	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_356	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_356	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_356	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_356	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_356	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_356	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_356	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_356	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_356	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_356	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_356	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_356	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_356	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_356	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_356	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_356	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_356	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_356	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_356	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_356	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_356	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_356	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_356	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_356	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_356	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_356	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_356	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_356	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_356	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_356	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_356	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_356	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_356	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_356	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_356	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_356	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_356	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_356	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_356	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_356	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_356	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_356	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_356	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_356	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_356	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_356	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_356	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_356	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_356	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_356	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_356	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_356	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_356	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_356	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_356	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_356	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_356	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_356	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_356	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_356	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_356	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_356	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_356	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_356	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_356	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_356	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_356	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_356	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_356	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_356	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_356	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_356	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_356	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_356	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_356	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_356	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_356	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_356	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_356	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_356	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_356	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_356	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_356	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_356	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_356	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_357	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_357	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_357	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_357	c1cccc2[nH]ccc12	C120729
PUBCHEM_357	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_357	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_357	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_357	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_357	c1ccc2ncsc2c1	C95169
PUBCHEM_357	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_357	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_357	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_357	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_357	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_357	OCn1nc(C)cc1C	C85264331
PUBCHEM_357	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_357	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_357	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_357	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_357	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_357	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_357	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_357	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_357	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_357	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_357	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_357	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_357	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_357	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_357	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_357	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_357	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_357	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_357	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_357	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_357	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_357	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_357	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_357	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_357	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_357	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_357	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_357	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_357	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_357	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_357	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_357	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_357	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_357	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_357	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_357	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_357	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_357	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_357	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_357	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_357	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_357	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_357	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_357	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_357	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_357	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_357	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_357	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_357	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_357	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_357	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_357	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_357	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_357	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_357	Oc1cccc2cccnc12	C148243
PUBCHEM_357	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_357	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_357	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_357	Cc1cc2cccnc2cc1	C91623
PUBCHEM_357	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_357	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_357	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_357	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_357	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_357	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_357	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_357	n1cccc2c1cccc2	C91225
PUBCHEM_357	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_357	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_357	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_357	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_357	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_357	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_357	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_357	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_357	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_357	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_357	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_357	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_357	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_357	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_357	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_357	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_357	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_357	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_357	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_357	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_357	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_357	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_357	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_357	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_357	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_357	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_357	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_357	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_357	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_357	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_357	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_357	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_357	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_357	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_357	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_357	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_357	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_357	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_357	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_357	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_357	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_357	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_357	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_357	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_357	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_357	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_357	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_357	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_357	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_357	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_357	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_357	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_357	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_357	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_357	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_357	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_357	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_357	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_357	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_357	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_357	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_357	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_357	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_357	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_357	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_357	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_357	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_357	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_357	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_357	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_357	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_357	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_357	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_357	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_357	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_357	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_357	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_357	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_357	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_357	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_357	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_357	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_357	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_357	Nc1cccc(C)n1	C1824813
PUBCHEM_357	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_357	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_358	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_358	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_358	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_358	c1cccc2[nH]ccc12	C120729
PUBCHEM_358	NC(=O)c1cccnc1	C98920
PUBCHEM_358	OC(=O)c1cccnc1	C59676
PUBCHEM_358	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_358	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_358	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_358	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_358	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_358	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_358	c1ccc2ncsc2c1	C95169
PUBCHEM_358	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_358	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_358	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_358	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_358	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_358	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_358	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_358	n1c[nH]cc1	C288324
PUBCHEM_358	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_358	OCn1nc(C)cc1C	C85264331
PUBCHEM_358	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_358	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_358	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_358	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_358	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_358	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_358	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_358	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_358	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_358	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_358	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_358	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_358	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_358	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_358	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_358	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_358	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_358	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_358	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_358	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_358	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_358	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_358	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_358	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_358	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_358	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_358	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_358	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_358	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_358	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_358	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_358	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_358	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_358	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_358	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_358	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_358	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_358	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_358	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_358	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_358	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_358	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_358	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_358	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_358	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_358	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_358	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_358	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_358	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_358	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_358	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_358	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_358	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_358	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_358	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_358	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_358	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_358	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_358	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_358	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_358	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_358	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_358	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_358	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_358	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_358	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_358	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_358	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_358	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_358	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_358	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_358	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_358	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_358	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_358	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_358	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_358	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_358	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_358	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_358	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_358	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_358	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_358	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_358	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_358	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_358	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_358	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_358	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_358	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_358	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_358	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_358	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_358	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_358	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_358	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_358	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_358	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_358	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_358	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_358	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_358	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_358	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_358	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_358	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_358	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_358	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_358	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_358	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_358	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_358	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_358	Oc1cccc2cccnc12	C148243
PUBCHEM_358	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_358	O=C(c1ccncc1)NN	C54853
PUBCHEM_358	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_358	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_358	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_358	Cc1cc2cccnc2cc1	C91623
PUBCHEM_358	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_358	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_358	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_358	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_358	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_358	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_358	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_358	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_358	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_358	n1cccc2c1cccc2	C91225
PUBCHEM_358	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_358	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_358	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_358	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_358	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_358	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_358	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_358	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_358	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_358	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_358	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_358	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_358	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_358	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_358	N#Cc1cnccc1	C100549
PUBCHEM_358	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_358	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_358	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_358	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_358	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_358	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_358	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_358	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_358	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_358	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_358	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_358	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_358	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_358	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_358	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_358	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_358	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_358	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_358	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_358	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_358	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_358	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_358	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_358	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_358	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_358	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_358	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_358	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_358	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_358	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_358	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_358	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_358	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_358	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_358	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_358	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_358	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_358	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_358	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_358	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_358	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_358	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_358	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_358	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_358	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_358	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_358	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_358	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_358	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_358	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_358	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_358	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_358	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_358	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_358	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_358	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_358	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_358	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_358	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_358	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_358	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_358	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_358	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_358	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_358	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_358	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_358	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_358	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_358	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_358	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_358	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_358	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_358	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_358	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_358	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_358	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_358	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_358	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_358	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_358	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_358	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_358	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_358	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_358	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_358	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_358	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_358	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_358	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_358	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_358	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_358	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_358	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_358	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_358	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_358	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_358	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_358	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_358	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_358	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_358	n1cc(C)ccc1	C108996
PUBCHEM_358	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_358	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_358	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_358	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_358	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_358	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_358	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_358	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_358	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_358	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_358	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_358	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_358	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_358	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_358	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_358	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_358	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_358	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_358	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_358	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_358	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_358	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_358	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_358	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_358	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_358	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_358	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_358	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_358	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_358	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_358	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_358	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_358	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_358	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_358	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_358	Nc1cccc(C)n1	C1824813
PUBCHEM_358	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_358	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_358	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_358	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_359	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_359	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_359	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_359	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_359	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_359	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_359	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_359	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_359	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_359	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_359	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_359	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_359	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_359	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_359	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_359	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_359	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_359	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_359	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_359	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_359	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_359	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_359	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_359	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_359	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_359	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_359	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_359	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_359	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_359	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_359	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_359	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_359	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_359	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_359	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_359	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_359	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_359	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_359	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_359	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_359	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_359	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_359	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_359	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_359	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_359	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_359	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_359	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_359	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_359	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_359	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_359	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_359	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_359	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_359	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_359	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_359	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_359	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_359	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_359	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_360	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_360	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_360	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_360	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_360	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_360	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_360	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_360	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_360	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_360	ClC(Cl)(C)C	C594207
PUBCHEM_360	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_360	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_360	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_360	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_360	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_360	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_360	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_360	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_360	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_360	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_360	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_360	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_360	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_360	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_360	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_360	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_360	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_360	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_360	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_360	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_360	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_360	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_360	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_360	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_360	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_360	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_360	OC(=O)C(Cl)Cl	C79436
PUBCHEM_360	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_360	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_360	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_360	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_360	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_360	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_360	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_360	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_360	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_360	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_360	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_360	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_360	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_360	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_360	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_361	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_361	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_361	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_362	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_362	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_362	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_362	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_362	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_362	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_362	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_362	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_362	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_362	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_362	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_362	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_362	Oc1ccc(Cl)cc1	C106489
PUBCHEM_362	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_362	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_362	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_362	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_362	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_362	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_362	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_362	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_362	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_362	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_362	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_362	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_362	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_362	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_362	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_362	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_362	Clc1cccc(C)c1	C25168052
PUBCHEM_362	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_362	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_362	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_362	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_362	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_362	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_362	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_362	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_362	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_362	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_362	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_362	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_362	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_362	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_362	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_362	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_362	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_362	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_362	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_362	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_362	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_362	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_362	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_362	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_362	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_362	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_362	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_362	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_362	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_362	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_362	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_362	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_362	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_362	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_362	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_362	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_362	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_362	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_362	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_362	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_362	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_362	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_362	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_362	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_362	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_362	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_362	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_362	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_362	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_362	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_362	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_362	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_362	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_362	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_362	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_362	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_362	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_362	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_362	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_362	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_362	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_362	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_362	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_362	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_362	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_362	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_362	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_362	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_362	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_362	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_362	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_362	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_362	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_362	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_362	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_362	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_362	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_362	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_362	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_362	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_362	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_362	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_362	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_362	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_362	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_362	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_362	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_362	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_362	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_362	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_362	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_362	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_362	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_362	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_362	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_362	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_362	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_362	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_362	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_362	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_362	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_362	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_362	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_362	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_362	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_362	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_362	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_362	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_362	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_362	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_362	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_362	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_362	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_362	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_362	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_362	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_362	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_362	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_362	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_362	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_362	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_362	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_362	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_362	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_362	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_362	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_362	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_362	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_362	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_362	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_362	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_362	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_362	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_362	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_362	Nc1ccc(cc1)Cl	C106478
PUBCHEM_362	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_362	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_362	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_362	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_362	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_362	Clc1c(cccc1)Cl	C95501
PUBCHEM_362	Clc1ccc(cc1)Cl	C106467
PUBCHEM_362	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_362	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_362	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_362	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_362	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_362	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_362	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_362	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_362	Oc1ccccc1Cl	C95578
PUBCHEM_362	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_362	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_362	Clc1cc(Cl)ccc1	C541731
PUBCHEM_362	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_362	Cc1ccccc1Cl	C95498
PUBCHEM_362	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_362	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_362	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_362	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_362	Cc1ccc(Cl)cc1	C106434
PUBCHEM_362	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_362	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_362	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_362	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_362	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_362	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_362	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_362	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_362	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_362	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_362	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_362	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_362	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_362	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_362	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_362	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_362	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_362	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_362	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_362	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_362	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_362	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_362	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_362	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_362	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_362	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_362	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_362	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_362	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_362	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_362	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_362	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_362	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_362	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_362	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_362	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_362	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_362	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_362	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_362	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_362	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_362	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_362	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_362	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_362	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_362	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_362	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_362	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_362	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_362	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_362	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_362	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_362	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_362	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_362	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_362	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_362	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_362	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_362	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_362	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_362	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_362	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_362	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_362	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_362	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_362	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_362	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_362	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_362	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_362	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_362	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_362	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_362	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_362	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_362	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_362	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_362	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_362	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_362	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_362	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_362	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_362	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_362	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_362	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_362	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_362	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_362	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_362	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_362	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_362	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_362	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_362	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_362	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_362	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_362	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_362	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_362	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_362	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_362	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_362	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_363	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_363	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_363	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_363	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_363	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_363	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_363	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_363	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_363	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_363	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_363	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_363	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_363	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_363	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_363	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_363	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_363	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_363	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_363	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_363	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_363	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_363	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_363	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_363	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_363	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_363	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_363	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_363	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_363	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_363	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_363	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_363	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_363	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_363	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_363	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_363	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_363	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_363	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_363	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_363	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_363	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_363	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_363	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_363	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_363	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_363	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_363	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_363	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_363	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_363	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_363	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_363	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_363	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_363	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_363	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_363	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_363	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_363	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_363	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_363	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_363	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_363	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_363	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_363	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_363	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_363	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_363	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_363	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_363	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_363	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_363	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_363	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_363	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_363	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_363	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_363	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_363	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_363	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_363	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_363	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_363	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_363	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_363	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_363	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_363	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_363	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_363	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_363	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_363	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_363	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_363	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_363	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_363	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_363	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_363	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_363	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_363	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_363	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_363	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_363	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_363	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_363	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_363	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_363	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_363	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_363	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_363	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_363	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_364	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_364	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_364	Brc1ccc(F)cc1	C460004
PUBCHEM_364	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_364	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_364	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_364	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_364	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_364	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_364	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_364	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_364	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_364	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_364	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_364	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_364	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_364	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_364	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_364	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_364	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_364	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_364	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_364	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_364	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_364	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_364	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_364	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_364	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_364	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_364	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_364	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_364	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_364	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_364	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_364	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_364	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_364	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_364	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_364	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_364	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_364	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_364	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_364	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_364	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_364	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_364	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_364	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_364	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_364	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_364	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_364	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_364	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_364	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_364	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_364	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_364	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_364	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_364	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_364	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_364	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_364	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_364	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_364	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_364	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_364	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_364	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_364	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_364	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_364	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_364	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_364	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_364	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_364	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_364	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_364	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_365	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_365	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_365	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_365	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_365	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_365	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_365	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_365	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_365	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_365	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_365	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_365	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_365	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_365	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_365	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_365	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_365	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_365	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_365	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_365	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_365	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_365	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_365	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_365	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_365	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_365	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_365	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_365	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_365	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_365	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_365	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_365	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_365	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_365	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_365	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_365	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_365	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_365	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_365	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_365	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_365	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_365	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_365	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_365	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_365	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_365	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_365	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_365	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_365	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_365	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_365	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_365	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_365	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_365	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_365	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_365	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_365	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_365	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_365	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_365	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_365	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_365	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_365	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_365	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_365	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_365	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_365	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_365	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_365	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_365	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_365	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_365	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_365	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_365	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_365	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_366	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_366	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_366	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_366	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_366	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_366	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_366	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_366	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_366	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_366	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_366	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_366	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_366	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_366	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_366	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_366	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_366	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_366	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_366	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_366	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_366	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_366	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_366	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_366	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_366	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_366	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_366	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_366	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_366	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_366	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_366	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_366	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_366	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_366	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_366	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_366	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_366	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_366	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_366	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_366	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_366	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_366	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_366	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_366	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_366	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_366	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_366	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_366	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_366	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_366	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_366	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_366	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_366	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_366	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_366	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_366	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_366	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_366	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_366	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_366	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_366	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_366	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_366	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_366	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_366	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_366	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_366	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_366	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_366	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_366	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_366	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_366	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_366	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_366	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_366	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_366	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_366	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_366	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_366	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_366	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_366	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_366	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_366	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_366	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_366	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_366	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_366	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_366	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_366	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_366	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_366	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_366	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_366	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_366	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_366	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_366	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_366	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_366	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_366	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_366	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_366	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_366	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_366	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_366	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_366	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_366	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_366	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_366	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_366	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_366	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_366	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_366	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_367	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_367	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_367	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_367	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_367	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_367	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_367	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_367	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_367	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_367	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_367	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_367	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_367	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_367	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_368	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_368	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_368	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_368	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_368	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_375	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_375	c1(nc[nH]n1)N	C61825
PUBCHEM_375	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_375	NC(=N)NC#N	C461585
PUBCHEM_375	S=C(NCC)NCC	C105555
PUBCHEM_375	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_375	CN(C(=O)N)N=O	C684935
PUBCHEM_375	NC(=S)N	C62566
PUBCHEM_375	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_375	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_375	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_375	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_375	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_375	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_375	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_375	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_375	O=C(N)N=NC(=O)N	C123773
PUBCHEM_375	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_375	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_375	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_375	OCNC(=O)NCO	C140954
PUBCHEM_375	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_375	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_375	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_375	NNC(=S)NN	C2231574
PUBCHEM_375	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_375	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_375	n1c[nH]cc1	C288324
PUBCHEM_375	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_375	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_375	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_375	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_375	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_375	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_375	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_375	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_375	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_375	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_375	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_375	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_375	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_375	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_375	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_375	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_375	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_375	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_375	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_375	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_375	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_375	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_375	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_375	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_375	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_375	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_375	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_375	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_375	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_375	S=C(NC)NC	C534134
PUBCHEM_375	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_375	O=C(N)Nc1ccccc1	C64108
PUBCHEM_375	NNC(=S)NC	C6610293
PUBCHEM_375	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_375	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_375	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_375	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_375	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_375	S=C1NCCN1	C96457
PUBCHEM_375	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_375	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_375	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_375	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_375	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_375	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_375	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_375	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_375	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_375	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_375	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_375	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_375	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_375	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_375	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_375	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_375	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_375	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_375	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_375	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_375	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_375	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_375	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_375	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_375	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_375	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_375	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_375	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_375	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_375	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_375	CN1CN(C)CSC1=S	C533744
PUBCHEM_375	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_375	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_375	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_375	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_375	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_375	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_375	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_375	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_375	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_375	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_375	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_375	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_375	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_375	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_375	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_375	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_375	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_375	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_375	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_375	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_375	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_375	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_375	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_375	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_375	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_375	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_375	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_375	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_375	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_375	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_375	N#CN	C420042
PUBCHEM_375	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_375	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_375	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_375	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_375	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_375	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_375	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_375	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_375	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_375	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_375	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_375	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_375	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_375	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_375	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_375	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_375	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_375	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_375	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_375	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_375	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_375	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_375	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_375	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_375	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_375	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_375	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_375	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_375	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_375	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_375	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_375	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_375	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_375	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_375	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_375	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_375	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_375	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_375	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_375	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_375	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_375	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_375	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_375	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_375	C(=O)(N)N	C57136
PUBCHEM_375	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_375	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_375	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_375	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_375	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_375	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_375	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_375	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_375	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_375	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_375	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_375	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_375	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_375	C(=O)(N)NO	C127071
PUBCHEM_375	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_375	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_375	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_375	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_375	[nH]1ncnc1	C288880
PUBCHEM_375	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_375	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_375	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_375	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_375	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_375	Nn1cnnc1	C584134
PUBCHEM_375	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_375	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_375	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_375	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_375	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_375	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_375	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_375	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_375	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_375	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_375	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_375	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_375	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_375	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_375	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_375	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_375	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_375	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_375	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_375	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_375	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_375	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_375	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_375	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_375	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_375	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_375	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_375	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_375	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_375	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_375	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_375	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_375	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_375	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_375	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_375	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_375	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_375	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_375	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_375	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_375	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_375	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_375	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_375	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_375	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_375	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_375	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_375	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_375	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_375	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_375	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_375	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_375	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_375	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_375	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_375	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_375	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_375	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_375	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_375	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_375	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_375	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_375	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_375	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_375	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_375	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_375	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_375	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_375	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_375	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_375	S=C(NCCCC)NCCCC	C109466
PUBCHEM_375	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_375	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_375	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_375	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_375	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_375	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_375	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_375	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_375	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_375	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_375	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_375	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_375	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_375	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_375	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_375	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_375	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_375	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_375	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_375	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_375	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_375	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_375	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_375	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_375	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_375	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_375	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_375	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_375	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_375	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_375	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_375	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_375	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_375	Nc1cccc(C)n1	C1824813
PUBCHEM_375	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_375	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_375	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_375	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_376	Nc1ccccc1.Cl	C142041
PUBCHEM_376	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_376	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_376	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_376	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_376	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_376	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_376	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_376	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_376	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_376	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_376	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_376	c1cccc2[nH]ccc12	C120729
PUBCHEM_376	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_376	NC(=O)c1cccnc1	C98920
PUBCHEM_376	OC(=O)c1cccnc1	C59676
PUBCHEM_376	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_376	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_376	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_376	Nc1ccc(cc1)N	C106503
PUBCHEM_376	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_376	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_376	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_376	Nc1ccccc1C.Cl	C636215
PUBCHEM_376	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_376	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_376	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_376	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_376	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_376	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_376	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_376	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_376	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_376	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_376	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_376	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_376	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_376	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_376	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_376	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_376	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_376	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_376	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_376	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_376	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_376	c1ccc2ncsc2c1	C95169
PUBCHEM_376	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_376	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_376	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_376	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_376	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_376	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_376	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_376	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_376	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_376	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_376	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_376	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_376	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_376	Nc1cccc(C)c1C	C1300738
PUBCHEM_376	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_376	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_376	Nc1c(C)cccc1CC	C24549062
PUBCHEM_376	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_376	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_376	n1c[nH]cc1	C288324
PUBCHEM_376	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_376	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_376	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_376	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_376	OCn1nc(C)cc1C	C85264331
PUBCHEM_376	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_376	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_376	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_376	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_376	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_376	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_376	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_376	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_376	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_376	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_376	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_376	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_376	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_376	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_376	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_376	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_376	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_376	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_376	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_376	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_376	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_376	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_376	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_376	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_376	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_376	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_376	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_376	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_376	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_376	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_376	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_376	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_376	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_376	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_376	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_376	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_376	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_376	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_376	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_376	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_376	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_376	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_376	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_376	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_376	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_376	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_376	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_376	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_376	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_376	O=C(N)Nc1ccccc1	C64108
PUBCHEM_376	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_376	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_376	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_376	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_376	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_376	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_376	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_376	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_376	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_376	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_376	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_376	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_376	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_376	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_376	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_376	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_376	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_376	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_376	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_376	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_376	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_376	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_376	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_376	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_376	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_376	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_376	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_376	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_376	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_376	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_376	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_376	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_376	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_376	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_376	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_376	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_376	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_376	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_376	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_376	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_376	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_376	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_376	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_376	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_376	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_376	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_376	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_376	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_376	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_376	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_376	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_376	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_376	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_376	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_376	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_376	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_376	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_376	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_376	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_376	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_376	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_376	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_376	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_376	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_376	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_376	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_376	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_376	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_376	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_376	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_376	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_376	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_376	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_376	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_376	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_376	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_376	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_376	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_376	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_376	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_376	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_376	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_376	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_376	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_376	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_376	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_376	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_376	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_376	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_376	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_376	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_376	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_376	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_376	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_376	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_376	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_376	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_376	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_376	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_376	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_376	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_376	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_376	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_376	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_376	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_376	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_376	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_376	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_376	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_376	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_376	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_376	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_376	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_376	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_376	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_376	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_376	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_376	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_376	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_376	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_376	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_376	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_376	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_376	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_376	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_376	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_376	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_376	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_376	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_376	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_376	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_376	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_376	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_376	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_376	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_376	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_376	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_376	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_376	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_376	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_376	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_376	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_376	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_376	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_376	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_376	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_376	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_376	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_376	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_376	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_376	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_376	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_376	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_376	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_376	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_376	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_376	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_376	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_376	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_376	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_376	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_376	Nc1ccc(cc1)Cl	C106478
PUBCHEM_376	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_376	Nc1cc(ccc1OC)C	C120718
PUBCHEM_376	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_376	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_376	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_376	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_376	CN(c1ccccc1)C	C121697
PUBCHEM_376	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_376	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_376	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_376	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_376	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_376	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_376	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_376	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_376	Oc1cccc2cccnc12	C148243
PUBCHEM_376	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_376	O=C(c1ccncc1)NN	C54853
PUBCHEM_376	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_376	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_376	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_376	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_376	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_376	Cc1cc2cccnc2cc1	C91623
PUBCHEM_376	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_376	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_376	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_376	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_376	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_376	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_376	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_376	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_376	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_376	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_376	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_376	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_376	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_376	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_376	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_376	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_376	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_376	Nc1cc(ccc1)N	C108452
PUBCHEM_376	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_376	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_376	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_376	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_376	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_376	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_376	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_376	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_376	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_376	n1cccc2c1cccc2	C91225
PUBCHEM_376	CCN(CC)c1ccccc1	C91667
PUBCHEM_376	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_376	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_376	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_376	CCNc1cc(C)ccc1	C102272
PUBCHEM_376	Nc1ccc(C)cc1	C106490
PUBCHEM_376	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_376	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_376	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_376	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_376	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_376	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_376	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_376	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_376	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_376	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_376	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_376	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_376	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_376	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_376	Nc1c(OC)cccc1	C90040
PUBCHEM_376	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_376	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_376	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_376	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_376	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_376	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_376	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_376	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_376	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_376	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_376	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_376	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_376	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_376	Nc1cc(C)ccc1N	C496720
PUBCHEM_376	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_376	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_376	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_376	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_376	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_376	N(c1ccccc1)CC	C103695
PUBCHEM_376	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_376	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_376	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_376	Nc1c(N)cccc1	C95545
PUBCHEM_376	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_376	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_376	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_376	Nc1c(cccc1)C	C95534
PUBCHEM_376	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_376	Nc1c(cccc1C)C	C87627
PUBCHEM_376	N#Cc1cnccc1	C100549
PUBCHEM_376	Nc1cccc(C)c1	C108441
PUBCHEM_376	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_376	Nc1c(CC)cccc1CC	C579668
PUBCHEM_376	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_376	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_376	Nc1cccc(C)c1N	C2687254
PUBCHEM_376	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_376	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_376	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_376	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_376	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_376	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_376	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_376	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_376	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_376	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_376	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_376	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_376	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_376	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_376	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_376	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_376	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_376	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_376	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_376	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_376	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_376	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_376	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_376	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_376	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_376	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_376	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_376	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_376	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_376	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_376	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_376	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_376	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_376	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_376	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_376	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_376	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_376	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_376	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_376	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_376	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_376	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_376	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_376	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_376	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_376	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_376	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_376	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_376	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_376	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_376	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_376	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_376	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_376	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_376	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_376	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_376	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_376	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_376	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_376	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_376	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_376	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_376	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_376	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_376	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_376	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_376	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_376	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_376	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_376	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_376	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_376	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_376	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_376	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_376	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_376	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_376	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_376	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_376	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_376	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_376	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_376	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_376	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_376	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_376	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_376	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_376	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_376	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_376	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_376	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_376	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_376	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_376	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_376	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_376	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_376	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_376	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_376	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_376	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_376	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_376	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_376	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_376	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_376	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_376	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_376	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_376	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_376	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_376	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_376	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_376	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_376	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_376	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_376	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_376	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_376	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_376	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_376	n1cc(C)ccc1	C108996
PUBCHEM_376	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_376	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_376	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_376	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_376	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_376	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_376	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_376	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_376	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_376	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_376	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_376	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_376	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_376	NNc1ccccc1.Cl	C59881
PUBCHEM_376	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_376	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_376	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_376	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_376	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_376	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_376	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_376	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_376	Nc1ccc(Br)cc1	C106401
PUBCHEM_376	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_376	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_376	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_376	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_376	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_376	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_376	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_376	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_376	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_376	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_376	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_376	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_376	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_376	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_376	Nc1ccc(OC)cc1	C104949
PUBCHEM_376	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_376	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_376	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_376	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_376	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_376	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_376	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_376	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_376	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_376	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_376	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_376	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_376	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_376	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_376	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_376	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_376	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_376	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_376	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_376	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_376	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_376	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_376	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_376	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_376	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_376	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_376	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_376	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_376	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_376	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_376	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_376	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_376	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_376	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_376	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_376	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_376	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_376	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_376	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_376	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_376	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_376	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_376	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_376	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_376	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_376	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_376	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_376	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_376	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_376	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_376	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_376	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_376	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_376	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_376	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_376	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_376	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_376	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_376	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_376	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_376	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_376	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_376	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_376	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_376	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_376	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_376	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_376	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_376	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_376	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_376	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_376	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_376	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_376	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_376	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_376	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_376	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_376	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_376	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_376	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_376	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_376	Nc1cccc(C)n1	C1824813
PUBCHEM_376	CC1COc2ccccc2N1	C32329207
PUBCHEM_376	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_376	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_376	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_376	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_376	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_376	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_376	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_376	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_376	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_376	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_376	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_376	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_377	Nc1ccccc1.Cl	C142041
PUBCHEM_377	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_377	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_377	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_377	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_377	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_377	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_377	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_377	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_377	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_377	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_377	c1cccc2[nH]ccc12	C120729
PUBCHEM_377	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_377	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_377	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_377	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_377	Nc1ccc(cc1)N	C106503
PUBCHEM_377	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_377	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_377	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_377	Nc1ccccc1C.Cl	C636215
PUBCHEM_377	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_377	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_377	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_377	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_377	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_377	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_377	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_377	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_377	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_377	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_377	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_377	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_377	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_377	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_377	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_377	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_377	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_377	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_377	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_377	c1ccc2ncsc2c1	C95169
PUBCHEM_377	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_377	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_377	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_377	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_377	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_377	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_377	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_377	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_377	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_377	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_377	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_377	Nc1cccc(C)c1C	C1300738
PUBCHEM_377	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_377	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_377	Nc1c(C)cccc1CC	C24549062
PUBCHEM_377	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_377	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_377	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_377	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_377	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_377	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_377	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_377	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_377	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_377	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_377	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_377	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_377	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_377	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_377	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_377	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_377	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_377	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_377	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_377	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_377	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_377	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_377	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_377	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_377	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_377	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_377	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_377	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_377	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_377	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_377	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_377	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_377	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_377	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_377	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_377	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_377	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_377	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_377	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_377	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_377	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_377	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_377	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_377	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_377	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_377	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_377	O=C(N)Nc1ccccc1	C64108
PUBCHEM_377	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_377	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_377	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_377	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_377	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_377	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_377	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_377	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_377	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_377	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_377	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_377	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_377	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_377	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_377	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_377	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_377	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_377	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_377	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_377	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_377	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_377	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_377	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_377	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_377	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_377	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_377	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_377	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_377	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_377	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_377	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_377	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_377	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_377	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_377	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_377	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_377	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_377	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_377	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_377	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_377	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_377	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_377	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_377	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_377	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_377	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_377	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_377	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_377	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_377	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_377	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_377	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_377	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_377	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_377	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_377	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_377	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_377	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_377	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_377	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_377	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_377	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_377	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_377	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_377	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_377	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_377	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_377	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_377	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_377	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_377	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_377	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_377	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_377	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_377	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_377	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_377	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_377	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_377	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_377	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_377	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_377	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_377	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_377	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_377	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_377	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_377	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_377	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_377	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_377	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_377	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_377	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_377	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_377	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_377	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_377	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_377	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_377	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_377	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_377	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_377	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_377	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_377	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_377	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_377	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_377	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_377	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_377	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_377	Nc1ccc(cc1)Cl	C106478
PUBCHEM_377	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_377	Nc1cc(ccc1OC)C	C120718
PUBCHEM_377	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_377	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_377	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_377	CN(c1ccccc1)C	C121697
PUBCHEM_377	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_377	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_377	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_377	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_377	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_377	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_377	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_377	Oc1cccc2cccnc12	C148243
PUBCHEM_377	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_377	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_377	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_377	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_377	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_377	Cc1cc2cccnc2cc1	C91623
PUBCHEM_377	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_377	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_377	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_377	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_377	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_377	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_377	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_377	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_377	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_377	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_377	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_377	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_377	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_377	Nc1cc(ccc1)N	C108452
PUBCHEM_377	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_377	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_377	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_377	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_377	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_377	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_377	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_377	n1cccc2c1cccc2	C91225
PUBCHEM_377	CCN(CC)c1ccccc1	C91667
PUBCHEM_377	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_377	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_377	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_377	CCNc1cc(C)ccc1	C102272
PUBCHEM_377	Nc1ccc(C)cc1	C106490
PUBCHEM_377	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_377	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_377	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_377	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_377	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_377	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_377	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_377	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_377	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_377	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_377	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_377	Nc1c(OC)cccc1	C90040
PUBCHEM_377	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_377	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_377	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_377	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_377	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_377	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_377	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_377	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_377	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_377	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_377	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_377	Nc1cc(C)ccc1N	C496720
PUBCHEM_377	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_377	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_377	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_377	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_377	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_377	N(c1ccccc1)CC	C103695
PUBCHEM_377	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_377	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_377	Nc1c(N)cccc1	C95545
PUBCHEM_377	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_377	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_377	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_377	Nc1c(cccc1)C	C95534
PUBCHEM_377	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_377	Nc1c(cccc1C)C	C87627
PUBCHEM_377	Nc1cccc(C)c1	C108441
PUBCHEM_377	Nc1c(CC)cccc1CC	C579668
PUBCHEM_377	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_377	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_377	Nc1cccc(C)c1N	C2687254
PUBCHEM_377	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_377	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_377	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_377	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_377	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_377	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_377	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_377	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_377	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_377	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_377	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_377	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_377	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_377	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_377	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_377	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_377	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_377	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_377	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_377	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_377	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_377	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_377	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_377	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_377	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_377	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_377	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_377	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_377	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_377	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_377	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_377	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_377	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_377	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_377	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_377	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_377	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_377	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_377	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_377	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_377	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_377	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_377	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_377	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_377	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_377	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_377	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_377	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_377	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_377	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_377	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_377	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_377	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_377	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_377	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_377	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_377	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_377	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_377	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_377	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_377	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_377	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_377	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_377	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_377	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_377	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_377	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_377	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_377	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_377	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_377	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_377	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_377	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_377	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_377	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_377	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_377	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_377	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_377	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_377	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_377	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_377	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_377	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_377	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_377	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_377	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_377	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_377	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_377	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_377	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_377	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_377	NNc1ccccc1.Cl	C59881
PUBCHEM_377	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_377	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_377	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_377	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_377	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_377	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_377	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_377	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_377	Nc1ccc(Br)cc1	C106401
PUBCHEM_377	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_377	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_377	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_377	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_377	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_377	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_377	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_377	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_377	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_377	Nc1ccc(OC)cc1	C104949
PUBCHEM_377	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_377	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_377	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_377	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_377	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_377	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_377	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_377	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_377	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_377	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_377	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_377	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_377	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_377	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_377	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_377	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_377	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_377	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_377	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_377	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_377	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_377	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_377	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_377	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_377	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_377	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_377	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_377	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_377	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_377	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_377	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_377	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_377	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_377	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_377	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_377	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_377	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_377	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_377	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_377	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_377	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_377	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_377	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_377	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_377	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_377	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_377	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_377	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_377	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_377	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_377	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_377	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_377	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_377	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_377	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_377	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_377	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_377	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_377	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_377	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_377	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_377	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_377	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_377	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_377	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_377	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_377	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_377	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_377	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_377	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_377	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_377	CC1COc2ccccc2N1	C32329207
PUBCHEM_377	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_377	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_377	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_377	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_377	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_377	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_377	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_377	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_377	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_378	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_378	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_378	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_378	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_378	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_378	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_378	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_378	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_378	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_378	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_378	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_378	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_378	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_378	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_378	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_378	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_378	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_378	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_378	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_378	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_378	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_378	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_378	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_378	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_378	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_378	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_378	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_378	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_378	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_378	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_378	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_378	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_378	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_378	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_378	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_378	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_378	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_378	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_378	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_378	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_378	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_378	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_378	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_378	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_378	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_378	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_378	Nc1cccc(C)n1	C1824813
PUBCHEM_378	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_379	c1(nc[nH]n1)N	C61825
PUBCHEM_379	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_379	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_379	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_379	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_379	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_379	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_379	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_379	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_379	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_379	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_379	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_379	n1c[nH]cc1	C288324
PUBCHEM_379	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_379	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_379	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_379	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_379	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_379	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_379	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_379	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_379	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_379	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_379	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_379	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_379	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_379	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_379	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_379	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_379	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_379	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_379	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_379	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_379	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_379	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_379	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_379	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_379	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_379	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_379	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_379	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_379	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_379	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_379	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_379	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_379	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_379	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_379	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_379	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_379	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_379	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_379	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_379	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_379	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_379	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_379	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_379	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_379	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_379	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_379	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_379	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_379	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_379	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_379	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_379	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_379	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_379	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_379	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_379	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_379	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_379	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_379	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_379	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_379	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_379	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_379	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_379	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_379	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_379	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_379	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_379	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_379	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_379	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_379	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_379	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_379	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_379	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_379	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_379	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_379	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_379	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_379	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_379	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_379	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_379	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_379	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_379	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_379	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_379	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_379	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_379	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_379	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_379	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_379	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_379	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_379	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_379	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_379	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_379	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_379	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_379	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_379	[nH]1ncnc1	C288880
PUBCHEM_379	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_379	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_379	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_379	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_379	Nn1cnnc1	C584134
PUBCHEM_379	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_379	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_379	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_379	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_379	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_379	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_379	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_379	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_379	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_379	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_379	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_379	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_379	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_379	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_379	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_379	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_379	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_379	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_379	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_379	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_379	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_379	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_379	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_379	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_379	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_379	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_379	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_379	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_379	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_379	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_379	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_379	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_379	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_379	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_379	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_379	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_379	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_379	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_379	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_379	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_379	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_379	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_379	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_379	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_379	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_379	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_379	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_379	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_379	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_379	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_379	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_379	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_379	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_379	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_379	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_379	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_379	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_379	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_379	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_379	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_379	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_379	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_379	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_379	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_379	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_379	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_379	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_379	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_379	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_379	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_379	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_379	Nc1cccc(C)n1	C1824813
PUBCHEM_379	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_379	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_379	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_380	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_380	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_380	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_380	CC(=O)OCc1ccccc1	C140114
PUBCHEM_380	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_380	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_380	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_380	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_380	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_380	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_380	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_380	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_380	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_380	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_380	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_380	NC(=O)OC	C598550
PUBCHEM_380	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_380	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_380	OC(=O)c1cccnc1	C59676
PUBCHEM_380	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_380	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_380	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_380	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_380	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_380	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_380	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_380	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_380	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_380	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_380	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_380	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_380	OC(=O)CCCC	C109524
PUBCHEM_380	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_380	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_380	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_380	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_380	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_380	CCCCCC(=O)OCC	C123660
PUBCHEM_380	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_380	O=C(OC(C)(C)C)C	C540885
PUBCHEM_380	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_380	C=CC(=O)OCCO	C818611
PUBCHEM_380	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_380	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_380	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_380	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_380	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_380	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_380	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_380	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_380	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_380	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_380	C(=O)(O)C(C)O	C50215
PUBCHEM_380	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_380	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_380	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_380	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_380	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_380	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_380	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_380	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_380	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_380	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_380	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_380	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_380	O=C(OCCCC)C=C	C141322
PUBCHEM_380	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_380	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_380	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_380	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_380	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_380	C(=O)(O)CO	C79141
PUBCHEM_380	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_380	O(C(C)C)C(=O)C	C108214
PUBCHEM_380	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_380	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_380	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_380	C(=O)(O)C(=O)O	C144627
PUBCHEM_380	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_380	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_380	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_380	O=C(O)CS	C68111
PUBCHEM_380	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_380	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_380	O=C(O)c1ccccc1O	C69727
PUBCHEM_380	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_380	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_380	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_380	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_380	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_380	O=C1OCC(C)O1	C108327
PUBCHEM_380	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_380	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_380	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_380	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_380	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_380	O=C(C)OCCOCCCC	C112072
PUBCHEM_380	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_380	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_380	O=COC(C)C	C625558
PUBCHEM_380	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_380	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_380	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_380	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_380	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_380	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_380	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_380	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_380	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_380	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_380	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_380	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_380	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_380	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_380	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_380	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_380	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_380	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_380	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_380	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_380	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_380	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_380	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_380	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_380	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_380	OC(OCCCC)CC	C29387868
PUBCHEM_380	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_380	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_380	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_380	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_380	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_380	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_380	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_380	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_380	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_380	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_380	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_380	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_380	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_380	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_380	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_380	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_380	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_380	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_380	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_380	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_380	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_380	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_380	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_380	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_380	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_380	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_380	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_380	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_380	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_380	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_380	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_380	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_380	O=C(CC)OCC	C105373
PUBCHEM_380	O=C1OCC(CC)O1	C4437858
PUBCHEM_380	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_380	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_380	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_380	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_380	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_380	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_380	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_380	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_380	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_380	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_380	O=C1CCC(O1)CC	C695067
PUBCHEM_380	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_380	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_380	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_380	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_380	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_380	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_380	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_380	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_380	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_380	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_380	O=C(CCC)OCCCCC	C540181
PUBCHEM_380	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_380	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_380	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_380	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_380	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_380	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_380	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_380	CCOC(OCC)OCC	C122510
PUBCHEM_380	O=C(CF)O	C144490
PUBCHEM_380	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_380	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_380	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_380	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_380	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_380	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_380	OC(C)C(=O)OCCCC	C138227
PUBCHEM_380	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_380	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_380	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_380	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_380	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_380	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_380	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_380	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_380	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_380	O=C(C)OCCCCCCCC	C112141
PUBCHEM_380	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_380	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_380	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_380	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_380	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_380	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_380	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_380	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_380	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_380	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_380	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_380	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_380	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_380	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_380	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_380	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_380	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_380	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_380	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_380	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_380	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_380	O=C1OC(CCC)CC1	C105215
PUBCHEM_380	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_380	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_380	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_380	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_380	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_380	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_380	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_380	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_380	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_380	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_380	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_380	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_380	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_380	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_380	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_380	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_380	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_380	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_380	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_380	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_380	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_380	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_380	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_380	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_380	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_380	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_380	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_380	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_380	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_380	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_380	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_380	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_380	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_380	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_380	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_380	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_380	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_380	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_380	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_380	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_380	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_380	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_380	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_380	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_380	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_380	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_380	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_380	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_380	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_380	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_380	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_380	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_380	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_380	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_380	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_380	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_380	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_380	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_380	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_380	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_380	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_380	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_380	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_380	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_380	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_380	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_380	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_380	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_380	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_380	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_380	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_380	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_380	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_380	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_380	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_380	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_380	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_380	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_380	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_380	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_380	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_380	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_380	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_380	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_380	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_380	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_380	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_380	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_380	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_380	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_380	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_380	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_380	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_380	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_380	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_380	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_380	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_380	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_380	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_380	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_380	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_380	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_380	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_380	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_380	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_380	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_380	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_380	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_380	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_380	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_380	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_380	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_380	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_380	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_380	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_380	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_380	OC(=O)c1ccccc1	C65850
PUBCHEM_380	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_380	O=C1CCCO1	C96480
PUBCHEM_380	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_380	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_380	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_380	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_380	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_380	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_380	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_380	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_380	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_380	OC(=O)C(Cl)Cl	C79436
PUBCHEM_380	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_380	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_380	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_380	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_380	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_380	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_380	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_380	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_380	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_380	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_380	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_380	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_380	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_380	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_380	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_380	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_380	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_380	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_380	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_380	OC(=O)C=CC=CC	C110441
PUBCHEM_380	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_380	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_380	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_380	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_380	NC(=O)OCC	C51796
PUBCHEM_380	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_380	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_380	OC(=O)CCC	C107926
PUBCHEM_380	CCCCCCCCCC(=O)O	C334485
PUBCHEM_380	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_380	O=C(O)CCCCCC	C111148
PUBCHEM_380	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_380	CCCCCC(=O)O	C142621
PUBCHEM_380	CCCCCCCCC(=O)O	C112050
PUBCHEM_380	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_380	CCCCCCCC(=O)O	C124072
PUBCHEM_380	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_380	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_380	CC(=O)OCCOCC	C111159
PUBCHEM_380	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_380	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_380	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_380	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_380	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_380	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_380	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_380	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_380	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_380	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_380	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_380	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_380	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_380	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_380	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_380	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_380	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_380	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_380	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_380	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_380	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_380	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_380	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_380	O=C(O)C(CCCC)CC	C149575
PUBCHEM_380	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_380	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_380	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_380	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_380	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_380	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_380	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_380	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_380	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_380	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_380	O=C(OC)CCCCCCC	C111115
PUBCHEM_380	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_380	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_380	O=C(C)OCCCCC	C628637
PUBCHEM_380	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_380	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_380	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_380	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_380	OC(OC(O)CC)CC	C25265718
PUBCHEM_380	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_380	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_380	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_380	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_380	OC(OCCCOC)CC	C34590948
PUBCHEM_380	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_380	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_380	O=C(OC)CC(=O)OC	C108598
PUBCHEM_380	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_380	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_380	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_380	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_380	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_380	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_380	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_380	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_380	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_380	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_380	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_380	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_380	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_380	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_380	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_380	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_380	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_380	O=C(CCC)OCC	C105544
PUBCHEM_380	O=C(OCC)CCCCCC	C106309
PUBCHEM_380	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_380	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_380	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_380	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_380	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_380	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_380	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_380	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_380	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_380	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_380	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_380	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_380	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_380	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_380	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_380	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_380	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_380	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_380	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_380	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_380	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_380	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_380	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_380	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_380	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_380	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_380	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_380	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_380	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_380	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_380	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_380	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_380	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_380	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_380	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_380	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_380	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_380	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_380	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_380	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_380	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_380	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_380	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_380	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_380	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_380	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_380	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_380	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_380	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_380	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_380	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_380	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_380	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_380	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_380	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_380	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_380	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_380	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_380	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_380	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_380	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_380	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_380	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_380	C(=O)(C)O	C64197
PUBCHEM_380	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_380	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_380	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_380	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_380	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_380	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_380	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_380	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_380	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_380	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_380	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_380	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_380	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_380	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_380	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_380	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_380	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_380	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_380	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_380	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_380	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_380	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_380	O=COCC	C109944
PUBCHEM_380	O=C(OCC)c1ccccc1	C93890
PUBCHEM_380	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_380	CC(=O)OCC	C141786
PUBCHEM_380	CC(=O)OCCCC	C123864
PUBCHEM_380	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_380	CC1CC(=O)O1	C3068880
PUBCHEM_380	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_380	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_380	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_380	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_380	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_380	CC(=O)C(=O)O	C127173
PUBCHEM_380	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_380	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_380	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_380	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_380	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_380	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_380	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_380	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_380	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_380	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_380	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_380	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_380	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_380	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_380	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_380	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_380	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_380	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_380	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_380	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_380	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_380	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_380	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_380	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_380	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_380	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_380	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_380	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_380	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_380	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_380	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_380	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_380	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_380	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_380	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_380	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_380	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_380	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_380	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_380	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_380	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_380	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_380	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_380	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_380	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_380	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_380	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_380	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_380	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_380	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_380	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_380	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_380	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_380	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_380	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_380	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_380	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_380	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_380	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_380	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_380	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_380	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_380	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_380	O=C(OCCCCO)C=C	C2478106
PUBCHEM_380	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_380	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_380	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_380	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_380	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_380	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_380	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_380	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_380	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_380	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_380	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_380	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_380	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_380	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_380	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_380	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_380	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_380	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_380	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_380	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_380	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_380	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_380	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_380	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_380	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_380	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_380	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_380	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_381	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_381	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_381	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_381	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_381	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_381	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_381	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_381	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_381	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_381	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_381	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_381	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_381	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_381	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_381	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_381	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_381	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_381	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_381	COc1ccc(cc1)O	C150765
PUBCHEM_381	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_381	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_381	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_381	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_381	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_381	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_381	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_381	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_381	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_381	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_381	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_381	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_381	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_381	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_381	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_381	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_381	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_381	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_381	O=Cc1ccccc1O	C90028
PUBCHEM_381	Oc1cccc2ccccc12	C90153
PUBCHEM_381	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_381	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_381	Oc1ccc(Cl)cc1	C106489
PUBCHEM_381	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_381	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_381	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_381	Oc1ccc(CC)cc1	C123079
PUBCHEM_381	COc1ccc(OC)cc1	C150787
PUBCHEM_381	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_381	Oc1ccc(CCC)cc1	C645567
PUBCHEM_381	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_381	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_381	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_381	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_381	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_381	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_381	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_381	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_381	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_381	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_381	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_381	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_381	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_381	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_381	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_381	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_381	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_381	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_381	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_381	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_381	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_381	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_381	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_381	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_381	c1(c(CC)cccc1)O	C90006
PUBCHEM_381	c1c(O)cccc1CC	C620177
PUBCHEM_381	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_381	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_381	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_381	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_381	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_381	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_381	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_381	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_381	c1cccc(OC)c1O	C90051
PUBCHEM_381	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_381	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_381	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_381	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_381	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_381	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_381	Cc1cc(O)ccc1	C108394
PUBCHEM_381	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_381	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_381	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_381	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_381	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_381	Cc1c(C)cccc1O	C526750
PUBCHEM_381	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_381	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_381	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_381	c1c(CO)occ1	C98000
PUBCHEM_381	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_381	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_381	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_381	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_381	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_381	O=C(O)c1ccccc1O	C69727
PUBCHEM_381	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_381	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_381	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_381	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_381	Oc1ccc2ccccc2c1	C135193
PUBCHEM_381	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_381	OC(C)COc1ccccc1	C770354
PUBCHEM_381	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_381	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_381	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_381	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_381	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_381	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_381	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_381	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_381	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_381	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_381	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_381	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_381	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_381	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_381	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_381	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_381	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_381	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_381	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_381	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_381	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_381	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_381	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_381	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_381	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_381	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_381	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_381	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_381	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_381	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_381	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_381	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_381	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_381	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_381	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_381	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_381	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_381	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_381	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_381	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_381	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_381	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_381	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_381	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_381	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_381	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_381	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_381	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_381	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_381	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_381	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_381	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_381	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_381	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_381	O=C(c1ccccc1O)C	C118934
PUBCHEM_381	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_381	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_381	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_381	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_381	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_381	Oc1ccccc1CN(C)C	C120650
PUBCHEM_381	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_381	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_381	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_381	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_381	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_381	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_381	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_381	N#Cc1c(O)cccc1	C611201
PUBCHEM_381	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_381	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_381	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_381	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_381	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_381	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_381	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_381	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_381	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_381	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_381	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_381	Oc1c(OCC)cccc1	C94713
PUBCHEM_381	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_381	COc1ccc(CCC)cc1	C104450
PUBCHEM_381	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_381	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_381	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_381	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_381	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_381	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_381	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_381	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_381	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_381	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_381	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_381	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_381	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_381	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_381	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_381	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_381	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_381	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_381	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_381	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_381	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_381	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_381	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_381	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_381	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_381	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_381	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_381	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_381	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_381	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_381	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_381	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_381	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_381	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_381	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_381	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_381	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_381	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_381	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_381	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_381	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_381	c1ccccc1OCCO	C122996
PUBCHEM_381	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_381	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_381	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_381	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_381	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_381	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_381	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_381	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_381	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_381	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_381	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_381	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_381	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_381	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_381	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_381	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_381	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_381	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_381	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_381	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_381	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_381	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_381	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_381	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_381	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_381	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_381	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_381	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_381	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_381	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_381	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_381	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_381	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_381	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_381	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_381	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_381	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_381	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_381	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_381	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_381	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_381	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_381	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_381	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_381	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_381	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_381	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_381	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_381	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_381	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_381	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_381	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_381	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_381	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_381	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_381	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_381	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_381	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_381	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_381	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_381	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_381	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_381	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_381	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_381	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_381	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_381	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_381	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_381	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_381	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_381	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_381	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_381	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_381	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_381	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_381	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_381	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_381	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_381	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_381	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_381	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_381	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_381	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_381	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_381	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_381	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_381	c1coc2c1cccc2	C271896
PUBCHEM_381	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_381	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_381	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_381	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_381	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_381	Oc1c(cccc1)O	C120809
PUBCHEM_381	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_381	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_381	Nc1cc(ccc1OC)C	C120718
PUBCHEM_381	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_381	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_381	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_381	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_381	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_381	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_381	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_381	O=Cc1ccco1	C98011
PUBCHEM_381	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_381	Oc1ccc(cc1)O	C123319
PUBCHEM_381	Oc1cccc2cccnc12	C148243
PUBCHEM_381	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_381	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_381	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_381	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_381	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_381	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_381	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_381	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_381	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_381	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_381	Oc1ccccc1	C108952
PUBCHEM_381	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_381	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_381	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_381	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_381	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_381	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_381	Oc1cc(ccc1)O	C108463
PUBCHEM_381	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_381	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_381	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_381	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_381	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_381	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_381	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_381	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_381	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_381	Oc1ccccc1Cl	C95578
PUBCHEM_381	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_381	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_381	Oc1c(C)cccc1	C95487
PUBCHEM_381	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_381	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_381	Oc1ccc(C)cc1	C106445
PUBCHEM_381	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_381	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_381	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_381	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_381	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_381	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_381	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_381	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_381	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_381	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_381	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_381	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_381	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_381	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_381	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_381	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_381	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_381	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_381	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_381	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_381	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_381	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_381	Nc1c(OC)cccc1	C90040
PUBCHEM_381	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_381	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_381	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_381	Oc1c(cccc1C)C	C576261
PUBCHEM_381	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_381	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_381	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_381	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_381	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_381	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_381	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_381	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_381	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_381	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_381	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_381	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_381	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_381	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_381	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_381	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_381	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_381	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_381	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_381	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_381	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_381	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_381	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_381	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_381	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_381	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_381	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_381	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_381	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_381	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_381	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_381	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_381	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_381	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_381	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_381	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_381	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_381	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_381	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_381	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_381	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_381	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_381	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_381	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_381	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_381	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_381	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_381	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_381	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_381	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_381	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_381	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_381	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_381	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_381	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_381	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_381	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_381	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_381	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_381	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_381	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_381	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_381	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_381	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_381	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_381	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_381	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_381	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_381	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_381	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_381	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_381	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_381	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_381	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_381	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_381	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_381	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_381	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_381	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_381	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_381	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_381	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_381	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_381	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_381	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_381	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_381	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_381	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_381	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_381	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_381	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_381	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_381	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_381	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_381	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_381	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_381	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_381	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_381	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_381	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_381	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_381	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_381	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_381	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_381	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_381	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_381	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_381	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_381	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_381	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_381	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_381	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_381	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_381	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_381	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_381	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_381	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_381	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_381	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_381	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_381	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_381	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_381	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_381	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_381	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_381	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_381	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_381	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_381	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_381	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_381	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_381	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_381	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_381	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_381	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_381	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_381	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_381	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_381	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_381	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_381	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_381	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_381	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_381	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_381	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_381	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_381	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_381	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_381	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_381	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_381	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_381	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_381	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_381	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_381	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_381	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_381	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_381	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_381	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_381	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_381	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_381	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_381	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_381	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_381	Nc1ccc(OC)cc1	C104949
PUBCHEM_381	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_381	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_381	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_381	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_381	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_381	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_381	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_381	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_381	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_381	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_381	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_381	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_381	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_381	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_381	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_381	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_381	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_381	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_381	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_381	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_381	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_381	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_381	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_381	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_381	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_381	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_381	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_381	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_381	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_381	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_381	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_381	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_381	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_381	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_381	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_381	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_381	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_381	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_381	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_381	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_381	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_381	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_381	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_381	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_381	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_381	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_381	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_381	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_381	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_381	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_381	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_381	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_381	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_381	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_381	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_381	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_381	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_381	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_381	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_381	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_381	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_381	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_381	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_381	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_381	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_381	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_381	CC1COc2ccccc2N1	C32329207
PUBCHEM_381	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_381	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_381	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_381	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_381	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_381	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_381	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_381	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_381	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_381	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_381	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_381	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_381	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_381	CCCCCc1ccco1	C3777693
PUBCHEM_382	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_382	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_382	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_382	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_382	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_382	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_382	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_382	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_382	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_382	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_382	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_382	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_382	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_382	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_382	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_382	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_382	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_382	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_382	COc1ccc(cc1)O	C150765
PUBCHEM_382	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_382	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_382	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_382	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_382	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_382	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_382	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_382	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_382	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_382	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_382	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_382	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_382	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_382	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_382	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_382	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_382	O=Cc1ccccc1O	C90028
PUBCHEM_382	Oc1cccc2ccccc12	C90153
PUBCHEM_382	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_382	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_382	Oc1ccc(Cl)cc1	C106489
PUBCHEM_382	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_382	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_382	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_382	Oc1ccc(CC)cc1	C123079
PUBCHEM_382	COc1ccc(OC)cc1	C150787
PUBCHEM_382	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_382	Oc1ccc(CCC)cc1	C645567
PUBCHEM_382	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_382	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_382	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_382	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_382	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_382	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_382	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_382	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_382	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_382	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_382	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_382	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_382	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_382	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_382	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_382	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_382	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_382	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_382	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_382	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_382	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_382	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_382	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_382	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_382	c1(c(CC)cccc1)O	C90006
PUBCHEM_382	c1c(O)cccc1CC	C620177
PUBCHEM_382	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_382	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_382	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_382	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_382	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_382	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_382	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_382	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_382	c1cccc(OC)c1O	C90051
PUBCHEM_382	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_382	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_382	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_382	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_382	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_382	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_382	Cc1cc(O)ccc1	C108394
PUBCHEM_382	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_382	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_382	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_382	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_382	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_382	Cc1c(C)cccc1O	C526750
PUBCHEM_382	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_382	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_382	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_382	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_382	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_382	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_382	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_382	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_382	O=C(O)c1ccccc1O	C69727
PUBCHEM_382	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_382	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_382	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_382	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_382	Oc1ccc2ccccc2c1	C135193
PUBCHEM_382	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_382	OC(C)COc1ccccc1	C770354
PUBCHEM_382	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_382	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_382	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_382	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_382	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_382	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_382	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_382	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_382	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_382	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_382	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_382	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_382	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_382	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_382	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_382	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_382	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_382	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_382	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_382	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_382	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_382	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_382	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_382	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_382	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_382	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_382	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_382	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_382	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_382	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_382	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_382	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_382	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_382	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_382	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_382	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_382	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_382	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_382	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_382	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_382	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_382	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_382	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_382	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_382	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_382	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_382	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_382	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_382	O=C(c1ccccc1O)C	C118934
PUBCHEM_382	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_382	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_382	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_382	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_382	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_382	Oc1ccccc1CN(C)C	C120650
PUBCHEM_382	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_382	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_382	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_382	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_382	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_382	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_382	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_382	N#Cc1c(O)cccc1	C611201
PUBCHEM_382	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_382	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_382	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_382	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_382	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_382	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_382	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_382	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_382	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_382	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_382	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_382	Oc1c(OCC)cccc1	C94713
PUBCHEM_382	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_382	COc1ccc(CCC)cc1	C104450
PUBCHEM_382	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_382	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_382	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_382	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_382	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_382	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_382	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_382	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_382	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_382	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_382	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_382	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_382	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_382	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_382	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_382	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_382	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_382	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_382	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_382	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_382	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_382	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_382	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_382	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_382	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_382	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_382	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_382	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_382	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_382	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_382	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_382	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_382	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_382	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_382	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_382	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_382	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_382	c1ccccc1OCCO	C122996
PUBCHEM_382	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_382	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_382	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_382	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_382	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_382	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_382	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_382	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_382	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_382	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_382	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_382	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_382	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_382	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_382	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_382	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_382	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_382	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_382	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_382	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_382	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_382	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_382	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_382	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_382	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_382	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_382	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_382	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_382	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_382	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_382	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_382	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_382	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_382	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_382	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_382	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_382	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_382	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_382	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_382	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_382	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_382	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_382	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_382	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_382	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_382	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_382	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_382	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_382	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_382	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_382	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_382	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_382	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_382	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_382	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_382	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_382	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_382	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_382	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_382	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_382	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_382	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_382	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_382	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_382	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_382	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_382	c1coc2c1cccc2	C271896
PUBCHEM_382	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_382	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_382	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_382	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_382	Oc1c(cccc1)O	C120809
PUBCHEM_382	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_382	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_382	Nc1cc(ccc1OC)C	C120718
PUBCHEM_382	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_382	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_382	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_382	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_382	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_382	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_382	Oc1ccc(cc1)O	C123319
PUBCHEM_382	Oc1cccc2cccnc12	C148243
PUBCHEM_382	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_382	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_382	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_382	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_382	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_382	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_382	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_382	Oc1ccccc1	C108952
PUBCHEM_382	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_382	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_382	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_382	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_382	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_382	Oc1cc(ccc1)O	C108463
PUBCHEM_382	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_382	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_382	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_382	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_382	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_382	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_382	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_382	Oc1ccccc1Cl	C95578
PUBCHEM_382	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_382	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_382	Oc1c(C)cccc1	C95487
PUBCHEM_382	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_382	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_382	Oc1ccc(C)cc1	C106445
PUBCHEM_382	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_382	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_382	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_382	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_382	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_382	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_382	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_382	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_382	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_382	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_382	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_382	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_382	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_382	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_382	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_382	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_382	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_382	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_382	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_382	Nc1c(OC)cccc1	C90040
PUBCHEM_382	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_382	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_382	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_382	Oc1c(cccc1C)C	C576261
PUBCHEM_382	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_382	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_382	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_382	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_382	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_382	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_382	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_382	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_382	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_382	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_382	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_382	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_382	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_382	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_382	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_382	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_382	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_382	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_382	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_382	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_382	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_382	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_382	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_382	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_382	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_382	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_382	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_382	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_382	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_382	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_382	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_382	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_382	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_382	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_382	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_382	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_382	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_382	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_382	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_382	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_382	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_382	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_382	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_382	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_382	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_382	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_382	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_382	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_382	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_382	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_382	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_382	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_382	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_382	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_382	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_382	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_382	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_382	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_382	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_382	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_382	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_382	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_382	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_382	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_382	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_382	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_382	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_382	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_382	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_382	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_382	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_382	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_382	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_382	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_382	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_382	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_382	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_382	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_382	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_382	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_382	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_382	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_382	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_382	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_382	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_382	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_382	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_382	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_382	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_382	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_382	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_382	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_382	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_382	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_382	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_382	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_382	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_382	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_382	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_382	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_382	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_382	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_382	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_382	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_382	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_382	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_382	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_382	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_382	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_382	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_382	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_382	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_382	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_382	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_382	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_382	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_382	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_382	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_382	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_382	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_382	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_382	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_382	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_382	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_382	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_382	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_382	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_382	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_382	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_382	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_382	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_382	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_382	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_382	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_382	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_382	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_382	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_382	Nc1ccc(OC)cc1	C104949
PUBCHEM_382	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_382	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_382	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_382	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_382	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_382	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_382	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_382	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_382	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_382	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_382	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_382	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_382	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_382	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_382	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_382	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_382	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_382	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_382	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_382	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_382	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_382	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_382	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_382	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_382	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_382	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_382	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_382	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_382	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_382	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_382	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_382	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_382	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_382	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_382	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_382	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_382	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_382	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_382	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_382	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_382	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_382	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_382	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_382	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_382	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_382	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_382	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_382	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_382	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_382	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_382	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_382	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_382	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_382	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_382	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_382	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_382	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_382	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_382	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_382	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_382	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_382	CC1COc2ccccc2N1	C32329207
PUBCHEM_382	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_382	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_382	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_382	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_382	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_382	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_382	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_382	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_382	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_382	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_382	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_383	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_383	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_383	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_383	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_383	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_383	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_383	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_383	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_383	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_383	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_383	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_383	c1ccc2ncsc2c1	C95169
PUBCHEM_383	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_383	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_383	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_383	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_383	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_383	Sc1ccccc1	C108985
PUBCHEM_383	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_383	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_383	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_383	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_383	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_383	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_383	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_383	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_383	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_383	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_383	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_383	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_383	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_383	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_383	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_383	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_383	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_383	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_383	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_383	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_383	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_383	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_383	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_383	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_383	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_383	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_383	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_383	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_383	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_383	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_383	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_383	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_383	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_383	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_383	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_383	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_383	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_383	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_383	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_383	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_383	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_383	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_383	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_383	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_383	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_383	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_383	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_383	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_383	Sc1ccc(C)cc1	C106456
PUBCHEM_383	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_383	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_383	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_383	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_383	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_383	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_383	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_383	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_383	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_383	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_383	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_383	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_383	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_383	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_383	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_383	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_383	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_383	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_383	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_383	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_383	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_383	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_383	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_383	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_383	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_383	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_383	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_383	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_383	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_383	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_383	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_383	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_383	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_383	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_383	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_383	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_383	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_383	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_383	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_383	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_383	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_383	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_383	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_383	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_383	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_383	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_383	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_383	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_383	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_383	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_383	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_383	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_383	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_383	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_383	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_383	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_383	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_383	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_383	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_383	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_383	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_383	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_383	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_383	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_383	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_383	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_383	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_383	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_383	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_383	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_383	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_383	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_383	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_383	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_383	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_383	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_383	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_383	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_383	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_383	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_383	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_383	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_383	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_383	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_383	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_383	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_383	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_383	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_383	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_383	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_383	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_383	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_383	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_383	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_383	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_383	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_383	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_383	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_383	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_383	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_383	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_383	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_383	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_383	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_383	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_383	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_383	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_383	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_383	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_383	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_383	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_383	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_383	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_383	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_383	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_383	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_383	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_383	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_383	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_383	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_383	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_383	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_383	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_383	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_383	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_383	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_383	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_384	Nc1ccccc1.Cl	C142041
PUBCHEM_384	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_384	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_384	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_384	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_384	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_384	CC(=O)OCc1ccccc1	C140114
PUBCHEM_384	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_384	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_384	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_384	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_384	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_384	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_384	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_384	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_384	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_384	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_384	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_384	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_384	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_384	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_384	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_384	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_384	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_384	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_384	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_384	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_384	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_384	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_384	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_384	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_384	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_384	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_384	c1cccc2[nH]ccc12	C120729
PUBCHEM_384	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_384	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_384	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_384	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_384	COc1ccc(cc1)O	C150765
PUBCHEM_384	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_384	C=Cc1ccc(cc1)C	C622979
PUBCHEM_384	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_384	NC(=O)c1cccnc1	C98920
PUBCHEM_384	OC(=O)c1cccnc1	C59676
PUBCHEM_384	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_384	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_384	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_384	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_384	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_384	Nc1ccc(cc1)N	C106503
PUBCHEM_384	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_384	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_384	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_384	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_384	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_384	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_384	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_384	Nc1ccccc1C.Cl	C636215
PUBCHEM_384	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_384	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_384	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_384	O=CCc1ccccc1	C122781
PUBCHEM_384	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_384	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_384	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_384	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_384	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_384	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_384	O=Cc1ccccc1O	C90028
PUBCHEM_384	Oc1cccc2ccccc12	C90153
PUBCHEM_384	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_384	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_384	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_384	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_384	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_384	Oc1ccc(Cl)cc1	C106489
PUBCHEM_384	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_384	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_384	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_384	Oc1ccc(CC)cc1	C123079
PUBCHEM_384	COc1ccc(OC)cc1	C150787
PUBCHEM_384	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_384	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_384	Oc1ccc(CCC)cc1	C645567
PUBCHEM_384	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_384	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_384	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_384	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_384	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_384	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_384	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_384	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_384	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_384	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_384	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_384	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_384	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_384	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_384	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_384	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_384	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_384	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_384	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_384	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_384	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_384	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_384	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_384	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_384	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_384	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_384	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_384	c1(c(CC)cccc1)O	C90006
PUBCHEM_384	c1c(O)cccc1CC	C620177
PUBCHEM_384	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_384	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_384	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_384	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_384	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_384	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_384	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_384	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_384	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_384	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_384	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_384	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_384	c1cccc(OC)c1O	C90051
PUBCHEM_384	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_384	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_384	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_384	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_384	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_384	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_384	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_384	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_384	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_384	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_384	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_384	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_384	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_384	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_384	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_384	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_384	Cc1cc(O)ccc1	C108394
PUBCHEM_384	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_384	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_384	c1ccc2ncsc2c1	C95169
PUBCHEM_384	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_384	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_384	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_384	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_384	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_384	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_384	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_384	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_384	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_384	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_384	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_384	Cc1c(C)cccc1O	C526750
PUBCHEM_384	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_384	C=Cc1ccccc1C=C	C1321740
PUBCHEM_384	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_384	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_384	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_384	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_384	c1c(CO)occ1	C98000
PUBCHEM_384	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_384	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_384	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_384	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_384	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_384	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_384	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_384	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_384	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_384	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_384	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_384	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_384	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_384	c12ccccc1CCCC2	C119642
PUBCHEM_384	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_384	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_384	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_384	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_384	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_384	Cc1cccc(C)c1	C108383
PUBCHEM_384	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_384	OCCc1ccccc1	C60128
PUBCHEM_384	O=C(O)c1ccccc1O	C69727
PUBCHEM_384	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_384	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_384	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_384	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_384	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_384	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_384	Sc1ccccc1	C108985
PUBCHEM_384	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_384	Oc1ccc2ccccc2c1	C135193
PUBCHEM_384	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_384	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_384	Brc1ccc(F)cc1	C460004
PUBCHEM_384	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_384	ClP(c1ccccc1)Cl	C644973
PUBCHEM_384	OC(C)COc1ccccc1	C770354
PUBCHEM_384	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_384	Nc1cccc(C)c1C	C1300738
PUBCHEM_384	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_384	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_384	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_384	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_384	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_384	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_384	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_384	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_384	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_384	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_384	Nc1c(C)cccc1CC	C24549062
PUBCHEM_384	Clc1cccc(C)c1	C25168052
PUBCHEM_384	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_384	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_384	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_384	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_384	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_384	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_384	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_384	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_384	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_384	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_384	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_384	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_384	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_384	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_384	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_384	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_384	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_384	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_384	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_384	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_384	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_384	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_384	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_384	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_384	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_384	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_384	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_384	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_384	OCn1nc(C)cc1C	C85264331
PUBCHEM_384	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_384	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_384	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_384	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_384	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_384	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_384	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_384	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_384	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_384	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_384	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_384	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_384	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_384	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_384	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_384	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_384	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_384	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_384	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_384	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_384	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_384	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_384	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_384	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_384	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_384	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_384	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_384	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_384	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_384	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_384	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_384	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_384	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_384	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_384	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_384	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_384	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_384	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_384	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_384	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_384	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_384	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_384	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_384	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_384	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_384	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_384	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_384	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_384	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_384	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_384	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_384	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_384	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_384	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_384	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_384	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_384	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_384	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_384	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_384	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_384	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_384	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_384	O=C(c1ccccc1O)C	C118934
PUBCHEM_384	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_384	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_384	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_384	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_384	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_384	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_384	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_384	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_384	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_384	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_384	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_384	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_384	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_384	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_384	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_384	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_384	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_384	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_384	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_384	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_384	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_384	Oc1ccccc1CN(C)C	C120650
PUBCHEM_384	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_384	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_384	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_384	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_384	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_384	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_384	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_384	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_384	OCC=Cc1ccccc1	C104541
PUBCHEM_384	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_384	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_384	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_384	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_384	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_384	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_384	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_384	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_384	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_384	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_384	N#Cc1c(O)cccc1	C611201
PUBCHEM_384	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_384	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_384	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_384	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_384	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_384	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_384	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_384	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_384	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_384	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_384	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_384	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_384	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_384	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_384	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_384	c12ccccc1CC=C2	C95136
PUBCHEM_384	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_384	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_384	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_384	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_384	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_384	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_384	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_384	Oc1c(OCC)cccc1	C94713
PUBCHEM_384	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_384	COc1ccc(CCC)cc1	C104450
PUBCHEM_384	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_384	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_384	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_384	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_384	OC(CO)c1ccccc1	C93561
PUBCHEM_384	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_384	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_384	O=C(N)Nc1ccccc1	C64108
PUBCHEM_384	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_384	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_384	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_384	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_384	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_384	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_384	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_384	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_384	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_384	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_384	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_384	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_384	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_384	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_384	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_384	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_384	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_384	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_384	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_384	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_384	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_384	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_384	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_384	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_384	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_384	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_384	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_384	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_384	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_384	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_384	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_384	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_384	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_384	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_384	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_384	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_384	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_384	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_384	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_384	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_384	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_384	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_384	Sc1ccc(C)cc1	C106456
PUBCHEM_384	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_384	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_384	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_384	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_384	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_384	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_384	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_384	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_384	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_384	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_384	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_384	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_384	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_384	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_384	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_384	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_384	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_384	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_384	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_384	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_384	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_384	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_384	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_384	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_384	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_384	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_384	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_384	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_384	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_384	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_384	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_384	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_384	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_384	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_384	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_384	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_384	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_384	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_384	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_384	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_384	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_384	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_384	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_384	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_384	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_384	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_384	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_384	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_384	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_384	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_384	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_384	c1ccccc1OCCO	C122996
PUBCHEM_384	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_384	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_384	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_384	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_384	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_384	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_384	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_384	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_384	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_384	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_384	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_384	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_384	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_384	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_384	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_384	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_384	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_384	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_384	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_384	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_384	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_384	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_384	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_384	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_384	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_384	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_384	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_384	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_384	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_384	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_384	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_384	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_384	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_384	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_384	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_384	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_384	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_384	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_384	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_384	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_384	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_384	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_384	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_384	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_384	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_384	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_384	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_384	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_384	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_384	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_384	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_384	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_384	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_384	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_384	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_384	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_384	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_384	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_384	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_384	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_384	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_384	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_384	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_384	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_384	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_384	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_384	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_384	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_384	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_384	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_384	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_384	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_384	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_384	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_384	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_384	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_384	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_384	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_384	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_384	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_384	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_384	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_384	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_384	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_384	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_384	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_384	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_384	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_384	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_384	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_384	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_384	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_384	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_384	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_384	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_384	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_384	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_384	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_384	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_384	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_384	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_384	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_384	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_384	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_384	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_384	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_384	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_384	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_384	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_384	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_384	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_384	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_384	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_384	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_384	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_384	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_384	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_384	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_384	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_384	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_384	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_384	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_384	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_384	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_384	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_384	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_384	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_384	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_384	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_384	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_384	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_384	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_384	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_384	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_384	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_384	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_384	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_384	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_384	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_384	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_384	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_384	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_384	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_384	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_384	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_384	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_384	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_384	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_384	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_384	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_384	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_384	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_384	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_384	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_384	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_384	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_384	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_384	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_384	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_384	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_384	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_384	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_384	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_384	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_384	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_384	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_384	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_384	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_384	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_384	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_384	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_384	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_384	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_384	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_384	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_384	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_384	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_384	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_384	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_384	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_384	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_384	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_384	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_384	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_384	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_384	c1coc2c1cccc2	C271896
PUBCHEM_384	OC(=O)c1ccccc1	C65850
PUBCHEM_384	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_384	OCc1ccccc1	C100516
PUBCHEM_384	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_384	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_384	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_384	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_384	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_384	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_384	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_384	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_384	Oc1c(cccc1)O	C120809
PUBCHEM_384	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_384	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_384	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_384	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_384	O=C(c1ccccc1)CCl	C532274
PUBCHEM_384	Nc1ccc(cc1)Cl	C106478
PUBCHEM_384	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_384	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_384	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_384	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_384	Nc1cc(ccc1OC)C	C120718
PUBCHEM_384	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_384	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_384	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_384	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_384	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_384	Clc1c(cccc1)Cl	C95501
PUBCHEM_384	Clc1ccc(cc1)Cl	C106467
PUBCHEM_384	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_384	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_384	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_384	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_384	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_384	CN(c1ccccc1)C	C121697
PUBCHEM_384	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_384	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_384	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_384	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_384	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_384	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_384	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_384	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_384	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_384	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_384	O=Cc1ccco1	C98011
PUBCHEM_384	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_384	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_384	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_384	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_384	Oc1ccc(cc1)O	C123319
PUBCHEM_384	Oc1cccc2cccnc12	C148243
PUBCHEM_384	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_384	O=C(c1ccncc1)NN	C54853
PUBCHEM_384	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_384	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_384	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_384	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_384	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_384	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_384	Cc1cc2cccnc2cc1	C91623
PUBCHEM_384	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_384	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_384	c1c2c(ccc1)cccc2	C91203
PUBCHEM_384	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_384	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_384	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_384	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_384	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_384	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_384	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_384	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_384	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_384	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_384	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_384	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_384	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_384	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_384	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_384	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_384	Oc1ccccc1	C108952
PUBCHEM_384	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_384	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_384	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_384	Nc1cc(ccc1)N	C108452
PUBCHEM_384	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_384	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_384	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_384	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_384	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_384	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_384	Oc1cc(ccc1)O	C108463
PUBCHEM_384	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_384	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_384	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_384	C1C(c2ccccc2)O1	C96093
PUBCHEM_384	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_384	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_384	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_384	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_384	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_384	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_384	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_384	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_384	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_384	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_384	Oc1ccccc1Cl	C95578
PUBCHEM_384	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_384	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_384	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_384	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_384	n1cccc2c1cccc2	C91225
PUBCHEM_384	CCN(CC)c1ccccc1	C91667
PUBCHEM_384	Oc1c(C)cccc1	C95487
PUBCHEM_384	c1ccccc1C(=O)C	C98862
PUBCHEM_384	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_384	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_384	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_384	CCNc1cc(C)ccc1	C102272
PUBCHEM_384	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_384	Oc1ccc(C)cc1	C106445
PUBCHEM_384	Nc1ccc(C)cc1	C106490
PUBCHEM_384	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_384	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_384	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_384	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_384	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_384	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_384	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_384	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_384	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_384	Clc1cc(Cl)ccc1	C541731
PUBCHEM_384	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_384	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_384	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_384	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_384	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_384	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_384	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_384	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_384	c1(CCCC)ccccc1	C104518
PUBCHEM_384	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_384	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_384	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_384	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_384	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_384	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_384	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_384	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_384	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_384	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_384	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_384	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_384	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_384	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_384	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_384	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_384	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_384	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_384	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_384	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_384	Nc1c(OC)cccc1	C90040
PUBCHEM_384	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_384	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_384	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_384	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_384	Cc1ccccc1Cl	C95498
PUBCHEM_384	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_384	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_384	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_384	Oc1c(cccc1C)C	C576261
PUBCHEM_384	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_384	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_384	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_384	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_384	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_384	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_384	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_384	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_384	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_384	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_384	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_384	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_384	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_384	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_384	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_384	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_384	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_384	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_384	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_384	Cc1ccc(Cl)cc1	C106434
PUBCHEM_384	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_384	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_384	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_384	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_384	Nc1cc(C)ccc1N	C496720
PUBCHEM_384	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_384	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_384	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_384	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_384	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_384	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_384	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_384	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_384	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_384	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_384	N(c1ccccc1)CC	C103695
PUBCHEM_384	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_384	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_384	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_384	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_384	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_384	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_384	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_384	Nc1c(N)cccc1	C95545
PUBCHEM_384	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_384	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_384	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_384	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_384	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_384	Nc1c(cccc1)C	C95534
PUBCHEM_384	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_384	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_384	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_384	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_384	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_384	Nc1c(cccc1C)C	C87627
PUBCHEM_384	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_384	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_384	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_384	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_384	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_384	N#Cc1cnccc1	C100549
PUBCHEM_384	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_384	Nc1cccc(C)c1	C108441
PUBCHEM_384	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_384	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_384	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_384	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_384	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_384	Nc1c(CC)cccc1CC	C579668
PUBCHEM_384	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_384	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_384	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_384	Nc1cccc(C)c1N	C2687254
PUBCHEM_384	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_384	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_384	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_384	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_384	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_384	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_384	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_384	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_384	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_384	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_384	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_384	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_384	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_384	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_384	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_384	O=Cc1ccccc1C=O	C643798
PUBCHEM_384	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_384	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_384	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_384	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_384	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_384	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_384	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_384	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_384	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_384	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_384	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_384	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_384	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_384	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_384	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_384	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_384	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_384	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_384	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_384	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_384	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_384	CCCc1ccccc1	C103651
PUBCHEM_384	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_384	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_384	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_384	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_384	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_384	CC(C)(C)c1ccccc1	C98066
PUBCHEM_384	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_384	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_384	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_384	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_384	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_384	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_384	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_384	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_384	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_384	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_384	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_384	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_384	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_384	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_384	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_384	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_384	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_384	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_384	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_384	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_384	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_384	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_384	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_384	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_384	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_384	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_384	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_384	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_384	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_384	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_384	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_384	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_384	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_384	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_384	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_384	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_384	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_384	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_384	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_384	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_384	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_384	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_384	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_384	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_384	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_384	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_384	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_384	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_384	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_384	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_384	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_384	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_384	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_384	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_384	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_384	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_384	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_384	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_384	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_384	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_384	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_384	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_384	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_384	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_384	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_384	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_384	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_384	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_384	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_384	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_384	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_384	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_384	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_384	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_384	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_384	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_384	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_384	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_384	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_384	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_384	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_384	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_384	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_384	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_384	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_384	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_384	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_384	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_384	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_384	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_384	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_384	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_384	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_384	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_384	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_384	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_384	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_384	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_384	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_384	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_384	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_384	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_384	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_384	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_384	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_384	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_384	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_384	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_384	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_384	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_384	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_384	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_384	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_384	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_384	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_384	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_384	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_384	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_384	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_384	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_384	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_384	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_384	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_384	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_384	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_384	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_384	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_384	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_384	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_384	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_384	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_384	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_384	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_384	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_384	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_384	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_384	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_384	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_384	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_384	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_384	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_384	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_384	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_384	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_384	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_384	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_384	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_384	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_384	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_384	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_384	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_384	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_384	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_384	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_384	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_384	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_384	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_384	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_384	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_384	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_384	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_384	O=C(OCC)c1ccccc1	C93890
PUBCHEM_384	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_384	NCc1cccc(CN)c1	C1477550
PUBCHEM_384	n1cc(C)ccc1	C108996
PUBCHEM_384	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_384	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_384	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_384	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_384	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_384	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_384	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_384	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_384	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_384	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_384	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_384	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_384	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_384	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_384	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_384	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_384	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_384	NNc1ccccc1.Cl	C59881
PUBCHEM_384	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_384	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_384	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_384	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_384	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_384	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_384	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_384	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_384	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_384	N#Cc1ccccc1	C100470
PUBCHEM_384	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_384	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_384	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_384	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_384	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_384	Nc1ccc(Br)cc1	C106401
PUBCHEM_384	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_384	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_384	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_384	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_384	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_384	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_384	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_384	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_384	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_384	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_384	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_384	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_384	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_384	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_384	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_384	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_384	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_384	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_384	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_384	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_384	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_384	Nc1ccc(OC)cc1	C104949
PUBCHEM_384	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_384	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_384	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_384	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_384	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_384	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_384	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_384	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_384	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_384	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_384	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_384	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_384	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_384	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_384	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_384	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_384	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_384	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_384	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_384	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_384	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_384	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_384	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_384	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_384	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_384	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_384	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_384	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_384	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_384	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_384	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_384	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_384	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_384	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_384	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_384	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_384	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_384	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_384	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_384	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_384	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_384	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_384	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_384	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_384	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_384	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_384	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_384	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_384	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_384	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_384	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_384	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_384	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_384	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_384	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_384	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_384	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_384	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_384	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_384	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_384	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_384	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_384	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_384	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_384	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_384	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_384	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_384	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_384	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_384	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_384	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_384	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_384	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_384	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_384	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_384	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_384	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_384	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_384	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_384	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_384	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_384	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_384	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_384	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_384	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_384	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_384	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_384	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_384	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_384	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_384	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_384	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_384	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_384	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_384	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_384	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_384	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_384	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_384	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_384	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_384	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_384	Cl[Hg]c1ccccc1	C100561
PUBCHEM_384	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_384	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_384	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_384	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_384	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_384	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_384	O=[As]c1ccccc1	C637036
PUBCHEM_384	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_384	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_384	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_384	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_384	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_384	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_384	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_384	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_384	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_384	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_384	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_384	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_384	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_384	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_384	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_384	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_384	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_384	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_384	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_384	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_384	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_384	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_384	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_384	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_384	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_384	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_384	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_384	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_384	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_384	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_384	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_384	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_384	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_384	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_384	Nc1cccc(C)n1	C1824813
PUBCHEM_384	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_384	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_384	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_384	CC1COc2ccccc2N1	C32329207
PUBCHEM_384	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_384	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_384	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_384	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_384	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_384	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_384	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_384	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_384	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_384	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_384	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_384	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_384	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_384	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_384	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_384	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_384	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_384	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_384	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_384	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_384	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_384	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_384	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_384	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_384	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_384	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_384	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_384	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_384	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_384	CCCCCc1ccco1	C3777693
PUBCHEM_384	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_385	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_385	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_385	c1cccc2[nH]ccc12	C120729
PUBCHEM_385	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_385	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_385	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_385	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_385	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_385	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_385	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_385	Oc1cccc2ccccc12	C90153
PUBCHEM_385	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_385	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_385	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_385	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_385	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_385	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_385	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_385	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_385	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_385	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_385	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_385	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_385	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_385	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_385	Oc1ccc2ccccc2c1	C135193
PUBCHEM_385	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_385	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_385	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_385	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_385	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_385	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_385	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_385	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_385	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_385	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_385	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_385	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_385	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_385	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_385	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_385	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_385	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_385	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_385	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_385	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_385	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_385	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_385	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_385	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_385	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_385	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_385	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_385	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_385	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_385	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_385	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_385	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_385	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_385	c1coc2c1cccc2	C271896
PUBCHEM_385	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_385	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_385	Oc1cccc2cccnc12	C148243
PUBCHEM_385	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_385	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_385	Cc1cc2cccnc2cc1	C91623
PUBCHEM_385	c1c2c(ccc1)cccc2	C91203
PUBCHEM_385	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_385	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_385	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_385	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_385	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_385	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_385	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_385	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_385	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_385	n1cccc2c1cccc2	C91225
PUBCHEM_385	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_385	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_385	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_385	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_385	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_385	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_385	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_385	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_385	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_385	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_385	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_385	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_385	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_385	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_385	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_385	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_385	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_385	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_385	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_385	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_385	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_385	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_385	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_385	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_385	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_385	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_385	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_385	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_385	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_385	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_385	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_385	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_385	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_385	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_385	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_385	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_385	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_385	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_385	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_385	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_385	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_385	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_385	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_385	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_385	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_385	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_385	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_385	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_385	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_385	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_385	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_385	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_385	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_385	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_385	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_385	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_385	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_385	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_385	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_385	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_385	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_385	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_385	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_385	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_385	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_386	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_386	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_386	c1cccc2[nH]ccc12	C120729
PUBCHEM_386	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_386	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_386	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_386	c1ccc2ncsc2c1	C95169
PUBCHEM_386	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_386	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_386	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_386	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_386	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_386	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_386	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_386	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_386	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_386	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_386	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_386	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_386	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_386	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_386	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_386	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_386	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_386	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_386	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_386	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_386	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_386	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_386	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_386	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_386	Oc1cccc2cccnc12	C148243
PUBCHEM_386	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_386	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_386	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_386	Cc1cc2cccnc2cc1	C91623
PUBCHEM_386	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_386	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_386	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_386	n1cccc2c1cccc2	C91225
PUBCHEM_386	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_386	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_386	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_386	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_386	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_386	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_386	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_386	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_386	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_386	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_386	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_386	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_386	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_386	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_386	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_386	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_386	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_386	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_386	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_386	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_386	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_386	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_386	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_386	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_386	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_386	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_386	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_386	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_386	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_386	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_386	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_386	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_386	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_386	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_386	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_386	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_386	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_386	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_386	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_386	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_386	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_386	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_386	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_386	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_386	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_386	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_386	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_386	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_386	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_386	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_387	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_387	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_387	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_387	c1cccc2[nH]ccc12	C120729
PUBCHEM_387	NC(=O)c1cccnc1	C98920
PUBCHEM_387	OC(=O)c1cccnc1	C59676
PUBCHEM_387	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_387	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_387	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_387	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_387	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_387	c1ccc2ncsc2c1	C95169
PUBCHEM_387	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_387	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_387	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_387	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_387	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_387	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_387	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_387	n1c[nH]cc1	C288324
PUBCHEM_387	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_387	OCn1nc(C)cc1C	C85264331
PUBCHEM_387	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_387	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_387	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_387	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_387	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_387	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_387	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_387	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_387	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_387	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_387	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_387	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_387	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_387	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_387	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_387	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_387	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_387	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_387	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_387	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_387	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_387	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_387	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_387	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_387	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_387	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_387	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_387	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_387	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_387	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_387	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_387	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_387	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_387	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_387	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_387	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_387	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_387	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_387	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_387	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_387	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_387	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_387	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_387	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_387	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_387	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_387	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_387	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_387	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_387	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_387	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_387	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_387	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_387	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_387	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_387	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_387	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_387	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_387	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_387	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_387	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_387	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_387	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_387	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_387	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_387	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_387	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_387	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_387	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_387	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_387	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_387	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_387	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_387	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_387	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_387	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_387	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_387	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_387	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_387	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_387	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_387	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_387	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_387	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_387	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_387	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_387	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_387	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_387	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_387	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_387	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_387	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_387	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_387	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_387	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_387	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_387	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_387	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_387	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_387	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_387	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_387	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_387	Oc1cccc2cccnc12	C148243
PUBCHEM_387	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_387	O=C(c1ccncc1)NN	C54853
PUBCHEM_387	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_387	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_387	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_387	Cc1cc2cccnc2cc1	C91623
PUBCHEM_387	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_387	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_387	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_387	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_387	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_387	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_387	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_387	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_387	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_387	n1cccc2c1cccc2	C91225
PUBCHEM_387	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_387	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_387	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_387	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_387	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_387	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_387	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_387	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_387	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_387	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_387	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_387	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_387	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_387	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_387	N#Cc1cnccc1	C100549
PUBCHEM_387	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_387	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_387	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_387	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_387	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_387	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_387	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_387	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_387	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_387	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_387	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_387	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_387	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_387	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_387	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_387	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_387	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_387	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_387	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_387	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_387	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_387	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_387	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_387	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_387	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_387	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_387	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_387	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_387	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_387	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_387	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_387	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_387	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_387	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_387	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_387	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_387	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_387	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_387	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_387	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_387	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_387	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_387	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_387	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_387	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_387	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_387	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_387	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_387	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_387	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_387	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_387	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_387	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_387	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_387	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_387	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_387	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_387	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_387	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_387	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_387	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_387	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_387	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_387	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_387	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_387	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_387	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_387	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_387	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_387	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_387	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_387	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_387	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_387	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_387	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_387	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_387	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_387	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_387	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_387	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_387	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_387	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_387	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_387	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_387	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_387	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_387	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_387	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_387	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_387	n1cc(C)ccc1	C108996
PUBCHEM_387	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_387	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_387	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_387	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_387	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_387	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_387	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_387	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_387	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_387	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_387	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_387	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_387	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_387	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_387	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_387	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_387	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_387	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_387	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_387	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_387	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_387	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_387	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_387	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_387	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_387	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_387	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_387	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_387	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_387	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_387	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_387	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_387	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_387	Nc1cccc(C)n1	C1824813
PUBCHEM_387	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_387	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_387	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_387	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_388	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_388	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_388	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_388	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_388	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_388	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_388	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_388	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_388	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_388	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_388	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_388	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_388	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_388	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_388	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_388	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_388	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_388	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_388	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_388	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_388	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_388	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_388	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_388	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_388	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_389	c1(nc[nH]n1)N	C61825
PUBCHEM_389	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_389	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_389	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_389	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_389	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_389	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_389	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_389	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_389	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_389	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_389	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_389	n1c[nH]cc1	C288324
PUBCHEM_389	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_389	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_389	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_389	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_389	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_389	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_389	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_389	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_389	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_389	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_389	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_389	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_389	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_389	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_389	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_389	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_389	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_389	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_389	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_389	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_389	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_389	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_389	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_389	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_389	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_389	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_389	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_389	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_389	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_389	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_389	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_389	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_389	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_389	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_389	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_389	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_389	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_389	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_389	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_389	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_389	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_389	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_389	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_389	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_389	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_389	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_389	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_389	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_389	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_389	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_389	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_389	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_389	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_389	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_389	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_389	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_389	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_389	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_389	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_389	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_389	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_389	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_389	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_389	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_389	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_389	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_389	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_389	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_389	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_389	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_389	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_389	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_389	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_389	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_389	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_389	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_389	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_389	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_389	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_389	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_389	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_389	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_389	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_389	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_389	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_389	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_389	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_389	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_389	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_389	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_389	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_389	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_389	[nH]1ncnc1	C288880
PUBCHEM_389	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_389	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_389	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_389	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_389	Nn1cnnc1	C584134
PUBCHEM_389	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_389	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_389	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_389	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_389	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_389	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_389	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_389	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_389	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_389	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_389	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_389	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_389	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_389	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_389	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_389	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_389	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_389	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_389	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_389	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_389	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_389	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_389	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_389	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_389	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_389	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_389	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_389	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_389	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_389	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_389	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_389	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_389	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_389	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_389	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_389	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_389	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_389	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_389	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_389	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_389	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_389	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_389	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_389	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_389	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_389	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_389	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_389	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_389	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_389	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_389	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_389	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_389	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_389	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_389	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_389	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_389	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_389	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_389	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_389	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_389	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_390	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_390	C=CCN=C=S	C57067
PUBCHEM_390	c1(nc[nH]n1)N	C61825
PUBCHEM_390	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_390	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_390	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_390	CC(CNCC(C)O)O	C110974
PUBCHEM_390	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_390	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_390	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_390	NC(=N)NC#N	C461585
PUBCHEM_390	S=C(NCC)NCC	C105555
PUBCHEM_390	CN(C)C(=O)C	C127195
PUBCHEM_390	CN(CCO)C	C108010
PUBCHEM_390	CN(C)N	C57147
PUBCHEM_390	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_390	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_390	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_390	c1cccc2[nH]ccc12	C120729
PUBCHEM_390	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_390	NC(=O)c1cccnc1	C98920
PUBCHEM_390	OC(=O)c1cccnc1	C59676
PUBCHEM_390	CN(C(=O)N)N=O	C684935
PUBCHEM_390	CN(N=O)C	C62759
PUBCHEM_390	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_390	O=NN1CCCC1	C930552
PUBCHEM_390	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_390	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_390	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_390	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_390	OCCN1CCNCC1	C103764
PUBCHEM_390	CCNCCO	C110736
PUBCHEM_390	NCCN1CCNCC1	C140318
PUBCHEM_390	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_390	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_390	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_390	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_390	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_390	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_390	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_390	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_390	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_390	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_390	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_390	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_390	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_390	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_390	CNC	C124403
PUBCHEM_390	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_390	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_390	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_390	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_390	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_390	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_390	c1ccc2ncsc2c1	C95169
PUBCHEM_390	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_390	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_390	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_390	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_390	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_390	N(CCN)CCN	C111400
PUBCHEM_390	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_390	N(CCCN)(C)C	C109557
PUBCHEM_390	OCNC(=O)NCO	C140954
PUBCHEM_390	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_390	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_390	C1COCCN1	C110918
PUBCHEM_390	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_390	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_390	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_390	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_390	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_390	N(C)(C)C	C75503
PUBCHEM_390	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_390	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_390	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_390	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_390	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_390	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_390	N1CCCCCC1	C111499
PUBCHEM_390	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_390	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_390	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_390	O=C1NCCC1	C616455
PUBCHEM_390	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_390	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_390	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_390	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_390	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_390	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_390	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_390	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_390	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_390	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_390	CN1CCOCC1	C109024
PUBCHEM_390	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_390	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_390	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_390	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_390	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_390	n1c[nH]cc1	C288324
PUBCHEM_390	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_390	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_390	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_390	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_390	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_390	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_390	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_390	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_390	OCn1nc(C)cc1C	C85264331
PUBCHEM_390	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_390	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_390	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_390	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_390	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_390	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_390	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_390	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_390	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_390	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_390	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_390	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_390	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_390	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_390	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_390	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_390	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_390	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_390	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_390	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_390	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_390	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_390	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_390	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_390	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_390	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_390	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_390	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_390	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_390	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_390	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_390	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_390	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_390	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_390	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_390	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_390	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_390	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_390	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_390	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_390	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_390	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_390	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_390	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_390	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_390	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_390	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_390	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_390	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_390	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_390	Oc1ccccc1CN(C)C	C120650
PUBCHEM_390	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_390	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_390	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_390	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_390	NCCCN1CCOCC1	C123002
PUBCHEM_390	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_390	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_390	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_390	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_390	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_390	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_390	OCCN(CC)CCO	C139877
PUBCHEM_390	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_390	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_390	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_390	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_390	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_390	S=C(NC)NC	C534134
PUBCHEM_390	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_390	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_390	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_390	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_390	O=C(N)Nc1ccccc1	C64108
PUBCHEM_390	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_390	NNC(=S)NC	C6610293
PUBCHEM_390	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_390	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_390	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_390	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_390	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_390	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_390	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_390	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_390	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_390	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_390	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_390	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_390	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_390	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_390	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_390	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_390	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_390	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_390	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_390	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_390	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_390	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_390	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_390	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_390	S=C1NCCN1	C96457
PUBCHEM_390	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_390	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_390	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_390	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_390	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_390	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_390	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_390	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_390	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_390	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_390	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_390	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_390	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_390	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_390	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_390	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_390	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_390	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_390	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_390	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_390	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_390	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_390	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_390	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_390	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_390	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_390	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_390	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_390	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_390	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_390	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_390	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_390	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_390	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_390	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_390	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_390	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_390	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_390	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_390	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_390	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_390	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_390	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_390	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_390	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_390	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_390	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_390	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_390	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_390	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_390	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_390	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_390	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_390	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_390	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_390	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_390	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_390	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_390	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_390	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_390	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_390	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_390	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_390	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_390	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_390	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_390	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_390	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_390	CN1CN(C)CSC1=S	C533744
PUBCHEM_390	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_390	S=C=NC	C556616
PUBCHEM_390	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_390	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_390	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_390	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_390	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_390	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_390	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_390	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_390	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_390	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_390	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_390	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_390	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_390	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_390	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_390	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_390	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_390	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_390	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_390	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_390	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_390	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_390	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_390	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_390	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_390	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_390	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_390	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_390	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_390	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_390	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_390	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_390	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_390	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_390	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_390	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_390	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_390	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_390	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_390	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_390	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_390	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_390	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_390	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_390	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_390	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_390	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_390	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_390	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_390	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_390	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_390	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_390	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_390	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_390	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_390	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_390	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_390	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_390	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_390	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_390	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_390	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_390	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_390	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_390	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_390	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_390	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_390	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_390	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_390	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_390	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_390	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_390	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_390	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_390	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_390	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_390	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_390	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_390	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_390	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_390	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_390	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_390	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_390	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_390	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_390	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_390	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_390	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_390	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_390	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_390	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_390	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_390	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_390	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_390	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_390	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_390	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_390	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_390	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_390	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_390	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_390	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_390	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_390	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_390	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_390	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_390	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_390	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_390	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_390	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_390	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_390	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_390	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_390	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_390	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_390	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_390	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_390	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_390	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_390	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_390	O=C1CCCCCN1	C105602
PUBCHEM_390	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_390	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_390	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_390	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_390	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_390	CN(c1ccccc1)C	C121697
PUBCHEM_390	O=C(N(C)C)Cl	C79447
PUBCHEM_390	CN(C=O)C	C68122
PUBCHEM_390	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_390	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_390	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_390	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_390	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_390	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_390	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_390	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_390	Oc1cccc2cccnc12	C148243
PUBCHEM_390	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_390	O=C(c1ccncc1)NN	C54853
PUBCHEM_390	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_390	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_390	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_390	O=C1N(CCC1)C	C872504
PUBCHEM_390	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_390	Cc1cc2cccnc2cc1	C91623
PUBCHEM_390	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_390	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_390	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_390	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_390	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_390	O=NN(CCCC)CCCC	C924163
PUBCHEM_390	CCN(CC)N=O	C55185
PUBCHEM_390	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_390	O=NN(CCC)CCC	C621647
PUBCHEM_390	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_390	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_390	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_390	C1CNCCN1	C110850
PUBCHEM_390	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_390	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_390	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_390	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_390	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_390	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_390	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_390	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_390	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_390	OCCN(CCO)CCO	C102716
PUBCHEM_390	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_390	O=C1N(C=C)CCC1	C88120
PUBCHEM_390	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_390	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_390	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_390	n1cccc2c1cccc2	C91225
PUBCHEM_390	CCN(CC)c1ccccc1	C91667
PUBCHEM_390	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_390	CCN(CCO)CC	C100378
PUBCHEM_390	CCNc1cc(C)ccc1	C102272
PUBCHEM_390	OCCNCCO	C111422
PUBCHEM_390	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_390	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_390	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_390	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_390	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_390	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_390	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_390	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_390	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_390	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_390	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_390	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_390	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_390	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_390	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_390	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_390	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_390	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_390	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_390	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_390	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_390	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_390	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_390	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_390	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_390	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_390	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_390	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_390	N(c1ccccc1)CC	C103695
PUBCHEM_390	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_390	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_390	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_390	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_390	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_390	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_390	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_390	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_390	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_390	N#Cc1cnccc1	C100549
PUBCHEM_390	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_390	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_390	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_390	[nH]1ncnc1	C288880
PUBCHEM_390	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_390	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_390	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_390	CCC12N(COC1)COC2	C7747355
PUBCHEM_390	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_390	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_390	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_390	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_390	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_390	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_390	Nn1cnnc1	C584134
PUBCHEM_390	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_390	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_390	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_390	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_390	CCCCCCCCN(C)C	C7378996
PUBCHEM_390	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_390	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_390	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_390	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_390	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_390	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_390	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_390	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_390	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_390	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_390	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_390	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_390	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_390	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_390	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_390	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_390	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_390	O=C(C)NC	C79163
PUBCHEM_390	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_390	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_390	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_390	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_390	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_390	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_390	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_390	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_390	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_390	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_390	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_390	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_390	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_390	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_390	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_390	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_390	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_390	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_390	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_390	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_390	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_390	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_390	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_390	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_390	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_390	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_390	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_390	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_390	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_390	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_390	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_390	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_390	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_390	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_390	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_390	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_390	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_390	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_390	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_390	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_390	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_390	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_390	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_390	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_390	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_390	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_390	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_390	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_390	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_390	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_390	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_390	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_390	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_390	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_390	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_390	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_390	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_390	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_390	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_390	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_390	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_390	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_390	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_390	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_390	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_390	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_390	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_390	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_390	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_390	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_390	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_390	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_390	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_390	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_390	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_390	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_390	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_390	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_390	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_390	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_390	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_390	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_390	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_390	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_390	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_390	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_390	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_390	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_390	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_390	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_390	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_390	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_390	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_390	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_390	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_390	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_390	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_390	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_390	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_390	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_390	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_390	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_390	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_390	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_390	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_390	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_390	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_390	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_390	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_390	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_390	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_390	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_390	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_390	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_390	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_390	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_390	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_390	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_390	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_390	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_390	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_390	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_390	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_390	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_390	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_390	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_390	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_390	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_390	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_390	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_390	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_390	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_390	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_390	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_390	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_390	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_390	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_390	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_390	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_390	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_390	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_390	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_390	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_390	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_390	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_390	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_390	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_390	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_390	S=C(NCCCC)NCCCC	C109466
PUBCHEM_390	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_390	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_390	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_390	N(CCN(C)C)(C)C	C110189
PUBCHEM_390	CCN(CC)CC	C121448
PUBCHEM_390	n1cc(C)ccc1	C108996
PUBCHEM_390	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_390	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_390	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_390	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_390	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_390	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_390	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_390	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_390	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_390	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_390	S=P(N1CC1)(N1CC1)N1CC1	C52244
PUBCHEM_390	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_390	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_390	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_390	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_390	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_390	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_390	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_390	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_390	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_390	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_390	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_390	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_390	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_390	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_390	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_390	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_390	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_390	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_390	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_390	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_390	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_390	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_390	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_390	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_390	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_390	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_390	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_390	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_390	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_390	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_390	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_390	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_390	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_390	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_390	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_390	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_390	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_390	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_390	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_390	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_390	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_390	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_390	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_390	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_390	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_390	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_390	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_390	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_390	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_390	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_390	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_390	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_390	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_390	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_390	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_390	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_390	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_390	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_390	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_390	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_390	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_390	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_390	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_390	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_390	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_390	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_390	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_390	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_390	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_390	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_390	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_390	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_390	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_390	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_390	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_390	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_390	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_390	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_390	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_390	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_390	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_390	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_390	O=CN1CCCCC1	C2591868
PUBCHEM_390	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_390	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_390	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_390	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_390	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_390	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_390	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_390	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_390	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_390	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_390	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_390	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_390	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_390	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_390	Nc1cccc(C)n1	C1824813
PUBCHEM_390	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_390	CC1COc2ccccc2N1	C32329207
PUBCHEM_390	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_390	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_390	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_390	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_390	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_390	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_390	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_390	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_390	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_390	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_390	S=C=NCCCSC	C505793
PUBCHEM_390	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_390	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_390	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_390	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_390	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_390	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_390	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_391	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_391	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_391	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_391	CN(C)C(=O)C	C127195
PUBCHEM_391	CN(CCO)C	C108010
PUBCHEM_391	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_391	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_391	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_391	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_391	OCCN1CCNCC1	C103764
PUBCHEM_391	NCCN1CCNCC1	C140318
PUBCHEM_391	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_391	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_391	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_391	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_391	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_391	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_391	N(CCCN)(C)C	C109557
PUBCHEM_391	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_391	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_391	N(C)(C)C	C75503
PUBCHEM_391	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_391	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_391	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_391	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_391	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_391	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_391	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_391	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_391	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_391	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_391	CN1CCOCC1	C109024
PUBCHEM_391	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_391	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_391	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_391	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_391	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_391	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_391	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_391	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_391	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_391	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_391	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_391	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_391	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_391	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_391	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_391	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_391	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_391	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_391	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_391	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_391	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_391	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_391	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_391	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_391	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_391	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_391	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_391	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_391	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_391	Oc1ccccc1CN(C)C	C120650
PUBCHEM_391	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_391	NCCCN1CCOCC1	C123002
PUBCHEM_391	OCCN(CC)CCO	C139877
PUBCHEM_391	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_391	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_391	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_391	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_391	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_391	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_391	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_391	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_391	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_391	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_391	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_391	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_391	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_391	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_391	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_391	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_391	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_391	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_391	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_391	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_391	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_391	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_391	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_391	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_391	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_391	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_391	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_391	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_391	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_391	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_391	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_391	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_391	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_391	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_391	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_391	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_391	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_391	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_391	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_391	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_391	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_391	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_391	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_391	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_391	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_391	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_391	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_391	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_391	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_391	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_391	CN1CN(C)CSC1=S	C533744
PUBCHEM_391	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_391	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_391	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_391	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_391	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_391	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_391	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_391	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_391	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_391	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_391	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_391	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_391	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_391	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_391	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_391	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_391	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_391	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_391	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_391	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_391	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_391	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_391	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_391	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_391	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_391	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_391	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_391	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_391	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_391	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_391	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_391	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_391	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_391	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_391	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_391	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_391	CN(c1ccccc1)C	C121697
PUBCHEM_391	O=C(N(C)C)Cl	C79447
PUBCHEM_391	CN(C=O)C	C68122
PUBCHEM_391	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_391	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_391	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_391	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_391	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_391	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_391	O=C1N(CCC1)C	C872504
PUBCHEM_391	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_391	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_391	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_391	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_391	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_391	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_391	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_391	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_391	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_391	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_391	OCCN(CCO)CCO	C102716
PUBCHEM_391	O=C1N(C=C)CCC1	C88120
PUBCHEM_391	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_391	CCN(CC)c1ccccc1	C91667
PUBCHEM_391	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_391	CCN(CCO)CC	C100378
PUBCHEM_391	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_391	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_391	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_391	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_391	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_391	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_391	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_391	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_391	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_391	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_391	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_391	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_391	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_391	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_391	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_391	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_391	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_391	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_391	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_391	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_391	CCC12N(COC1)COC2	C7747355
PUBCHEM_391	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_391	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_391	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_391	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_391	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_391	CCCCCCCCN(C)C	C7378996
PUBCHEM_391	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_391	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_391	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_391	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_391	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_391	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_391	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_391	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_391	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_391	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_391	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_391	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_391	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_391	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_391	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_391	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_391	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_391	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_391	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_391	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_391	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_391	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_391	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_391	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_391	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_391	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_391	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_391	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_391	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_391	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_391	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_391	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_391	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_391	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_391	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_391	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_391	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_391	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_391	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_391	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_391	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_391	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_391	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_391	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_391	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_391	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_391	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_391	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_391	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_391	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_391	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_391	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_391	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_391	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_391	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_391	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_391	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_391	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_391	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_391	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_391	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_391	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_391	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_391	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_391	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_391	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_391	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_391	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_391	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_391	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_391	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_391	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_391	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_391	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_391	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_391	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_391	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_391	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_391	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_391	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_391	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_391	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_391	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_391	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_391	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_391	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_391	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_391	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_391	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_391	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_391	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_391	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_391	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_391	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_391	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_391	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_391	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_391	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_391	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_391	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_391	N(CCN(C)C)(C)C	C110189
PUBCHEM_391	CCN(CC)CC	C121448
PUBCHEM_391	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_391	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_391	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_391	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_391	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_391	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_391	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_391	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_391	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_391	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_391	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_391	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_391	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_391	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_391	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_391	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_391	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_391	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_391	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_391	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_391	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_391	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_391	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_391	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_391	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_391	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_391	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_391	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_391	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_391	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_391	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_391	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_391	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_391	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_391	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_391	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_391	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_391	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_391	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_391	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_391	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_391	O=CN1CCCCC1	C2591868
PUBCHEM_391	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_391	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_391	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_391	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_391	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_391	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_391	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_391	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_391	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_391	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_391	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_391	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_391	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_391	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_391	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_391	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_391	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_391	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_391	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_392	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_392	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_393	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_393	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_395	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_395	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_395	O=[N+](CC)[O-]	C79243
PUBCHEM_395	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_395	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_395	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_395	ON=C1CCCCC1	C100641
PUBCHEM_395	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_395	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_395	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_395	ON=CCCC	C110690
PUBCHEM_395	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_395	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_395	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_395	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_395	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_395	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_395	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_395	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_395	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_395	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_395	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_395	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_395	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_395	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_395	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_395	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_395	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_395	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_395	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_395	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_395	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_395	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_395	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_395	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_395	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_395	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_395	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_395	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_395	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_395	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_395	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_395	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_395	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_395	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_395	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_395	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_395	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_395	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_395	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_395	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_395	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_395	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_395	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_395	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_395	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_395	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_395	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_395	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_395	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_395	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_395	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_395	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_395	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_395	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_395	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_395	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_395	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_395	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_395	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_395	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_395	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_395	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_395	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_395	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_395	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_395	CCC(=NO)C	C96297
PUBCHEM_395	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_395	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_395	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_395	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_395	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_395	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_395	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_395	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_395	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_395	ON=CC(C)(C)SC	C1646759
PUBCHEM_395	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_395	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_395	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_395	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_395	C(=O)(N)NO	C127071
PUBCHEM_395	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_395	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_395	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_395	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_395	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_395	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_395	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_395	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_395	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_395	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_395	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_395	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_395	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_395	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_395	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_395	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_395	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_395	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_395	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_395	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_395	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_395	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_395	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_395	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_395	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_395	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_395	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_395	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_395	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_395	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_395	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_395	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_395	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_395	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_395	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_395	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_395	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_395	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_395	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_395	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_395	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_395	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_395	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_395	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_395	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_395	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_395	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_395	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_395	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_395	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_395	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_395	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_395	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_395	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_395	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_395	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_395	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_395	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_395	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_395	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_396	c1(nc[nH]n1)N	C61825
PUBCHEM_396	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_396	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_396	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_396	c1cccc2[nH]ccc12	C120729
PUBCHEM_396	NC(=O)c1cccnc1	C98920
PUBCHEM_396	OC(=O)c1cccnc1	C59676
PUBCHEM_396	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_396	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_396	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_396	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_396	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_396	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_396	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_396	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_396	c1ccc2ncsc2c1	C95169
PUBCHEM_396	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_396	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_396	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_396	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_396	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_396	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_396	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_396	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_396	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_396	n1c[nH]cc1	C288324
PUBCHEM_396	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_396	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_396	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_396	OCn1nc(C)cc1C	C85264331
PUBCHEM_396	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_396	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_396	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_396	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_396	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_396	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_396	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_396	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_396	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_396	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_396	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_396	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_396	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_396	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_396	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_396	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_396	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_396	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_396	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_396	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_396	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_396	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_396	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_396	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_396	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_396	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_396	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_396	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_396	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_396	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_396	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_396	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_396	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_396	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_396	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_396	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_396	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_396	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_396	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_396	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_396	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_396	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_396	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_396	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_396	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_396	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_396	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_396	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_396	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_396	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_396	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_396	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_396	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_396	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_396	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_396	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_396	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_396	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_396	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_396	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_396	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_396	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_396	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_396	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_396	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_396	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_396	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_396	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_396	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_396	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_396	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_396	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_396	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_396	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_396	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_396	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_396	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_396	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_396	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_396	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_396	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_396	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_396	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_396	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_396	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_396	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_396	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_396	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_396	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_396	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_396	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_396	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_396	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_396	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_396	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_396	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_396	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_396	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_396	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_396	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_396	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_396	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_396	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_396	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_396	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_396	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_396	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_396	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_396	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_396	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_396	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_396	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_396	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_396	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_396	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_396	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_396	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_396	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_396	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_396	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_396	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_396	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_396	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_396	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_396	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_396	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_396	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_396	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_396	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_396	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_396	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_396	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_396	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_396	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_396	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_396	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_396	Oc1cccc2cccnc12	C148243
PUBCHEM_396	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_396	O=C(c1ccncc1)NN	C54853
PUBCHEM_396	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_396	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_396	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_396	Cc1cc2cccnc2cc1	C91623
PUBCHEM_396	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_396	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_396	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_396	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_396	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_396	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_396	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_396	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_396	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_396	n1cccc2c1cccc2	C91225
PUBCHEM_396	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_396	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_396	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_396	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_396	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_396	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_396	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_396	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_396	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_396	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_396	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_396	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_396	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_396	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_396	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_396	N#Cc1cnccc1	C100549
PUBCHEM_396	[nH]1ncnc1	C288880
PUBCHEM_396	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_396	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_396	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_396	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_396	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_396	Nn1cnnc1	C584134
PUBCHEM_396	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_396	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_396	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_396	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_396	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_396	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_396	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_396	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_396	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_396	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_396	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_396	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_396	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_396	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_396	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_396	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_396	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_396	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_396	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_396	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_396	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_396	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_396	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_396	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_396	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_396	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_396	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_396	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_396	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_396	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_396	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_396	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_396	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_396	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_396	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_396	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_396	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_396	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_396	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_396	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_396	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_396	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_396	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_396	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_396	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_396	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_396	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_396	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_396	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_396	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_396	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_396	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_396	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_396	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_396	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_396	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_396	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_396	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_396	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_396	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_396	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_396	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_396	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_396	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_396	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_396	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_396	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_396	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_396	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_396	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_396	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_396	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_396	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_396	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_396	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_396	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_396	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_396	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_396	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_396	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_396	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_396	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_396	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_396	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_396	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_396	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_396	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_396	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_396	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_396	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_396	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_396	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_396	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_396	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_396	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_396	n1cc(C)ccc1	C108996
PUBCHEM_396	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_396	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_396	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_396	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_396	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_396	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_396	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_396	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_396	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_396	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_396	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_396	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_396	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_396	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_396	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_396	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_396	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_396	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_396	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_396	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_396	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_396	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_396	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_396	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_396	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_396	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_396	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_396	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_396	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_396	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_396	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_396	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_396	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_396	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_396	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_396	Nc1cccc(C)n1	C1824813
PUBCHEM_396	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_396	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_396	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_396	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_397	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_397	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_397	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_397	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_397	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_397	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_397	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_397	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_397	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_397	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_397	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_397	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_397	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_397	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_397	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_397	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_397	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_397	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_397	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_397	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_397	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_397	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_397	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_397	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_397	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_397	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_397	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_397	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_397	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_397	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_397	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_397	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_397	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_397	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_397	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_397	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_397	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_397	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_397	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_397	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_397	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_397	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_397	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_397	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_397	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_397	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_397	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_397	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_397	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_397	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_397	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_397	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_397	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_397	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_397	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_397	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_397	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_397	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_397	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_397	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_397	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_397	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_397	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_397	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_397	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_397	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_397	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_397	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_397	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_397	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_401	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_401	O=[N+](CC)[O-]	C79243
PUBCHEM_401	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_401	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_401	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_401	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_401	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_401	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_401	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_401	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_401	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_401	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_401	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_401	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_401	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_401	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_401	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_401	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_401	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_401	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_401	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_401	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_401	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_401	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_401	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_401	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_401	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_401	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_401	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_401	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_401	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_401	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_401	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_401	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_401	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_401	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_401	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_401	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_401	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_401	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_401	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_401	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_401	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_401	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_401	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_401	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_401	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_401	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_401	O=N[O-].[Na+]	C7632000
PUBCHEM_401	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_401	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_401	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_401	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_401	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_401	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_401	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_401	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_401	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_401	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_401	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_401	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_401	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_401	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_401	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_401	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_401	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_401	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_401	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_401	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_401	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_401	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_401	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_401	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_401	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_401	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_401	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_401	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_401	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_401	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_401	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_401	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_401	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_401	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_401	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_401	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_401	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_401	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_401	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_401	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_401	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_401	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_401	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_401	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_401	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_401	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_401	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_401	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_401	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_401	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_401	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_401	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_401	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_401	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_401	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_401	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_401	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_401	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_401	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_401	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_401	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_401	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_401	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_401	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_403	c1(nc[nH]n1)N	C61825
PUBCHEM_403	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_403	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_403	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_403	c1cccc2[nH]ccc12	C120729
PUBCHEM_403	NC(=O)c1cccnc1	C98920
PUBCHEM_403	OC(=O)c1cccnc1	C59676
PUBCHEM_403	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_403	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_403	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_403	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_403	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_403	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_403	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_403	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_403	c1ccc2ncsc2c1	C95169
PUBCHEM_403	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_403	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_403	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_403	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_403	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_403	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_403	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_403	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_403	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_403	n1c[nH]cc1	C288324
PUBCHEM_403	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_403	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_403	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_403	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_403	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_403	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_403	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_403	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_403	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_403	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_403	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_403	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_403	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_403	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_403	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_403	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_403	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_403	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_403	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_403	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_403	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_403	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_403	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_403	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_403	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_403	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_403	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_403	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_403	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_403	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_403	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_403	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_403	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_403	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_403	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_403	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_403	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_403	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_403	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_403	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_403	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_403	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_403	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_403	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_403	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_403	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_403	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_403	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_403	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_403	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_403	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_403	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_403	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_403	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_403	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_403	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_403	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_403	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_403	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_403	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_403	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_403	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_403	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_403	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_403	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_403	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_403	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_403	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_403	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_403	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_403	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_403	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_403	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_403	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_403	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_403	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_403	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_403	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_403	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_403	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_403	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_403	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_403	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_403	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_403	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_403	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_403	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_403	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_403	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_403	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_403	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_403	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_403	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_403	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_403	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_403	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_403	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_403	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_403	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_403	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_403	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_403	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_403	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_403	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_403	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_403	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_403	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_403	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_403	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_403	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_403	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_403	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_403	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_403	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_403	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_403	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_403	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_403	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_403	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_403	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_403	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_403	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_403	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_403	Oc1cccc2cccnc12	C148243
PUBCHEM_403	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_403	O=C(c1ccncc1)NN	C54853
PUBCHEM_403	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_403	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_403	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_403	Cc1cc2cccnc2cc1	C91623
PUBCHEM_403	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_403	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_403	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_403	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_403	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_403	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_403	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_403	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_403	n1cccc2c1cccc2	C91225
PUBCHEM_403	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_403	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_403	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_403	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_403	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_403	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_403	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_403	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_403	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_403	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_403	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_403	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_403	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_403	N#Cc1cnccc1	C100549
PUBCHEM_403	[nH]1ncnc1	C288880
PUBCHEM_403	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_403	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_403	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_403	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_403	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_403	Nn1cnnc1	C584134
PUBCHEM_403	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_403	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_403	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_403	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_403	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_403	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_403	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_403	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_403	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_403	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_403	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_403	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_403	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_403	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_403	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_403	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_403	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_403	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_403	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_403	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_403	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_403	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_403	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_403	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_403	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_403	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_403	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_403	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_403	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_403	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_403	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_403	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_403	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_403	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_403	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_403	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_403	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_403	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_403	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_403	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_403	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_403	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_403	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_403	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_403	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_403	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_403	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_403	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_403	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_403	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_403	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_403	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_403	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_403	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_403	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_403	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_403	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_403	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_403	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_403	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_403	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_403	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_403	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_403	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_403	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_403	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_403	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_403	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_403	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_403	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_403	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_403	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_403	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_403	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_403	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_403	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_403	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_403	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_403	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_403	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_403	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_403	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_403	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_403	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_403	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_403	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_403	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_403	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_403	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_403	n1cc(C)ccc1	C108996
PUBCHEM_403	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_403	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_403	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_403	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_403	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_403	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_403	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_403	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_403	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_403	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_403	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_403	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_403	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_403	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_403	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_403	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_403	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_403	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_403	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_403	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_403	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_403	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_403	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_403	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_403	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_403	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_403	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_403	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_403	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_403	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_403	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_403	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_403	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_403	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_403	Nc1cccc(C)n1	C1824813
PUBCHEM_403	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_403	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_403	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_403	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_404	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_404	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_405	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_405	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_405	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_405	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_405	CC(=O)OCc1ccccc1	C140114
PUBCHEM_405	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_405	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_405	ClCOC	C107302
PUBCHEM_405	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_405	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_405	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_405	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_405	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_405	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_405	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_405	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_405	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_405	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_405	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_405	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_405	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_405	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_405	COc1ccc(cc1)O	C150765
PUBCHEM_405	NC(=O)OC	C598550
PUBCHEM_405	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_405	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_405	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_405	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_405	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_405	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_405	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_405	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_405	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_405	OCCOCCOCCOCCCC	C143226
PUBCHEM_405	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_405	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_405	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_405	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_405	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_405	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_405	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_405	CCCCCC(=O)OCC	C123660
PUBCHEM_405	COc1ccc(OC)cc1	C150787
PUBCHEM_405	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_405	O=C(OC(C)(C)C)C	C540885
PUBCHEM_405	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_405	C=CC(=O)OCCO	C818611
PUBCHEM_405	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_405	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_405	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_405	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_405	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_405	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_405	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_405	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_405	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_405	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_405	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_405	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_405	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_405	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_405	c1cccc(OC)c1O	C90051
PUBCHEM_405	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_405	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_405	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_405	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_405	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_405	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_405	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_405	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_405	CC(O)COC	C107982
PUBCHEM_405	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_405	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_405	O=C(OCCCC)C=C	C141322
PUBCHEM_405	C(OCCCC)C1CO1	C2426086
PUBCHEM_405	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_405	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_405	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_405	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_405	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_405	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_405	c1c(CO)occ1	C98000
PUBCHEM_405	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_405	O(C(C)C)C(=O)C	C108214
PUBCHEM_405	C1COCCN1	C110918
PUBCHEM_405	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_405	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_405	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_405	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_405	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_405	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_405	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_405	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_405	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_405	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_405	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_405	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_405	O=C1OCC(C)O1	C108327
PUBCHEM_405	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_405	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_405	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_405	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_405	O=C(C)OCCOCCCC	C112072
PUBCHEM_405	OCCOCCOCCOC	C112356
PUBCHEM_405	OCCOCCOCCOCCO	C112607
PUBCHEM_405	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_405	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_405	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_405	O=COC(C)C	C625558
PUBCHEM_405	OC(C)COc1ccccc1	C770354
PUBCHEM_405	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_405	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_405	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_405	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_405	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_405	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_405	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_405	OCCOCCC	C2807309
PUBCHEM_405	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_405	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_405	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_405	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_405	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_405	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_405	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_405	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_405	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_405	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_405	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_405	OCC1OCCC1	C97994
PUBCHEM_405	CN1CCOCC1	C109024
PUBCHEM_405	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_405	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_405	OC(C)COCCC	C1569013
PUBCHEM_405	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_405	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_405	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_405	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_405	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_405	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_405	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_405	OC(OCCCC)CC	C29387868
PUBCHEM_405	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_405	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_405	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_405	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_405	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_405	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_405	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_405	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_405	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_405	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_405	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_405	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_405	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_405	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_405	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_405	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_405	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_405	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_405	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_405	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_405	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_405	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_405	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_405	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_405	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_405	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_405	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_405	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_405	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_405	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_405	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_405	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_405	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_405	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_405	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_405	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_405	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_405	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_405	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_405	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_405	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_405	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_405	O=C(CC)OCC	C105373
PUBCHEM_405	O=C1OCC(CC)O1	C4437858
PUBCHEM_405	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_405	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_405	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_405	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_405	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_405	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_405	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_405	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_405	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_405	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_405	CC(O)COCC	C1569024
PUBCHEM_405	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_405	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_405	O=C1CCC(O1)CC	C695067
PUBCHEM_405	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_405	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_405	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_405	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_405	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_405	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_405	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_405	O1C=CCCC1	C110872
PUBCHEM_405	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_405	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_405	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_405	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_405	NCCCN1CCOCC1	C123002
PUBCHEM_405	O=C(CCC)OCCCCC	C540181
PUBCHEM_405	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_405	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_405	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_405	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_405	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_405	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_405	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_405	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_405	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_405	OCCOCC(CC)CCCC	C1559359
PUBCHEM_405	CCOC(OCC)OCC	C122510
PUBCHEM_405	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_405	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_405	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_405	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_405	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_405	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_405	OC(C)C(=O)OCCCC	C138227
PUBCHEM_405	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_405	Oc1c(OCC)cccc1	C94713
PUBCHEM_405	COc1ccc(CCC)cc1	C104450
PUBCHEM_405	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_405	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_405	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_405	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_405	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_405	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_405	O=C(C)OCCCCCCCC	C112141
PUBCHEM_405	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_405	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_405	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_405	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_405	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_405	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_405	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_405	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_405	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_405	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_405	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_405	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_405	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_405	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_405	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_405	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_405	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_405	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_405	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_405	OCCOCC(C)OCCO	C9003116
PUBCHEM_405	O=C1OC(CCC)CC1	C105215
PUBCHEM_405	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_405	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_405	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_405	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_405	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_405	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_405	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_405	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_405	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_405	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_405	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_405	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_405	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_405	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_405	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_405	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_405	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_405	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_405	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_405	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_405	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_405	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_405	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_405	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_405	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_405	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_405	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_405	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_405	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_405	c1ccccc1OCCO	C122996
PUBCHEM_405	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_405	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_405	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_405	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_405	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_405	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_405	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_405	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_405	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_405	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_405	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_405	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_405	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_405	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_405	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_405	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_405	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_405	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_405	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_405	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_405	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_405	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_405	OCCOC	C109864
PUBCHEM_405	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_405	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_405	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_405	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_405	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_405	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_405	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_405	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_405	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_405	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_405	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_405	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_405	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_405	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_405	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_405	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_405	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_405	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_405	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_405	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_405	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_405	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_405	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_405	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_405	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_405	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_405	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_405	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_405	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_405	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_405	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_405	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_405	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_405	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_405	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_405	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_405	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_405	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_405	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_405	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_405	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_405	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_405	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_405	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_405	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_405	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_405	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_405	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_405	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_405	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_405	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_405	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_405	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_405	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_405	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_405	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_405	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_405	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_405	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_405	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_405	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_405	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_405	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_405	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_405	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_405	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_405	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_405	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_405	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_405	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_405	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_405	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_405	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_405	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_405	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_405	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_405	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_405	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_405	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_405	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_405	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_405	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_405	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_405	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_405	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_405	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_405	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_405	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_405	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_405	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_405	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_405	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_405	c1coc2c1cccc2	C271896
PUBCHEM_405	ClCCOCCCl	C111444
PUBCHEM_405	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_405	O=C1CCCO1	C96480
PUBCHEM_405	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_405	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_405	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_405	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_405	Nc1cc(ccc1OC)C	C120718
PUBCHEM_405	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_405	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_405	OCCOCCO	C111466
PUBCHEM_405	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_405	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_405	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_405	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_405	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_405	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_405	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_405	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_405	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_405	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_405	O=Cc1ccco1	C98011
PUBCHEM_405	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_405	OCC1CO1	C556525
PUBCHEM_405	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_405	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_405	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_405	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_405	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_405	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_405	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_405	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_405	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_405	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_405	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_405	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_405	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_405	C1C(c2ccccc2)O1	C96093
PUBCHEM_405	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_405	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_405	OCCOCCOCCO	C112276
PUBCHEM_405	NC(=O)OCC	C51796
PUBCHEM_405	CCCCOCCOCCO	C112345
PUBCHEM_405	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_405	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_405	CC(=O)OCCOCC	C111159
PUBCHEM_405	CCOCCOCCO	C111900
PUBCHEM_405	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_405	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_405	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_405	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_405	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_405	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_405	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_405	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_405	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_405	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_405	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_405	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_405	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_405	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_405	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_405	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_405	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_405	Nc1c(OC)cccc1	C90040
PUBCHEM_405	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_405	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_405	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_405	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_405	CCOCCO	C110805
PUBCHEM_405	CCCCOCCO	C111762
PUBCHEM_405	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_405	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_405	OCCOCCOCCOCC	C112505
PUBCHEM_405	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_405	O(CCOC)CCOC	C111966
PUBCHEM_405	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_405	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_405	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_405	O(CCOC)CCO	C111773
PUBCHEM_405	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_405	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_405	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_405	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_405	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_405	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_405	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_405	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_405	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_405	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_405	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_405	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_405	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_405	C(OCCOC)COCCOC	C112492
PUBCHEM_405	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_405	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_405	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_405	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_405	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_405	O=C(OC)CCCCCCC	C111115
PUBCHEM_405	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_405	OCCOCCCCCC	C112254
PUBCHEM_405	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_405	O=C(C)OCCCCC	C628637
PUBCHEM_405	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_405	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_405	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_405	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_405	OC(OC(O)CC)CC	C25265718
PUBCHEM_405	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_405	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_405	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_405	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_405	OC(OCCCOC)CC	C34590948
PUBCHEM_405	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_405	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_405	O=C(OC)CC(=O)OC	C108598
PUBCHEM_405	CCC12N(COC1)COC2	C7747355
PUBCHEM_405	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_405	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_405	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_405	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_405	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_405	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_405	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_405	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_405	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_405	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_405	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_405	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_405	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_405	O=C(CCC)OCC	C105544
PUBCHEM_405	O=C(OCC)CCCCCC	C106309
PUBCHEM_405	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_405	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_405	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_405	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_405	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_405	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_405	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_405	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_405	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_405	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_405	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_405	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_405	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_405	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_405	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_405	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_405	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_405	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_405	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_405	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_405	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_405	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_405	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_405	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_405	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_405	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_405	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_405	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_405	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_405	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_405	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_405	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_405	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_405	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_405	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_405	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_405	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_405	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_405	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_405	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_405	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_405	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_405	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_405	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_405	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_405	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_405	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_405	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_405	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_405	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_405	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_405	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_405	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_405	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_405	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_405	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_405	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_405	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_405	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_405	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_405	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_405	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_405	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_405	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_405	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_405	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_405	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_405	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_405	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_405	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_405	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_405	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_405	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_405	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_405	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_405	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_405	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_405	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_405	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_405	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_405	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_405	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_405	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_405	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_405	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_405	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_405	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_405	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_405	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_405	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_405	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_405	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_405	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_405	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_405	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_405	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_405	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_405	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_405	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_405	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_405	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_405	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_405	NCCOCCOCCN	C929599
PUBCHEM_405	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_405	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_405	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_405	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_405	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_405	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_405	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_405	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_405	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_405	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_405	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_405	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_405	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_405	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_405	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_405	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_405	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_405	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_405	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_405	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_405	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_405	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_405	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_405	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_405	OCCC(OC)C	C2517433
PUBCHEM_405	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_405	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_405	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_405	O=COCC	C109944
PUBCHEM_405	O=C(OCC)c1ccccc1	C93890
PUBCHEM_405	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_405	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_405	CC(=O)OCC	C141786
PUBCHEM_405	CC(=O)OCCCC	C123864
PUBCHEM_405	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_405	CCC1CO1	C106887
PUBCHEM_405	CC1CC(=O)O1	C3068880
PUBCHEM_405	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_405	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_405	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_405	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_405	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_405	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_405	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_405	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_405	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_405	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_405	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_405	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_405	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_405	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_405	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_405	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_405	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_405	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_405	Nc1ccc(OC)cc1	C104949
PUBCHEM_405	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_405	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_405	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_405	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_405	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_405	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_405	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_405	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_405	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_405	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_405	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_405	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_405	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_405	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_405	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_405	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_405	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_405	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_405	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_405	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_405	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_405	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_405	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_405	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_405	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_405	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_405	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_405	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_405	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_405	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_405	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_405	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_405	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_405	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_405	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_405	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_405	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_405	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_405	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_405	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_405	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_405	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_405	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_405	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_405	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_405	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_405	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_405	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_405	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_405	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_405	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_405	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_405	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_405	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_405	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_405	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_405	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_405	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_405	O=C(OCCCCO)C=C	C2478106
PUBCHEM_405	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_405	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_405	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_405	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_405	NCCCOCCCCCCCC	C15930662
PUBCHEM_405	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_405	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_405	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_405	CC1COc2ccccc2N1	C32329207
PUBCHEM_405	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_405	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_405	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_405	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_405	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_405	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_405	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_405	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_405	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_405	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_405	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_405	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_405	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_405	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_405	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_405	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_405	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_405	CCCCCc1ccco1	C3777693
PUBCHEM_407	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_407	O=P(OC)(OC)OC	C512561
PUBCHEM_407	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_407	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_407	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_407	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_407	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_407	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_407	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_407	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_407	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_407	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_407	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_407	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_407	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_407	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_407	OP(OCC)OCC	C762049
PUBCHEM_407	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_407	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_407	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_407	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_407	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_407	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_407	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_407	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_407	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_407	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_407	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_407	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_407	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_407	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_407	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_407	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_407	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_407	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_407	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_407	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_407	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_407	NP(=O)(OC)SC	C10265926
PUBCHEM_407	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_407	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_407	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_407	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_407	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_407	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_407	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_407	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_407	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_407	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_407	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_407	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_407	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_407	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_407	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_407	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_407	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_407	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_407	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_407	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_407	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_407	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_407	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_407	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_407	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_407	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_407	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_407	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_407	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_407	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_407	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_407	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_407	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_407	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_407	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_407	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_407	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_407	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_407	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_407	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_407	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_407	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_407	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_409	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_409	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_409	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_409	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_409	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_409	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_409	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_409	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_409	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_409	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_409	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_409	c1c(CO)occ1	C98000
PUBCHEM_409	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_409	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_409	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_409	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_409	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_409	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_409	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_409	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_409	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_409	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_409	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_409	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_409	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_409	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_409	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_409	c1coc2c1cccc2	C271896
PUBCHEM_409	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_409	O=Cc1ccco1	C98011
PUBCHEM_409	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_409	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_409	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_409	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_409	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_409	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_409	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_409	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_409	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_409	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_409	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_409	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_409	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_409	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_409	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_409	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_409	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_409	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_409	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_409	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_409	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_409	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_409	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_409	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_409	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_409	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_409	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_409	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_409	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_409	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_409	CCCCCc1ccco1	C3777693
PUBCHEM_410	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_410	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_411	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_411	O=P(OC)(OC)OC	C512561
PUBCHEM_411	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_411	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_411	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_411	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_411	OP(=O)(O)O	C7664382
PUBCHEM_411	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_411	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_411	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_411	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_411	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_411	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_411	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_411	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_411	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_411	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_411	OP(OCC)OCC	C762049
PUBCHEM_411	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_411	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_411	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_411	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_411	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_411	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_411	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_411	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_411	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_411	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_411	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_411	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_411	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_411	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_411	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_411	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_411	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_411	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_411	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_411	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_411	ClCCP(=O)(O)O	C16672870
PUBCHEM_411	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_411	NP(=O)(OC)SC	C10265926
PUBCHEM_411	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_411	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_411	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_411	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_411	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_411	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_411	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_411	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_411	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_411	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_411	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_411	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_411	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_411	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_411	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_411	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_411	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_411	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_411	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_411	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_411	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_411	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_411	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_411	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_411	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_411	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	C563122
PUBCHEM_411	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_411	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_411	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_411	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_411	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_411	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_411	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_411	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_411	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_411	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_411	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_411	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_411	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_411	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_411	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_411	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_411	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_412	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_412	CS(=O)C	C67685
PUBCHEM_412	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_412	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_412	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_412	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_412	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_412	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_412	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_412	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_412	c1ccc2ncsc2c1	C95169
PUBCHEM_412	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_412	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_412	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_412	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_412	OCCSCCCCCCCC	C3547339
PUBCHEM_412	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_412	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_412	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_412	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_412	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_412	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_412	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_412	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_412	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_412	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_412	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_412	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_412	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_412	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_412	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_412	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_412	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_412	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_412	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_412	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_412	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_412	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_412	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_412	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_412	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_412	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_412	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_412	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_412	CN1CN(C)CSC1=S	C533744
PUBCHEM_412	C(SC#N)SC#N	C6317186
PUBCHEM_412	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_412	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_412	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_412	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_412	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_412	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_412	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_412	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_412	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_412	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_412	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_412	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_412	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_412	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_412	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_412	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_412	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_412	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_412	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_412	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_412	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_412	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_412	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_412	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_412	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_412	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_412	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_412	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_412	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_412	ON=CC(C)(C)SC	C1646759
PUBCHEM_412	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_412	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_412	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_412	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_412	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_412	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_412	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_412	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_412	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_412	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_412	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_412	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_412	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_412	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_412	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_412	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_412	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_412	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_412	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_412	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_412	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_412	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_412	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_412	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_412	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_412	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_412	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_412	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_412	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_412	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_412	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_412	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_412	O=CCCSC	C3268493
PUBCHEM_412	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_412	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_412	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_412	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_412	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_412	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_412	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_412	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_412	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_412	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_412	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_412	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_412	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_412	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_412	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_412	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_412	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_412	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_412	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_412	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_412	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_412	S=C=NCCCSC	C505793
PUBCHEM_412	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_412	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_412	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_412	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_414	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_414	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_414	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_414	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_414	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_414	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_414	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_414	CS(=O)C	C67685
PUBCHEM_414	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_414	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_414	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_414	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_414	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_414	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_414	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_414	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_414	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_414	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_414	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_414	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_414	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_414	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_414	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_414	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_414	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_414	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_414	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_414	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_414	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_414	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_414	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_414	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_414	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_414	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_414	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_414	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_414	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_414	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_414	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_414	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_414	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_414	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_414	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_414	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_414	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_414	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_414	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_414	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_414	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_414	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_414	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_414	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_414	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_414	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_414	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_414	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_414	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_414	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_414	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_414	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_414	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_414	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_414	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_414	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_414	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_414	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_414	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_414	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_414	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_414	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_414	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_414	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_414	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_414	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_414	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_414	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_414	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_414	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_414	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_414	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_414	CS(=O)(=O)OC	C66273
PUBCHEM_414	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_414	O=S1(=O)CCCO1	C1120714
PUBCHEM_414	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_414	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_414	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_414	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_414	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_414	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_414	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_414	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_414	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_414	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_414	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_414	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_414	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_414	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_414	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_414	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_414	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_414	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_414	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_414	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_414	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_414	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_414	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_414	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_414	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_414	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_414	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_414	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_414	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_414	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_414	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_414	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_414	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_414	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_414	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_414	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_414	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_414	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_414	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_414	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_414	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_414	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_414	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_414	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_414	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_414	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_414	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_414	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_414	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_414	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_414	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_414	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_414	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_414	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_414	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_414	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_414	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_414	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_414	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_414	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_414	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_414	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_414	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_414	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_414	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_414	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_414	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_414	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_414	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_414	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_414	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_414	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_414	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_414	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_414	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_414	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_414	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_414	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_414	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_414	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_414	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_414	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_414	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_414	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_415	C[Si](=O)C	C9016006
PUBCHEM_415	N([Si](C)(C)C)[Si](C)(C)C	C999973
PUBCHEM_415	C[Si](C)(C)O[Si](C)(C)C	C107460
PUBCHEM_415	C[Si](C)(C)O[SiH](C)O[Si](C)(C)C	C1873887
PUBCHEM_415	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_415	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_415	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_415	C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	C107517
PUBCHEM_415	CO[Si](C)(C)OC	C1112396
PUBCHEM_415	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_415	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C556672
PUBCHEM_415	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	C541026
PUBCHEM_415	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1	C541059
PUBCHEM_416	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_416	C=CC#N	C107131
PUBCHEM_416	C=CCO	C107186
PUBCHEM_416	C=CCN=C=S	C57067
PUBCHEM_416	Nc1ccccc1.Cl	C142041
PUBCHEM_416	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_416	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_416	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_416	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_416	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_416	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_416	CC(=O)OCc1ccccc1	C140114
PUBCHEM_416	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_416	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_416	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_416	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_416	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_416	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_416	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_416	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_416	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_416	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_416	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_416	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_416	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_416	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_416	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_416	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_416	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_416	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_416	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_416	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_416	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_416	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_416	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_416	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_416	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_416	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_416	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_416	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_416	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_416	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_416	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_416	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_416	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_416	c1cccc2[nH]ccc12	C120729
PUBCHEM_416	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_416	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_416	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_416	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_416	COc1ccc(cc1)O	C150765
PUBCHEM_416	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_416	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_416	C=Cc1ccc(cc1)C	C622979
PUBCHEM_416	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_416	NC(=O)c1cccnc1	C98920
PUBCHEM_416	OC(=O)c1cccnc1	C59676
PUBCHEM_416	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_416	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_416	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_416	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_416	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_416	Nc1ccc(cc1)N	C106503
PUBCHEM_416	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_416	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_416	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_416	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_416	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_416	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_416	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_416	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_416	Nc1ccccc1C.Cl	C636215
PUBCHEM_416	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_416	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_416	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_416	O=CCc1ccccc1	C122781
PUBCHEM_416	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_416	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_416	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_416	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_416	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_416	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_416	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_416	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_416	O=Cc1ccccc1O	C90028
PUBCHEM_416	Oc1cccc2ccccc12	C90153
PUBCHEM_416	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_416	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_416	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_416	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_416	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_416	Oc1ccc(Cl)cc1	C106489
PUBCHEM_416	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_416	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_416	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_416	Oc1ccc(CC)cc1	C123079
PUBCHEM_416	COc1ccc(OC)cc1	C150787
PUBCHEM_416	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_416	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_416	Oc1ccc(CCC)cc1	C645567
PUBCHEM_416	C=CC(Cl)CCl	C760236
PUBCHEM_416	C=CC(=O)OCCO	C818611
PUBCHEM_416	CC/C=C\CCO	C928961
PUBCHEM_416	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_416	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_416	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_416	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_416	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_416	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_416	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_416	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_416	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_416	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_416	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_416	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_416	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_416	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_416	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_416	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_416	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_416	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_416	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_416	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_416	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_416	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_416	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_416	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_416	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_416	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_416	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_416	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_416	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_416	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_416	c1(c(CC)cccc1)O	C90006
PUBCHEM_416	c1c(O)cccc1CC	C620177
PUBCHEM_416	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_416	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_416	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_416	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_416	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_416	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_416	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_416	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_416	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_416	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_416	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_416	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_416	c1cccc(OC)c1O	C90051
PUBCHEM_416	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_416	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_416	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_416	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_416	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_416	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_416	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_416	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_416	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_416	Cl/C=C/Cl	C156605
PUBCHEM_416	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_416	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_416	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_416	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_416	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_416	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_416	CC(=C)C#N	C126987
PUBCHEM_416	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_416	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_416	Cc1cc(O)ccc1	C108394
PUBCHEM_416	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_416	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_416	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_416	c1ccc2ncsc2c1	C95169
PUBCHEM_416	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_416	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_416	O=C(OCCCC)C=C	C141322
PUBCHEM_416	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_416	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_416	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_416	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_416	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_416	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_416	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_416	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_416	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_416	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_416	Cc1c(C)cccc1O	C526750
PUBCHEM_416	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_416	C=Cc1ccccc1C=C	C1321740
PUBCHEM_416	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_416	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_416	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_416	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_416	CCC(=CCCC)C=O	C645625
PUBCHEM_416	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_416	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_416	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_416	c1c(CO)occ1	C98000
PUBCHEM_416	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_416	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_416	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_416	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_416	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_416	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_416	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_416	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_416	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_416	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_416	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_416	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_416	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_416	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_416	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_416	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_416	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_416	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_416	c12ccccc1CCCC2	C119642
PUBCHEM_416	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_416	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_416	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_416	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_416	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_416	Cc1cccc(C)c1	C108383
PUBCHEM_416	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_416	OCCc1ccccc1	C60128
PUBCHEM_416	O=C(O)c1ccccc1O	C69727
PUBCHEM_416	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_416	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_416	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_416	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_416	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_416	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_416	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_416	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_416	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_416	Sc1ccccc1	C108985
PUBCHEM_416	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_416	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_416	Oc1ccc2ccccc2c1	C135193
PUBCHEM_416	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_416	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_416	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_416	Brc1ccc(F)cc1	C460004
PUBCHEM_416	C1=CC=CC1	C542927
PUBCHEM_416	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_416	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_416	ClP(c1ccccc1)Cl	C644973
PUBCHEM_416	OC(C)COc1ccccc1	C770354
PUBCHEM_416	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_416	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_416	Nc1cccc(C)c1C	C1300738
PUBCHEM_416	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_416	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_416	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_416	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_416	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_416	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_416	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_416	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_416	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_416	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_416	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_416	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_416	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_416	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_416	Nc1c(C)cccc1CC	C24549062
PUBCHEM_416	Clc1cccc(C)c1	C25168052
PUBCHEM_416	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_416	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_416	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_416	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_416	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_416	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_416	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_416	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_416	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_416	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_416	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_416	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_416	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_416	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_416	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_416	O=C(C=C(C)C)C	C141797
PUBCHEM_416	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_416	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_416	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_416	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_416	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_416	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_416	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_416	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_416	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_416	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_416	n1c[nH]cc1	C288324
PUBCHEM_416	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_416	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_416	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_416	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_416	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_416	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_416	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_416	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_416	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_416	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_416	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_416	OCn1nc(C)cc1C	C85264331
PUBCHEM_416	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_416	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_416	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_416	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_416	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_416	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_416	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_416	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_416	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_416	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_416	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_416	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_416	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_416	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_416	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_416	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_416	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_416	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_416	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_416	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_416	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_416	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_416	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_416	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_416	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_416	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_416	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_416	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_416	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_416	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_416	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_416	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_416	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_416	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_416	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_416	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_416	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_416	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_416	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_416	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_416	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_416	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_416	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_416	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_416	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_416	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_416	OC(CCCCC)C=C	C3391864
PUBCHEM_416	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_416	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_416	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_416	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_416	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_416	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_416	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_416	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_416	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_416	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_416	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_416	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_416	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_416	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_416	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_416	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_416	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_416	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_416	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_416	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_416	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_416	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_416	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_416	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_416	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_416	C=C[Si]1(C)O[Si](C=C)(C)O[Si](C=C)(C)O[Si](C=C)(C)O1	C2554065
PUBCHEM_416	C[Si](C=C)(C)O[Si](C)(C)C=C	C2627954
PUBCHEM_416	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_416	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_416	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_416	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_416	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_416	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_416	O=C(c1ccccc1O)C	C118934
PUBCHEM_416	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_416	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_416	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_416	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_416	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_416	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_416	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_416	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_416	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_416	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_416	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_416	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_416	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_416	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_416	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_416	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_416	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_416	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_416	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_416	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_416	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_416	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_416	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_416	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_416	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_416	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_416	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_416	Oc1ccccc1CN(C)C	C120650
PUBCHEM_416	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_416	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_416	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_416	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_416	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_416	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_416	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_416	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_416	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_416	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_416	O=C/C=C/CCC	C6728263
PUBCHEM_416	O1C=CCCC1	C110872
PUBCHEM_416	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_416	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_416	OCC=Cc1ccccc1	C104541
PUBCHEM_416	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_416	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_416	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_416	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_416	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_416	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_416	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_416	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_416	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_416	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_416	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_416	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_416	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_416	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_416	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_416	N#Cc1c(O)cccc1	C611201
PUBCHEM_416	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_416	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_416	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_416	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_416	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_416	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_416	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_416	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_416	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_416	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_416	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_416	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_416	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_416	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_416	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_416	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_416	c12ccccc1CC=C2	C95136
PUBCHEM_416	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_416	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_416	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_416	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_416	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_416	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_416	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_416	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_416	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_416	Oc1c(OCC)cccc1	C94713
PUBCHEM_416	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_416	COc1ccc(CCC)cc1	C104450
PUBCHEM_416	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_416	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_416	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_416	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_416	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_416	OC(CO)c1ccccc1	C93561
PUBCHEM_416	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_416	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_416	O=C(N)Nc1ccccc1	C64108
PUBCHEM_416	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_416	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_416	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_416	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_416	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_416	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_416	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_416	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_416	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_416	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_416	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_416	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_416	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_416	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_416	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_416	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_416	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_416	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_416	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_416	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_416	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_416	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_416	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_416	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_416	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_416	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_416	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_416	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_416	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_416	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_416	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_416	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_416	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_416	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_416	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_416	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_416	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_416	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_416	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_416	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_416	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_416	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_416	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_416	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_416	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_416	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_416	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_416	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_416	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_416	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_416	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_416	Sc1ccc(C)cc1	C106456
PUBCHEM_416	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_416	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_416	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_416	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_416	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_416	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_416	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_416	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_416	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_416	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_416	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_416	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_416	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_416	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_416	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_416	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_416	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_416	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_416	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_416	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_416	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_416	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_416	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_416	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_416	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_416	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_416	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_416	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_416	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_416	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_416	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_416	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_416	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_416	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_416	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_416	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_416	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_416	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_416	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_416	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_416	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_416	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_416	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_416	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_416	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_416	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_416	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_416	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_416	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_416	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_416	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_416	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_416	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_416	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_416	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_416	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_416	c1ccccc1OCCO	C122996
PUBCHEM_416	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_416	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_416	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_416	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_416	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_416	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_416	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_416	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_416	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_416	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_416	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_416	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_416	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_416	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_416	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_416	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_416	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_416	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_416	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_416	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_416	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_416	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_416	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_416	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_416	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_416	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_416	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_416	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_416	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_416	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_416	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_416	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_416	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_416	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_416	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_416	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_416	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_416	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_416	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_416	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_416	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_416	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_416	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_416	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_416	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_416	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_416	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_416	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_416	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_416	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_416	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_416	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_416	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_416	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_416	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_416	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_416	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_416	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_416	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_416	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_416	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_416	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_416	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_416	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_416	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_416	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_416	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_416	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_416	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_416	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_416	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_416	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_416	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_416	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_416	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_416	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_416	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_416	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_416	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_416	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_416	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_416	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_416	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_416	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_416	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_416	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_416	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_416	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_416	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_416	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_416	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_416	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_416	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_416	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_416	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_416	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_416	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_416	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_416	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_416	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_416	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_416	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_416	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_416	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_416	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_416	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_416	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_416	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_416	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_416	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_416	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_416	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_416	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_416	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_416	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_416	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_416	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_416	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_416	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_416	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_416	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_416	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_416	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_416	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_416	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_416	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_416	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_416	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_416	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_416	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_416	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_416	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_416	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_416	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_416	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_416	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_416	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_416	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_416	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_416	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_416	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_416	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_416	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_416	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_416	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_416	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_416	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_416	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_416	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_416	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_416	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_416	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_416	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_416	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_416	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_416	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_416	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_416	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_416	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_416	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_416	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_416	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_416	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_416	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_416	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_416	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_416	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_416	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_416	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_416	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_416	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_416	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_416	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_416	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_416	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_416	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_416	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_416	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_416	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_416	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_416	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_416	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_416	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_416	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_416	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_416	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_416	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_416	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_416	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_416	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_416	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_416	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_416	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_416	NC(=O)C=C	C79061
PUBCHEM_416	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_416	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_416	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_416	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_416	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_416	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_416	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_416	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_416	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_416	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_416	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_416	c1coc2c1cccc2	C271896
PUBCHEM_416	OC(=O)c1ccccc1	C65850
PUBCHEM_416	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_416	OCc1ccccc1	C100516
PUBCHEM_416	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_416	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_416	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_416	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_416	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_416	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_416	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_416	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_416	Oc1c(cccc1)O	C120809
PUBCHEM_416	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_416	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_416	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_416	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_416	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_416	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_416	O=C(c1ccccc1)CCl	C532274
PUBCHEM_416	Nc1ccc(cc1)Cl	C106478
PUBCHEM_416	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_416	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_416	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_416	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_416	Nc1cc(ccc1OC)C	C120718
PUBCHEM_416	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_416	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_416	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_416	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_416	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_416	Clc1c(cccc1)Cl	C95501
PUBCHEM_416	Clc1ccc(cc1)Cl	C106467
PUBCHEM_416	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_416	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_416	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_416	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_416	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_416	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_416	CN(c1ccccc1)C	C121697
PUBCHEM_416	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_416	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_416	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_416	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_416	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_416	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_416	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_416	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_416	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_416	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_416	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_416	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_416	O=Cc1ccco1	C98011
PUBCHEM_416	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_416	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_416	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_416	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_416	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_416	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_416	Oc1ccc(cc1)O	C123319
PUBCHEM_416	Oc1cccc2cccnc12	C148243
PUBCHEM_416	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_416	O=C(c1ccncc1)NN	C54853
PUBCHEM_416	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_416	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_416	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_416	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_416	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_416	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_416	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_416	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_416	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_416	Cc1cc2cccnc2cc1	C91623
PUBCHEM_416	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_416	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_416	c1c2c(ccc1)cccc2	C91203
PUBCHEM_416	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_416	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_416	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_416	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_416	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_416	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_416	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_416	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_416	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_416	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_416	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_416	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_416	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_416	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_416	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_416	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_416	Oc1ccccc1	C108952
PUBCHEM_416	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_416	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_416	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_416	Nc1cc(ccc1)N	C108452
PUBCHEM_416	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_416	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_416	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_416	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_416	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_416	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_416	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_416	Oc1cc(ccc1)O	C108463
PUBCHEM_416	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_416	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_416	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_416	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_416	OC(=O)C=CC=CC	C110441
PUBCHEM_416	C1C(c2ccccc2)O1	C96093
PUBCHEM_416	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_416	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_416	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_416	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_416	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_416	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_416	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_416	O=C1N(C=C)CCC1	C88120
PUBCHEM_416	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_416	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_416	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_416	Oc1ccccc1Cl	C95578
PUBCHEM_416	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_416	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_416	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_416	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_416	n1cccc2c1cccc2	C91225
PUBCHEM_416	CCN(CC)c1ccccc1	C91667
PUBCHEM_416	Oc1c(C)cccc1	C95487
PUBCHEM_416	c1ccccc1C(=O)C	C98862
PUBCHEM_416	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_416	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_416	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_416	CCNc1cc(C)ccc1	C102272
PUBCHEM_416	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_416	Oc1ccc(C)cc1	C106445
PUBCHEM_416	Nc1ccc(C)cc1	C106490
PUBCHEM_416	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_416	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_416	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_416	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_416	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_416	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_416	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_416	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_416	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_416	Clc1cc(Cl)ccc1	C541731
PUBCHEM_416	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_416	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_416	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_416	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_416	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_416	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_416	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_416	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_416	c1(CCCC)ccccc1	C104518
PUBCHEM_416	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_416	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_416	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_416	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_416	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_416	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_416	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_416	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_416	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_416	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_416	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_416	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_416	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_416	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_416	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_416	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_416	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_416	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_416	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_416	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_416	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_416	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_416	Nc1c(OC)cccc1	C90040
PUBCHEM_416	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_416	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_416	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_416	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_416	Cc1ccccc1Cl	C95498
PUBCHEM_416	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_416	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_416	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_416	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_416	Oc1c(cccc1C)C	C576261
PUBCHEM_416	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_416	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_416	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_416	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_416	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_416	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_416	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_416	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_416	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_416	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_416	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_416	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_416	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_416	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_416	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_416	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_416	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_416	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_416	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_416	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_416	Cc1ccc(Cl)cc1	C106434
PUBCHEM_416	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_416	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_416	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_416	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_416	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_416	Nc1cc(C)ccc1N	C496720
PUBCHEM_416	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_416	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_416	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_416	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_416	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_416	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_416	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_416	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_416	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_416	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_416	N(c1ccccc1)CC	C103695
PUBCHEM_416	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_416	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_416	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_416	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_416	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_416	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_416	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_416	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_416	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_416	Nc1c(N)cccc1	C95545
PUBCHEM_416	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_416	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_416	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_416	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_416	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_416	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_416	Nc1c(cccc1)C	C95534
PUBCHEM_416	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_416	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_416	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_416	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_416	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_416	Nc1c(cccc1C)C	C87627
PUBCHEM_416	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_416	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_416	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_416	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_416	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_416	N#Cc1cnccc1	C100549
PUBCHEM_416	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_416	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_416	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_416	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_416	Nc1cccc(C)c1	C108441
PUBCHEM_416	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_416	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_416	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_416	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_416	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_416	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_416	Nc1c(CC)cccc1CC	C579668
PUBCHEM_416	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_416	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_416	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_416	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_416	Nc1cccc(C)c1N	C2687254
PUBCHEM_416	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_416	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_416	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_416	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_416	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_416	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_416	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_416	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_416	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_416	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_416	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_416	O=C(N)C(=C)C	C79390
PUBCHEM_416	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_416	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_416	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_416	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_416	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_416	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_416	O=Cc1ccccc1C=O	C643798
PUBCHEM_416	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_416	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_416	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_416	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_416	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_416	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_416	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_416	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_416	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_416	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_416	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_416	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_416	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_416	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_416	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_416	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_416	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_416	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_416	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_416	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_416	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_416	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_416	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_416	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_416	CCCc1ccccc1	C103651
PUBCHEM_416	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_416	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_416	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_416	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_416	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_416	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_416	CC(C)(C)c1ccccc1	C98066
PUBCHEM_416	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_416	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_416	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_416	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_416	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_416	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_416	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_416	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_416	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_416	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_416	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_416	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_416	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_416	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_416	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_416	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_416	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_416	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_416	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_416	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_416	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_416	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_416	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_416	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_416	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_416	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_416	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_416	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_416	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_416	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_416	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_416	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_416	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_416	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_416	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_416	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_416	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_416	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_416	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_416	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_416	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_416	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_416	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_416	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_416	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_416	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_416	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_416	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_416	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_416	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_416	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_416	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_416	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_416	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_416	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_416	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_416	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_416	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_416	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_416	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_416	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_416	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_416	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_416	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_416	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_416	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_416	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_416	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_416	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_416	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_416	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_416	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_416	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_416	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_416	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_416	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_416	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_416	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_416	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_416	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_416	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_416	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_416	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_416	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_416	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_416	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_416	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_416	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_416	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_416	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_416	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_416	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_416	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_416	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_416	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_416	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_416	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_416	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_416	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_416	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_416	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_416	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_416	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_416	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_416	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_416	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_416	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_416	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_416	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_416	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_416	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_416	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_416	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_416	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_416	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_416	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_416	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_416	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_416	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_416	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_416	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_416	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_416	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_416	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_416	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_416	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_416	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_416	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_416	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_416	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_416	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_416	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_416	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_416	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_416	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_416	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_416	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_416	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_416	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_416	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_416	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_416	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_416	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_416	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_416	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_416	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_416	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_416	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_416	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_416	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_416	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_416	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_416	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_416	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_416	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_416	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_416	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_416	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_416	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_416	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_416	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_416	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_416	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_416	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_416	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_416	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_416	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_416	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_416	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_416	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_416	O=C(OCC)c1ccccc1	C93890
PUBCHEM_416	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_416	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_416	NCc1cccc(CN)c1	C1477550
PUBCHEM_416	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_416	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_416	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_416	n1cc(C)ccc1	C108996
PUBCHEM_416	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_416	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_416	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_416	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_416	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_416	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_416	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_416	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_416	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_416	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_416	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_416	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_416	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_416	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_416	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_416	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_416	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_416	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_416	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_416	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_416	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_416	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_416	NNc1ccccc1.Cl	C59881
PUBCHEM_416	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_416	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_416	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_416	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_416	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_416	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_416	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_416	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_416	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_416	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_416	N#Cc1ccccc1	C100470
PUBCHEM_416	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_416	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_416	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_416	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_416	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_416	Nc1ccc(Br)cc1	C106401
PUBCHEM_416	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_416	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_416	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_416	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_416	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_416	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_416	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_416	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_416	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_416	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_416	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_416	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_416	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_416	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_416	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_416	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_416	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_416	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_416	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_416	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_416	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_416	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_416	Nc1ccc(OC)cc1	C104949
PUBCHEM_416	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_416	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_416	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_416	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_416	O=CC=CC=CCCCCC	C25152845
PUBCHEM_416	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_416	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_416	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_416	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_416	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_416	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_416	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_416	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_416	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_416	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_416	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_416	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_416	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_416	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_416	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_416	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_416	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_416	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_416	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_416	OCC=C(C)C	C556821
PUBCHEM_416	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_416	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_416	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_416	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_416	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_416	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_416	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_416	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_416	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_416	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_416	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_416	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_416	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_416	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_416	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_416	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_416	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_416	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_416	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_416	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_416	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_416	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_416	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_416	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_416	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_416	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_416	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_416	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_416	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_416	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_416	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_416	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_416	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_416	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_416	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_416	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_416	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_416	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_416	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_416	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_416	O=CCCCCCCCCC=C	C112458
PUBCHEM_416	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_416	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_416	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_416	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_416	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_416	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_416	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_416	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_416	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_416	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_416	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_416	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_416	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_416	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_416	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_416	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_416	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_416	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_416	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_416	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_416	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_416	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_416	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_416	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_416	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_416	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_416	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_416	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_416	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_416	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_416	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_416	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_416	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_416	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_416	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_416	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_416	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_416	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_416	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_416	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_416	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_416	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_416	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_416	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_416	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_416	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_416	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_416	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_416	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_416	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_416	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_416	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_416	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_416	Cl[Hg]c1ccccc1	C100561
PUBCHEM_416	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_416	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_416	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_416	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_416	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_416	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_416	O=[As]c1ccccc1	C637036
PUBCHEM_416	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_416	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_416	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_416	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_416	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_416	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_416	IC(=C(I)I)I	C513928
PUBCHEM_416	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_416	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_416	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_416	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_416	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_416	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_416	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_416	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_416	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_416	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_416	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_416	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_416	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_416	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_416	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_416	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_416	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_416	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_416	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_416	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_416	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_416	O=C(OCCCCO)C=C	C2478106
PUBCHEM_416	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_416	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_416	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_416	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_416	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_416	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_416	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_416	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_416	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_416	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_416	Nc1cccc(C)n1	C1824813
PUBCHEM_416	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_416	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_416	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_416	CC1COc2ccccc2N1	C32329207
PUBCHEM_416	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_416	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_416	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_416	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_416	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_416	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_416	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_416	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_416	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_416	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_416	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_416	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_416	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_416	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_416	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_416	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_416	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_416	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_416	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_416	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_416	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_416	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_416	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_416	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_416	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_416	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_416	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_416	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_416	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_416	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_416	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_416	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_416	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_416	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_416	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_416	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_416	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_416	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_416	CCCCCc1ccco1	C3777693
PUBCHEM_416	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_417	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_417	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_417	C(O)C#CCO	C110656
PUBCHEM_417	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_417	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_417	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_417	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_417	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_417	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_417	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_417	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_417	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_417	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_417	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_417	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_417	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_417	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_417	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_417	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_417	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_417	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_417	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_418	C=CCN=C=S	C57067
PUBCHEM_418	c1(nc[nH]n1)N	C61825
PUBCHEM_418	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_418	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_418	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_418	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_418	NC(=N)NC#N	C461585
PUBCHEM_418	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_418	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_418	c1cccc2[nH]ccc12	C120729
PUBCHEM_418	NC(=O)c1cccnc1	C98920
PUBCHEM_418	OC(=O)c1cccnc1	C59676
PUBCHEM_418	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_418	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_418	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_418	ON=C1CCCCC1	C100641
PUBCHEM_418	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_418	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_418	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_418	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_418	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_418	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_418	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_418	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_418	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_418	c1ccc2ncsc2c1	C95169
PUBCHEM_418	ON=CCCC	C110690
PUBCHEM_418	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_418	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_418	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_418	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_418	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_418	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_418	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_418	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_418	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_418	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_418	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_418	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_418	n1c[nH]cc1	C288324
PUBCHEM_418	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_418	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_418	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_418	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_418	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_418	OCn1nc(C)cc1C	C85264331
PUBCHEM_418	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_418	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_418	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_418	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_418	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_418	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_418	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_418	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_418	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_418	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_418	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_418	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_418	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_418	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_418	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_418	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_418	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_418	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_418	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_418	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_418	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_418	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_418	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_418	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_418	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_418	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_418	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_418	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_418	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_418	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_418	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_418	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_418	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_418	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_418	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_418	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_418	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_418	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_418	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_418	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_418	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_418	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_418	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_418	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_418	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_418	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_418	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_418	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_418	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_418	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_418	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_418	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_418	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_418	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_418	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_418	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_418	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_418	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_418	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_418	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_418	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_418	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_418	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_418	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_418	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_418	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_418	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_418	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_418	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_418	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_418	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_418	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_418	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_418	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_418	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_418	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_418	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_418	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_418	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_418	S=C=NC	C556616
PUBCHEM_418	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_418	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_418	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_418	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_418	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_418	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_418	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_418	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_418	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_418	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_418	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_418	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_418	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_418	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_418	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_418	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_418	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_418	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_418	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_418	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_418	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_418	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_418	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_418	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_418	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_418	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_418	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_418	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_418	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_418	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_418	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_418	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_418	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_418	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_418	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_418	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_418	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_418	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_418	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_418	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_418	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_418	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_418	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_418	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_418	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_418	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_418	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_418	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_418	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_418	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_418	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_418	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_418	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_418	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_418	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_418	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_418	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_418	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_418	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_418	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_418	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_418	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_418	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_418	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_418	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_418	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_418	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_418	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_418	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_418	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_418	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_418	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_418	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_418	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_418	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_418	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_418	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_418	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_418	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_418	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_418	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_418	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_418	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_418	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_418	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_418	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_418	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_418	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_418	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_418	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_418	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_418	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_418	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_418	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_418	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_418	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_418	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_418	Oc1cccc2cccnc12	C148243
PUBCHEM_418	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_418	O=C(c1ccncc1)NN	C54853
PUBCHEM_418	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_418	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_418	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_418	Cc1cc2cccnc2cc1	C91623
PUBCHEM_418	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_418	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_418	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_418	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_418	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_418	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_418	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_418	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_418	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_418	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_418	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_418	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_418	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_418	n1cccc2c1cccc2	C91225
PUBCHEM_418	CCC(=NO)C	C96297
PUBCHEM_418	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_418	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_418	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_418	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_418	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_418	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_418	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_418	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_418	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_418	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_418	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_418	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_418	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_418	ON=CC(C)(C)SC	C1646759
PUBCHEM_418	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_418	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_418	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_418	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_418	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_418	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_418	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_418	N#Cc1cnccc1	C100549
PUBCHEM_418	[nH]1ncnc1	C288880
PUBCHEM_418	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_418	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_418	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_418	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_418	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_418	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_418	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_418	Nn1cnnc1	C584134
PUBCHEM_418	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_418	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_418	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_418	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_418	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_418	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_418	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_418	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_418	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_418	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_418	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_418	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_418	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_418	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_418	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_418	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_418	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_418	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_418	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_418	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_418	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_418	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_418	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_418	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_418	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_418	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_418	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_418	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_418	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_418	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_418	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_418	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_418	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_418	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_418	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_418	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_418	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_418	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_418	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_418	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_418	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_418	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_418	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_418	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_418	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_418	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_418	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_418	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_418	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_418	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_418	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_418	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_418	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_418	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_418	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_418	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_418	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_418	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_418	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_418	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_418	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_418	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_418	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_418	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_418	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_418	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_418	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_418	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_418	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_418	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_418	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_418	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_418	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_418	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_418	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_418	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_418	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_418	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_418	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_418	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_418	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_418	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_418	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_418	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_418	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_418	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_418	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_418	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_418	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_418	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_418	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_418	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_418	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_418	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_418	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_418	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_418	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_418	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_418	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_418	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_418	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_418	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_418	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_418	n1cc(C)ccc1	C108996
PUBCHEM_418	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_418	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_418	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_418	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_418	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_418	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_418	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_418	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_418	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_418	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_418	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_418	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_418	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_418	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_418	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_418	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_418	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_418	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_418	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_418	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_418	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_418	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_418	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_418	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_418	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_418	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_418	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_418	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_418	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_418	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_418	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_418	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_418	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_418	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_418	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_418	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_418	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_418	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_418	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_418	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_418	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_418	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_418	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_418	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_418	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_418	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_418	Nc1cccc(C)n1	C1824813
PUBCHEM_418	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_418	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_418	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_418	S=C=NCCCSC	C505793
PUBCHEM_418	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_418	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_418	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_419	C=CC#N	C107131
PUBCHEM_419	NC(=N)NC#N	C461585
PUBCHEM_419	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_419	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_419	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_419	N#CCC#N	C109773
PUBCHEM_419	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_419	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_419	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_419	CC(=C)C#N	C126987
PUBCHEM_419	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_419	C(C)(C)(O)C#N	C75865
PUBCHEM_419	N#CC(CCC#N)C	C4553622
PUBCHEM_419	N#CC(C)C	C78820
PUBCHEM_419	N#C[S-].[NH4+]	C1762954
PUBCHEM_419	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_419	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_419	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_419	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_419	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_419	N#Cc1c(O)cccc1	C611201
PUBCHEM_419	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_419	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_419	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_419	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_419	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_419	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_419	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_419	C(SC#N)SC#N	C6317186
PUBCHEM_419	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_419	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_419	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_419	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_419	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_419	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_419	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_419	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_419	N#CN	C420042
PUBCHEM_419	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_419	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_419	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_419	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_419	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_419	N#CCCCCC#N	C111693
PUBCHEM_419	N#Cc1cnccc1	C100549
PUBCHEM_419	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_419	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_419	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_419	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_419	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_419	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_419	N#CC(Br)Br	C3252435
PUBCHEM_419	N#Cc1ccccc1	C100470
PUBCHEM_419	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_419	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_419	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_419	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_419	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_419	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_419	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_419	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_419	N#C[Au-]C#N.[K+]	C13967505
PUBCHEM_419	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_419	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_419	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_419	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_420	CC(=O)N	C60355
PUBCHEM_420	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_420	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_420	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_420	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_420	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_420	CC(=O)OCc1ccccc1	C140114
PUBCHEM_420	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_420	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_420	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_420	O=CCCl	C107200
PUBCHEM_420	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_420	O=C1CCCCC1	C108941
PUBCHEM_420	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_420	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_420	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_420	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_420	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_420	CN(C)C(=O)C	C127195
PUBCHEM_420	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_420	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_420	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_420	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_420	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_420	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_420	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_420	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_420	NC(=O)OC	C598550
PUBCHEM_420	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_420	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_420	NC(=O)c1cccnc1	C98920
PUBCHEM_420	OC(=O)c1cccnc1	C59676
PUBCHEM_420	CN(C(=O)N)N=O	C684935
PUBCHEM_420	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_420	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_420	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_420	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_420	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_420	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_420	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_420	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_420	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_420	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_420	O=CCc1ccccc1	C122781
PUBCHEM_420	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_420	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_420	CCCCCCCCCC=O	C112312
PUBCHEM_420	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_420	O=CCCCCCC	C111717
PUBCHEM_420	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_420	CCCCCCCCC=O	C124196
PUBCHEM_420	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_420	OC(=O)CCCC	C109524
PUBCHEM_420	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_420	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_420	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_420	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_420	O=Cc1ccccc1O	C90028
PUBCHEM_420	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_420	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_420	CCCC(=O)C	C107879
PUBCHEM_420	CCCCCC(=O)C	C110430
PUBCHEM_420	CCCCCCCCCC(=O)C	C112129
PUBCHEM_420	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_420	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_420	CCCCCC(=O)OCC	C123660
PUBCHEM_420	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_420	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_420	O=C(OC(C)(C)C)C	C540885
PUBCHEM_420	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_420	C=CC(=O)OCCO	C818611
PUBCHEM_420	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_420	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_420	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_420	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_420	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_420	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_420	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_420	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_420	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_420	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_420	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_420	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_420	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_420	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_420	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_420	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_420	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_420	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_420	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_420	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_420	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_420	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_420	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_420	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_420	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_420	C(=O)(O)C(C)O	C50215
PUBCHEM_420	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_420	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_420	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_420	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_420	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_420	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_420	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_420	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_420	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_420	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_420	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_420	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_420	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_420	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_420	[Na+].[O-]C(=O)CF	C62748
PUBCHEM_420	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_420	O=C(N)N=NC(=O)N	C123773
PUBCHEM_420	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_420	O=C(OCCCC)C=C	C141322
PUBCHEM_420	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_420	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_420	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_420	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_420	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_420	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_420	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_420	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_420	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_420	OCNC(=O)NCO	C140954
PUBCHEM_420	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_420	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_420	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_420	C(CC)(C=O)CCCC	C123057
PUBCHEM_420	CCC(=CCCC)C=O	C645625
PUBCHEM_420	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_420	c1c(CO)occ1	C98000
PUBCHEM_420	O=CCCCC=O	C111308
PUBCHEM_420	C(=O)(O)CO	C79141
PUBCHEM_420	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_420	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_420	O(C(C)C)C(=O)C	C108214
PUBCHEM_420	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_420	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_420	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_420	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_420	C(=O)(O)C(=O)O	C144627
PUBCHEM_420	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_420	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_420	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_420	O=C(O)CS	C68111
PUBCHEM_420	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_420	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_420	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_420	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_420	O=C(O)c1ccccc1O	C69727
PUBCHEM_420	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_420	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_420	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_420	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_420	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_420	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_420	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_420	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_420	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_420	O=C1OCC(C)O1	C108327
PUBCHEM_420	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_420	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_420	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_420	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_420	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_420	O=C(C)OCCOCCCC	C112072
PUBCHEM_420	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_420	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_420	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_420	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_420	O=C1NCCC1	C616455
PUBCHEM_420	O=COC(C)C	C625558
PUBCHEM_420	O=C(N)[O-].[NH4+]	C1111780
PUBCHEM_420	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_420	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_420	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_420	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_420	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_420	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_420	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_420	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_420	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_420	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_420	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_420	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_420	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_420	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_420	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_420	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_420	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_420	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_420	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_420	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_420	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_420	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_420	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_420	O=C1CCCC1	C120923
PUBCHEM_420	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_420	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_420	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_420	O=C(C=C(C)C)C	C141797
PUBCHEM_420	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_420	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_420	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_420	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_420	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_420	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_420	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_420	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_420	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_420	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_420	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_420	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_420	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_420	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_420	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_420	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_420	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_420	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_420	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_420	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_420	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_420	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_420	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_420	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_420	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_420	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_420	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_420	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_420	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_420	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_420	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_420	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_420	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_420	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_420	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_420	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_420	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_420	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_420	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_420	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_420	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_420	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_420	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_420	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_420	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_420	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_420	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_420	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_420	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_420	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_420	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_420	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_420	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_420	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_420	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_420	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_420	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_420	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_420	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_420	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_420	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_420	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_420	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_420	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_420	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_420	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_420	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_420	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_420	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_420	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_420	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_420	O=C(CC)OCC	C105373
PUBCHEM_420	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_420	O=C(c1ccccc1O)C	C118934
PUBCHEM_420	O=C1OCC(CC)O1	C4437858
PUBCHEM_420	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_420	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_420	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_420	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_420	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_420	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_420	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_420	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_420	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_420	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_420	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_420	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_420	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_420	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_420	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_420	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_420	O=C1CCC(O1)CC	C695067
PUBCHEM_420	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_420	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_420	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_420	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_420	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_420	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_420	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_420	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_420	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_420	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_420	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_420	O=C/C=C/CCC	C6728263
PUBCHEM_420	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_420	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_420	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_420	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_420	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_420	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_420	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_420	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_420	O=C(CCC)OCCCCC	C540181
PUBCHEM_420	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_420	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_420	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_420	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_420	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_420	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_420	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_420	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_420	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_420	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_420	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_420	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_420	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_420	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_420	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_420	O=C(CC)CCCCC	C106683
PUBCHEM_420	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_420	O=C(CF)O	C144490
PUBCHEM_420	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_420	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_420	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_420	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_420	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_420	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_420	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_420	OC(C)C(=O)OCCCC	C138227
PUBCHEM_420	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_420	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_420	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_420	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_420	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_420	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_420	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_420	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_420	O=C(N)Nc1ccccc1	C64108
PUBCHEM_420	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_420	O=C(C)OCCCCCCCC	C112141
PUBCHEM_420	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_420	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_420	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_420	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_420	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_420	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_420	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_420	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_420	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_420	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_420	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_420	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_420	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_420	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_420	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_420	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_420	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_420	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_420	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_420	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_420	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_420	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_420	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_420	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_420	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_420	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_420	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_420	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_420	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_420	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_420	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_420	O=C1OC(CCC)CC1	C105215
PUBCHEM_420	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_420	C=O	C50000
PUBCHEM_420	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_420	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_420	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_420	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_420	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_420	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_420	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_420	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_420	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_420	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_420	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_420	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_420	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_420	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_420	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_420	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_420	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_420	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_420	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_420	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_420	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_420	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_420	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_420	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_420	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_420	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_420	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_420	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_420	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_420	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_420	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_420	S=P(SCC(=O)NC)(OC)OC	C60515
PUBCHEM_420	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_420	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_420	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_420	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_420	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_420	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_420	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_420	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_420	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_420	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_420	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_420	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_420	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_420	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_420	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_420	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_420	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_420	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_420	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_420	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_420	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_420	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_420	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_420	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_420	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_420	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_420	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_420	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_420	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_420	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_420	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_420	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_420	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_420	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_420	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_420	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_420	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_420	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_420	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_420	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_420	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_420	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_420	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_420	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_420	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_420	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_420	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_420	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_420	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_420	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_420	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_420	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_420	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_420	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_420	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_420	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_420	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_420	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_420	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_420	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_420	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_420	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_420	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_420	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_420	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_420	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_420	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_420	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_420	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_420	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_420	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_420	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_420	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_420	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_420	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_420	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_420	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_420	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_420	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_420	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_420	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_420	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_420	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_420	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_420	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_420	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_420	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_420	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_420	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_420	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_420	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_420	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_420	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_420	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_420	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_420	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_420	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_420	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_420	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_420	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_420	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_420	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_420	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_420	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_420	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_420	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_420	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_420	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_420	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_420	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_420	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_420	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_420	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_420	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_420	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_420	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_420	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_420	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_420	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_420	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_420	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_420	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_420	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_420	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_420	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_420	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_420	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_420	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_420	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_420	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_420	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_420	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_420	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_420	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_420	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_420	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_420	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_420	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_420	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_420	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_420	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_420	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_420	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_420	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_420	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_420	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_420	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_420	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_420	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_420	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_420	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_420	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_420	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_420	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_420	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_420	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_420	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_420	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_420	NC(=O)C=C	C79061
PUBCHEM_420	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_420	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_420	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_420	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_420	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_420	c1coc2c1cccc2	C271896
PUBCHEM_420	OC(=O)c1ccccc1	C65850
PUBCHEM_420	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_420	O=C1CCCO1	C96480
PUBCHEM_420	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_420	O=C1CCCCCN1	C105602
PUBCHEM_420	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_420	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_420	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_420	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_420	O=C(c1ccccc1)CCl	C532274
PUBCHEM_420	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_420	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_420	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_420	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_420	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_420	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_420	OC(=O)C(Cl)Cl	C79436
PUBCHEM_420	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_420	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_420	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_420	O=C(N(C)C)Cl	C79447
PUBCHEM_420	CN(C=O)C	C68122
PUBCHEM_420	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_420	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_420	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_420	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_420	O=Cc1ccco1	C98011
PUBCHEM_420	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_420	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_420	O=C(c1ccncc1)NN	C54853
PUBCHEM_420	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_420	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_420	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_420	O=C1N(CCC1)C	C872504
PUBCHEM_420	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_420	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_420	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_420	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_420	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_420	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_420	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_420	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_420	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_420	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_420	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_420	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_420	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_420	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_420	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_420	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_420	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_420	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_420	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_420	OC(=O)C=CC=CC	C110441
PUBCHEM_420	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_420	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_420	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_420	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_420	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_420	C(=O)(N)N	C57136
PUBCHEM_420	NC(=O)OCC	C51796
PUBCHEM_420	O=C1N(C=C)CCC1	C88120
PUBCHEM_420	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_420	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_420	OC(=O)CCC	C107926
PUBCHEM_420	CCCCCCCCCC(=O)O	C334485
PUBCHEM_420	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_420	O=C(O)CCCCCC	C111148
PUBCHEM_420	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_420	CCCCCC(=O)O	C142621
PUBCHEM_420	CCCCCCCCC(=O)O	C112050
PUBCHEM_420	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_420	CCCCCCCC=O	C124130
PUBCHEM_420	CCCCCCCC(=O)O	C124072
PUBCHEM_420	CCCCC=O	C110623
PUBCHEM_420	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_420	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_420	c1ccccc1C(=O)C	C98862
PUBCHEM_420	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_420	CC(=O)OCCOCC	C111159
PUBCHEM_420	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_420	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_420	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_420	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_420	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_420	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_420	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_420	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_420	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_420	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_420	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_420	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_420	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_420	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_420	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_420	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_420	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_420	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_420	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_420	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_420	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_420	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_420	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_420	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_420	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_420	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_420	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_420	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_420	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_420	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_420	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_420	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_420	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_420	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_420	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_420	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_420	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_420	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_420	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_420	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_420	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_420	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_420	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_420	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_420	O=C(O)C(CCCC)CC	C149575
PUBCHEM_420	C(=O)(N)NO	C127071
PUBCHEM_420	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_420	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_420	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_420	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_420	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_420	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_420	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_420	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_420	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_420	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_420	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_420	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_420	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_420	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_420	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_420	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_420	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_420	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_420	O=C(OC)CCCCCCC	C111115
PUBCHEM_420	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_420	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_420	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_420	O=C(C)OCCCCC	C628637
PUBCHEM_420	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_420	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_420	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_420	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_420	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_420	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_420	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_420	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_420	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_420	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_420	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_420	O=C(OC)CC(=O)OC	C108598
PUBCHEM_420	O=C(N)C(=C)C	C79390
PUBCHEM_420	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_420	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_420	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_420	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_420	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_420	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_420	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_420	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_420	O=Cc1ccccc1C=O	C643798
PUBCHEM_420	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_420	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_420	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_420	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_420	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_420	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_420	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_420	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_420	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_420	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_420	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_420	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_420	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_420	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_420	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_420	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_420	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_420	O=C(CCC)OCC	C105544
PUBCHEM_420	O=C(OCC)CCCCCC	C106309
PUBCHEM_420	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_420	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_420	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_420	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_420	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_420	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_420	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_420	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_420	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_420	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_420	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_420	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_420	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_420	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_420	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_420	O=C(C)NC	C79163
PUBCHEM_420	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_420	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_420	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_420	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_420	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_420	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_420	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_420	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_420	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_420	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_420	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_420	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_420	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_420	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_420	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_420	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_420	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_420	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_420	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_420	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_420	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_420	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_420	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_420	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_420	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_420	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_420	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_420	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_420	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_420	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_420	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_420	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_420	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_420	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_420	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_420	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_420	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_420	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_420	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_420	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_420	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_420	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_420	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_420	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_420	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_420	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_420	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_420	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_420	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_420	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_420	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_420	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_420	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_420	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_420	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_420	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_420	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_420	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_420	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_420	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_420	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_420	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_420	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_420	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_420	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_420	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_420	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_420	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_420	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_420	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_420	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_420	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_420	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_420	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_420	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_420	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_420	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_420	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_420	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_420	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_420	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_420	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_420	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_420	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_420	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_420	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_420	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_420	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_420	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_420	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_420	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_420	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_420	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_420	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_420	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_420	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_420	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_420	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_420	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_420	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_420	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_420	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_420	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_420	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_420	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_420	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_420	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_420	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_420	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_420	C(=O)N	C75127
PUBCHEM_420	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_420	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_420	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_420	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_420	C(=O)(C)O	C64197
PUBCHEM_420	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_420	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_420	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_420	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_420	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_420	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_420	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_420	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_420	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_420	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_420	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_420	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_420	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_420	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_420	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_420	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_420	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_420	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_420	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_420	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_420	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_420	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_420	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_420	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_420	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_420	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_420	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_420	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_420	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_420	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_420	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_420	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_420	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_420	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_420	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_420	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_420	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_420	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_420	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_420	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_420	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_420	O=COCC	C109944
PUBCHEM_420	O=C(OCC)c1ccccc1	C93890
PUBCHEM_420	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_420	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_420	O=CCCSC	C3268493
PUBCHEM_420	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_420	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_420	CC(=O)OCC	C141786
PUBCHEM_420	CC(=O)OCCCC	C123864
PUBCHEM_420	CC(=O)CCC(C)C	C110123
PUBCHEM_420	CC(=O)CC(C)C	C108101
PUBCHEM_420	CC(C)C=O	C78842
PUBCHEM_420	CCCCCC=O	C66251
PUBCHEM_420	CCCC=O	C123728
PUBCHEM_420	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_420	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_420	CC1CC(=O)O1	C3068880
PUBCHEM_420	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_420	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_420	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_420	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_420	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_420	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_420	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_420	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_420	O=C(CCl)CCl	C534076
PUBCHEM_420	CC(=O)C(=O)O	C127173
PUBCHEM_420	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_420	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_420	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_420	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_420	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_420	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_420	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_420	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_420	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_420	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_420	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_420	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_420	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_420	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_420	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_420	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_420	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_420	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_420	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_420	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_420	O=CC=CC=CCCCCC	C25152845
PUBCHEM_420	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_420	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_420	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_420	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_420	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_420	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_420	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_420	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_420	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_420	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_420	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_420	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_420	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_420	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_420	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_420	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_420	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_420	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_420	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_420	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_420	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_420	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_420	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_420	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_420	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_420	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_420	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_420	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_420	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_420	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_420	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_420	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_420	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_420	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_420	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_420	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_420	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_420	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_420	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_420	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_420	O=CCCCCCCCCC=C	C112458
PUBCHEM_420	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_420	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_420	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_420	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_420	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_420	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_420	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_420	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_420	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_420	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_420	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_420	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_420	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_420	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_420	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_420	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_420	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_420	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_420	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_420	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_420	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_420	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_420	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_420	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_420	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_420	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_420	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_420	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_420	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_420	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_420	O=C(C)[O-].O=C(C)[O-].[Hg+2]	C1600277
PUBCHEM_420	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_420	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_420	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_420	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_420	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_420	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_420	O=CN1CCCCC1	C2591868
PUBCHEM_420	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_420	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_420	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_420	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_420	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_420	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_420	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_420	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_420	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_420	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_420	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_420	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_420	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_420	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_420	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_420	O=C(OCCCCO)C=C	C2478106
PUBCHEM_420	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_420	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_420	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_420	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_420	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_420	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_420	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_420	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_420	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_420	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_420	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_420	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_420	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_420	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_420	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_420	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_420	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_420	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_420	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_420	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_420	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_420	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_420	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_420	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_420	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_420	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_420	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_420	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_420	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_420	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_420	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_420	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_420	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_420	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_420	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_420	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_420	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_420	CCCCCc1ccco1	C3777693
PUBCHEM_420	CCC(=O)C(=O)CC	C4437518
PUBCHEM_420	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_421	C=CCN=C=S	C57067
PUBCHEM_421	S=C(NCC)NCC	C105555
PUBCHEM_421	NC(=S)N	C62566
PUBCHEM_421	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_421	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_421	c1ccc2ncsc2c1	C95169
PUBCHEM_421	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_421	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_421	NNC(=S)NN	C2231574
PUBCHEM_421	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_421	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_421	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_421	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_421	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_421	S=C(NC)NC	C534134
PUBCHEM_421	NNC(=S)NC	C6610293
PUBCHEM_421	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_421	S=C1NCCN1	C96457
PUBCHEM_421	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_421	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_421	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_421	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_421	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_421	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_421	CN1CN(C)CSC1=S	C533744
PUBCHEM_421	S=C=NC	C556616
PUBCHEM_421	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_421	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_421	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_421	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_421	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_421	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_421	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_421	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_421	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_421	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_421	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_421	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_421	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_421	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_421	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_421	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_421	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_421	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_421	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_421	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_421	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_421	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_421	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_421	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_421	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_421	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_421	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_421	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_421	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_421	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_421	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_421	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_421	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_421	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_421	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_421	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_421	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_421	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_421	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_421	S=C(NCCCC)NCCCC	C109466
PUBCHEM_421	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_421	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_421	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_421	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_421	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_421	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_421	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_421	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_421	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_421	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_421	S=C=NCCCSC	C505793
PUBCHEM_421	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_422	c1(nc[nH]n1)N	C61825
PUBCHEM_422	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_422	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_422	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_422	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_422	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_422	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_422	O=C(N)N=NC(=O)N	C123773
PUBCHEM_422	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_422	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_422	OCn1nc(C)cc1C	C85264331
PUBCHEM_422	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_422	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_422	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_422	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_422	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_422	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_422	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_422	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_422	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_422	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_422	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_422	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_422	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_422	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_422	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_422	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_422	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_422	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_422	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_422	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_422	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_422	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_422	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_422	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_422	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_422	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_422	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_422	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_422	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_422	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_422	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_422	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_422	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_422	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_422	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_422	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_422	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_422	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_422	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_422	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_422	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_422	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_422	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_422	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_422	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_422	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_422	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_422	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_422	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_422	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_422	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_422	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_422	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_422	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_422	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_422	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_422	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_422	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_422	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_422	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_422	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_422	[Na+].[N-]=[N+]=[N-]	C26628228
PUBCHEM_422	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_422	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_422	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_422	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_422	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_422	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_422	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_422	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_422	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_422	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_422	[nH]1ncnc1	C288880
PUBCHEM_422	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_422	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_422	Nn1cnnc1	C584134
PUBCHEM_422	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_422	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_422	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_422	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_422	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_422	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_422	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_422	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_422	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_422	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_422	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_422	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_422	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_422	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_422	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_422	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_422	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_422	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_422	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_422	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_422	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_422	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_422	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_422	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_423	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_423	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_423	O=[N+](CC)[O-]	C79243
PUBCHEM_423	CN(C(=O)N)N=O	C684935
PUBCHEM_423	CN(N=O)C	C62759
PUBCHEM_423	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_423	O=NN1CCCC1	C930552
PUBCHEM_423	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_423	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_423	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_423	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_423	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_423	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_423	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_423	[O-][N+](=O)[O-].[K+]	C7757791
PUBCHEM_423	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_423	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_423	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_423	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_423	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_423	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_423	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_423	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_423	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_423	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_423	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_423	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_423	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_423	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_423	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_423	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_423	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_423	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_423	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_423	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_423	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_423	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_423	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_423	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_423	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_423	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_423	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_423	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_423	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_423	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_423	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_423	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_423	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_423	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_423	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_423	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_423	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_423	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_423	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_423	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_423	O=N[O-].[Na+]	C7632000
PUBCHEM_423	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_423	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_423	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_423	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_423	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_423	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_423	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_423	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_423	O=NN(CCCC)CCCC	C924163
PUBCHEM_423	CCN(CC)N=O	C55185
PUBCHEM_423	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_423	O=NN(CCC)CCC	C621647
PUBCHEM_423	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_423	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_423	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_423	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_423	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_423	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_423	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_423	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_423	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_423	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_423	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_423	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_423	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_423	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_423	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_423	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_423	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_423	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_423	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_423	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_423	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_423	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_423	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_423	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_423	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_423	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_423	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_423	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_423	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_423	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_423	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_423	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_423	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_423	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_423	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_423	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_423	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_423	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_423	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_423	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_423	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_423	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_423	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_423	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_423	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_423	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_423	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_423	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_423	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_423	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_423	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_423	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_423	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_423	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_423	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_423	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_423	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_423	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_423	O=[N+]([O-])O[Cd]O[N+](=O)[O-]	C10325947
PUBCHEM_423	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_423	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_423	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_423	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_423	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_423	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_425	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_425	O=P(OC)(OC)OC	C512561
PUBCHEM_425	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_425	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_425	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_425	OP(=O)(O)O	C7664382
PUBCHEM_425	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_425	O=P(OCC)(OCC)OCC	C78400
PUBCHEM_425	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_425	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_425	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_425	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_425	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_425	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_425	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_425	O=P(OC=C(Cl)Cl)(OC)OC	C62737
PUBCHEM_425	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_425	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_425	O=C(C)NP(=O)(OC)SC	C30560191
PUBCHEM_425	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_425	ClCCP(=O)(O)O	C16672870
PUBCHEM_425	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_425	CCCCSP(=O)(SCCCC)SCCCC	C78488
PUBCHEM_425	NP(=O)(OC)SC	C10265926
PUBCHEM_425	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_425	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_425	O=P(SCCC)(OCC)SCCC	C13194484
PUBCHEM_425	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_425	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_425	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_425	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_425	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_425	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_425	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_425	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_425	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_425	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_425	CP(=O)(OC(C)C)OC(C)C	C1445756
PUBCHEM_425	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_425	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_425	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_425	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_425	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_425	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_427	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_427	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_427	C(O)C#CCO	C110656
PUBCHEM_427	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_427	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_427	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_427	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_427	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_427	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_427	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_427	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_427	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_427	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_427	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_427	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_427	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_427	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_427	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_427	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_427	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_427	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_427	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_429	C=CC#N	C107131
PUBCHEM_429	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_429	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_429	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_429	N#CCC#N	C109773
PUBCHEM_429	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_429	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_429	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_429	CC(=C)C#N	C126987
PUBCHEM_429	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_429	C(C)(C)(O)C#N	C75865
PUBCHEM_429	N#CC(CCC#N)C	C4553622
PUBCHEM_429	N#CC(C)C	C78820
PUBCHEM_429	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_429	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_429	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_429	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_429	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_429	N#Cc1c(O)cccc1	C611201
PUBCHEM_429	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_429	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_429	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_429	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_429	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_429	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_429	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_429	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_429	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_429	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_429	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_429	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_429	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_429	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_429	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_429	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_429	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_429	N#CCCCCC#N	C111693
PUBCHEM_429	N#Cc1cnccc1	C100549
PUBCHEM_429	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_429	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_429	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_429	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_429	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_429	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_429	N#CC(Br)Br	C3252435
PUBCHEM_429	N#Cc1ccccc1	C100470
PUBCHEM_429	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_429	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_429	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_429	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_429	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_429	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_429	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_429	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_429	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_429	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_430	C=CC#N	C107131
PUBCHEM_430	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_430	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_430	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_430	N#CCC#N	C109773
PUBCHEM_430	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_430	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_430	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_430	CC(=C)C#N	C126987
PUBCHEM_430	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_430	C(C)(C)(O)C#N	C75865
PUBCHEM_430	N#CC(CCC#N)C	C4553622
PUBCHEM_430	N#CC(C)C	C78820
PUBCHEM_430	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_430	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_430	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_430	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_430	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_430	N#Cc1c(O)cccc1	C611201
PUBCHEM_430	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_430	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_430	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_430	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_430	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_430	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_430	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_430	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_430	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_430	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_430	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_430	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_430	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_430	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_430	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_430	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_430	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_430	N#CCCCCC#N	C111693
PUBCHEM_430	N#Cc1cnccc1	C100549
PUBCHEM_430	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_430	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_430	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_430	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_430	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_430	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_430	N#CC(Br)Br	C3252435
PUBCHEM_430	N#Cc1ccccc1	C100470
PUBCHEM_430	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_430	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_430	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_430	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_430	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_430	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_430	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_430	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_430	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_430	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_431	C=CC#N	C107131
PUBCHEM_431	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_431	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_431	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_431	N#CCC#N	C109773
PUBCHEM_431	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_431	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_431	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_431	CC(=C)C#N	C126987
PUBCHEM_431	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_431	C(C)(C)(O)C#N	C75865
PUBCHEM_431	N#CC(CCC#N)C	C4553622
PUBCHEM_431	N#CC(C)C	C78820
PUBCHEM_431	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_431	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_431	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_431	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_431	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_431	N#Cc1c(O)cccc1	C611201
PUBCHEM_431	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_431	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_431	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_431	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_431	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_431	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_431	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_431	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_431	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_431	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_431	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_431	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_431	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_431	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_431	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_431	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_431	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_431	N#CCCCCC#N	C111693
PUBCHEM_431	N#Cc1cnccc1	C100549
PUBCHEM_431	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_431	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_431	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_431	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_431	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_431	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_431	N#CC(Br)Br	C3252435
PUBCHEM_431	N#Cc1ccccc1	C100470
PUBCHEM_431	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_431	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_431	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_431	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_431	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_431	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_431	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_431	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_431	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_431	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_432	C=CC#N	C107131
PUBCHEM_432	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_432	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_432	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_432	N#CCC#N	C109773
PUBCHEM_432	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_432	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_432	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_432	CC(=C)C#N	C126987
PUBCHEM_432	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_432	C(C)(C)(O)C#N	C75865
PUBCHEM_432	N#CC(CCC#N)C	C4553622
PUBCHEM_432	N#CC(C)C	C78820
PUBCHEM_432	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_432	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_432	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_432	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_432	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_432	N#Cc1c(O)cccc1	C611201
PUBCHEM_432	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_432	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_432	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_432	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_432	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_432	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_432	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_432	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_432	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_432	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_432	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_432	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_432	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_432	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_432	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_432	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_432	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_432	N#CCCCCC#N	C111693
PUBCHEM_432	N#Cc1cnccc1	C100549
PUBCHEM_432	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_432	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_432	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_432	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_432	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_432	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_432	N#CC(Br)Br	C3252435
PUBCHEM_432	N#Cc1ccccc1	C100470
PUBCHEM_432	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_432	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_432	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_432	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_432	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_432	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_432	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_432	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_432	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_432	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_433	C=CC#N	C107131
PUBCHEM_433	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_433	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_433	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_433	N#CCC#N	C109773
PUBCHEM_433	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_433	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_433	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_433	CC(=C)C#N	C126987
PUBCHEM_433	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_433	C(C)(C)(O)C#N	C75865
PUBCHEM_433	N#CC(CCC#N)C	C4553622
PUBCHEM_433	N#CC(C)C	C78820
PUBCHEM_433	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_433	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_433	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_433	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_433	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_433	N#Cc1c(O)cccc1	C611201
PUBCHEM_433	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_433	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_433	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_433	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_433	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_433	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_433	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_433	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_433	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_433	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_433	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_433	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_433	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_433	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_433	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_433	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_433	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_433	N#CCCCCC#N	C111693
PUBCHEM_433	N#Cc1cnccc1	C100549
PUBCHEM_433	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_433	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_433	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_433	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_433	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_433	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_433	N#CC(Br)Br	C3252435
PUBCHEM_433	N#Cc1ccccc1	C100470
PUBCHEM_433	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_433	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_433	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_433	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_433	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_433	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_433	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_433	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_433	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_433	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_434	C=CC#N	C107131
PUBCHEM_434	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_434	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_434	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_434	N#CCC#N	C109773
PUBCHEM_434	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_434	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_434	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_434	CC(=C)C#N	C126987
PUBCHEM_434	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_434	C(C)(C)(O)C#N	C75865
PUBCHEM_434	N#CC(CCC#N)C	C4553622
PUBCHEM_434	N#CC(C)C	C78820
PUBCHEM_434	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_434	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_434	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_434	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_434	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_434	N#Cc1c(O)cccc1	C611201
PUBCHEM_434	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_434	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_434	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_434	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_434	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_434	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_434	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_434	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_434	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_434	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_434	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_434	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_434	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_434	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_434	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_434	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_434	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_434	N#CCCCCC#N	C111693
PUBCHEM_434	N#Cc1cnccc1	C100549
PUBCHEM_434	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_434	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_434	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_434	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_434	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_434	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_434	N#CC(Br)Br	C3252435
PUBCHEM_434	N#Cc1ccccc1	C100470
PUBCHEM_434	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_434	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_434	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_434	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_434	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_434	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_434	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_434	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_434	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_434	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_435	C=CC#N	C107131
PUBCHEM_435	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_435	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_435	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_435	N#CCC#N	C109773
PUBCHEM_435	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_435	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_435	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_435	CC(=C)C#N	C126987
PUBCHEM_435	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_435	C(C)(C)(O)C#N	C75865
PUBCHEM_435	N#CC(CCC#N)C	C4553622
PUBCHEM_435	N#CC(C)C	C78820
PUBCHEM_435	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_435	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_435	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_435	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_435	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_435	N#Cc1c(O)cccc1	C611201
PUBCHEM_435	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_435	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_435	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_435	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_435	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_435	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_435	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_435	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_435	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_435	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_435	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_435	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_435	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_435	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_435	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_435	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_435	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_435	N#CCCCCC#N	C111693
PUBCHEM_435	N#Cc1cnccc1	C100549
PUBCHEM_435	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_435	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_435	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_435	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_435	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_435	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_435	N#CC(Br)Br	C3252435
PUBCHEM_435	N#Cc1ccccc1	C100470
PUBCHEM_435	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_435	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_435	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_435	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_435	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_435	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_435	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_435	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_435	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_435	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_436	C=CC#N	C107131
PUBCHEM_436	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_436	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_436	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_436	N#CCC#N	C109773
PUBCHEM_436	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_436	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_436	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_436	CC(=C)C#N	C126987
PUBCHEM_436	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_436	C(C)(C)(O)C#N	C75865
PUBCHEM_436	N#CC(CCC#N)C	C4553622
PUBCHEM_436	N#CC(C)C	C78820
PUBCHEM_436	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_436	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_436	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_436	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_436	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_436	N#Cc1c(O)cccc1	C611201
PUBCHEM_436	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_436	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_436	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_436	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_436	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_436	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_436	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_436	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_436	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_436	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_436	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_436	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_436	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_436	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_436	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_436	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_436	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_436	N#CCCCCC#N	C111693
PUBCHEM_436	N#Cc1cnccc1	C100549
PUBCHEM_436	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_436	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_436	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_436	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_436	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_436	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_436	N#CC(Br)Br	C3252435
PUBCHEM_436	N#Cc1ccccc1	C100470
PUBCHEM_436	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_436	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_436	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_436	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_436	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_436	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_436	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_436	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_436	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_436	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_437	C=CC#N	C107131
PUBCHEM_437	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_437	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_437	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_437	N#CCC#N	C109773
PUBCHEM_437	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_437	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_437	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_437	CC(=C)C#N	C126987
PUBCHEM_437	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_437	C(C)(C)(O)C#N	C75865
PUBCHEM_437	N#CC(CCC#N)C	C4553622
PUBCHEM_437	N#CC(C)C	C78820
PUBCHEM_437	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_437	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_437	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_437	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_437	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_437	N#Cc1c(O)cccc1	C611201
PUBCHEM_437	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_437	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_437	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_437	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_437	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_437	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_437	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_437	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_437	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_437	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_437	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_437	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_437	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_437	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_437	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_437	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_437	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_437	N#CCCCCC#N	C111693
PUBCHEM_437	N#Cc1cnccc1	C100549
PUBCHEM_437	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_437	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_437	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_437	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_437	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_437	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_437	N#CC(Br)Br	C3252435
PUBCHEM_437	N#Cc1ccccc1	C100470
PUBCHEM_437	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_437	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_437	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_437	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_437	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_437	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_437	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_437	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_437	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_437	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_438	C=CC#N	C107131
PUBCHEM_438	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_438	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_438	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_438	N#CCC#N	C109773
PUBCHEM_438	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_438	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_438	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_438	CC(=C)C#N	C126987
PUBCHEM_438	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_438	C(C)(C)(O)C#N	C75865
PUBCHEM_438	N#CC(CCC#N)C	C4553622
PUBCHEM_438	N#CC(C)C	C78820
PUBCHEM_438	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_438	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_438	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_438	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_438	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_438	N#Cc1c(O)cccc1	C611201
PUBCHEM_438	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_438	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_438	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_438	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_438	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_438	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_438	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_438	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_438	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_438	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_438	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_438	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_438	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_438	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_438	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_438	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_438	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_438	N#CCCCCC#N	C111693
PUBCHEM_438	N#Cc1cnccc1	C100549
PUBCHEM_438	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_438	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_438	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_438	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_438	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_438	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_438	N#CC(Br)Br	C3252435
PUBCHEM_438	N#Cc1ccccc1	C100470
PUBCHEM_438	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_438	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_438	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_438	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_438	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_438	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_438	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_438	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_438	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_438	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_439	C=CC#N	C107131
PUBCHEM_439	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_439	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_439	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_439	N#CCC#N	C109773
PUBCHEM_439	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_439	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_439	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_439	CC(=C)C#N	C126987
PUBCHEM_439	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_439	C(C)(C)(O)C#N	C75865
PUBCHEM_439	N#CC(CCC#N)C	C4553622
PUBCHEM_439	N#CC(C)C	C78820
PUBCHEM_439	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_439	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_439	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_439	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_439	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_439	N#Cc1c(O)cccc1	C611201
PUBCHEM_439	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_439	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_439	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_439	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_439	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_439	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_439	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_439	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_439	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_439	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_439	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_439	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_439	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_439	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_439	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_439	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_439	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_439	N#CCCCCC#N	C111693
PUBCHEM_439	N#Cc1cnccc1	C100549
PUBCHEM_439	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_439	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_439	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_439	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_439	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_439	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_439	N#CC(Br)Br	C3252435
PUBCHEM_439	N#Cc1ccccc1	C100470
PUBCHEM_439	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_439	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_439	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_439	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_439	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_439	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_439	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_439	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_439	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_439	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_440	C=CC#N	C107131
PUBCHEM_440	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_440	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_440	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_440	N#CCC#N	C109773
PUBCHEM_440	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_440	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_440	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_440	CC(=C)C#N	C126987
PUBCHEM_440	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_440	C(C)(C)(O)C#N	C75865
PUBCHEM_440	N#CC(CCC#N)C	C4553622
PUBCHEM_440	N#CC(C)C	C78820
PUBCHEM_440	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_440	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_440	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_440	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_440	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_440	N#Cc1c(O)cccc1	C611201
PUBCHEM_440	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_440	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_440	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_440	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_440	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_440	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_440	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_440	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_440	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_440	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_440	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_440	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_440	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_440	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_440	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_440	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_440	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_440	N#CCCCCC#N	C111693
PUBCHEM_440	N#Cc1cnccc1	C100549
PUBCHEM_440	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_440	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_440	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_440	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_440	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_440	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_440	N#CC(Br)Br	C3252435
PUBCHEM_440	N#Cc1ccccc1	C100470
PUBCHEM_440	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_440	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_440	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_440	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_440	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_440	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_440	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_440	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_440	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_440	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_441	C=CC#N	C107131
PUBCHEM_441	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_441	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_441	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_441	N#CCC#N	C109773
PUBCHEM_441	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_441	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_441	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_441	CC(=C)C#N	C126987
PUBCHEM_441	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_441	C(C)(C)(O)C#N	C75865
PUBCHEM_441	N#CC(CCC#N)C	C4553622
PUBCHEM_441	N#CC(C)C	C78820
PUBCHEM_441	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_441	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_441	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_441	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_441	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_441	N#Cc1c(O)cccc1	C611201
PUBCHEM_441	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_441	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_441	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_441	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_441	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_441	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_441	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_441	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_441	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_441	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_441	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_441	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_441	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_441	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_441	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_441	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_441	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_441	N#CCCCCC#N	C111693
PUBCHEM_441	N#Cc1cnccc1	C100549
PUBCHEM_441	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_441	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_441	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_441	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_441	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_441	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_441	N#CC(Br)Br	C3252435
PUBCHEM_441	N#Cc1ccccc1	C100470
PUBCHEM_441	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_441	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_441	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_441	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_441	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_441	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_441	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_441	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_441	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_441	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_442	C=CC#N	C107131
PUBCHEM_442	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_442	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_442	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_442	N#CCC#N	C109773
PUBCHEM_442	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_442	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_442	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_442	CC(=C)C#N	C126987
PUBCHEM_442	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_442	C(C)(C)(O)C#N	C75865
PUBCHEM_442	N#CC(CCC#N)C	C4553622
PUBCHEM_442	N#CC(C)C	C78820
PUBCHEM_442	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_442	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_442	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_442	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_442	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_442	N#Cc1c(O)cccc1	C611201
PUBCHEM_442	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_442	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_442	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_442	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_442	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_442	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_442	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_442	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_442	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_442	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_442	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_442	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_442	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_442	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_442	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_442	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_442	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_442	N#CCCCCC#N	C111693
PUBCHEM_442	N#Cc1cnccc1	C100549
PUBCHEM_442	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_442	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_442	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_442	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_442	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_442	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_442	N#CC(Br)Br	C3252435
PUBCHEM_442	N#Cc1ccccc1	C100470
PUBCHEM_442	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_442	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_442	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_442	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_442	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_442	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_442	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_442	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_442	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_442	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_443	C=CC#N	C107131
PUBCHEM_443	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_443	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_443	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_443	N#CCC#N	C109773
PUBCHEM_443	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_443	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_443	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_443	CC(=C)C#N	C126987
PUBCHEM_443	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_443	C(C)(C)(O)C#N	C75865
PUBCHEM_443	N#CC(CCC#N)C	C4553622
PUBCHEM_443	N#CC(C)C	C78820
PUBCHEM_443	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_443	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_443	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_443	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_443	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_443	N#Cc1c(O)cccc1	C611201
PUBCHEM_443	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_443	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_443	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_443	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_443	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_443	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_443	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_443	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_443	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_443	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_443	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_443	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_443	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_443	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_443	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_443	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_443	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_443	N#CCCCCC#N	C111693
PUBCHEM_443	N#Cc1cnccc1	C100549
PUBCHEM_443	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_443	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_443	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_443	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_443	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_443	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_443	N#CC(Br)Br	C3252435
PUBCHEM_443	N#Cc1ccccc1	C100470
PUBCHEM_443	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_443	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_443	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_443	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_443	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_443	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_443	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_443	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_443	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_443	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_444	C=CC#N	C107131
PUBCHEM_444	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_444	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_444	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_444	N#CCC#N	C109773
PUBCHEM_444	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_444	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_444	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_444	CC(=C)C#N	C126987
PUBCHEM_444	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_444	C(C)(C)(O)C#N	C75865
PUBCHEM_444	N#CC(CCC#N)C	C4553622
PUBCHEM_444	N#CC(C)C	C78820
PUBCHEM_444	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_444	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_444	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_444	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_444	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_444	N#Cc1c(O)cccc1	C611201
PUBCHEM_444	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_444	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_444	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_444	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_444	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_444	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_444	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_444	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_444	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_444	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_444	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_444	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_444	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_444	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_444	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_444	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_444	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_444	N#CCCCCC#N	C111693
PUBCHEM_444	N#Cc1cnccc1	C100549
PUBCHEM_444	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_444	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_444	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_444	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_444	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_444	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_444	N#CC(Br)Br	C3252435
PUBCHEM_444	N#Cc1ccccc1	C100470
PUBCHEM_444	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_444	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_444	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_444	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_444	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_444	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_444	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_444	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_444	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_444	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_445	C=CC#N	C107131
PUBCHEM_445	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_445	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_445	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_445	N#CCC#N	C109773
PUBCHEM_445	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_445	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_445	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_445	CC(=C)C#N	C126987
PUBCHEM_445	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_445	C(C)(C)(O)C#N	C75865
PUBCHEM_445	N#CC(CCC#N)C	C4553622
PUBCHEM_445	N#CC(C)C	C78820
PUBCHEM_445	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_445	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_445	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_445	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_445	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_445	N#Cc1c(O)cccc1	C611201
PUBCHEM_445	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_445	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_445	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_445	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_445	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_445	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_445	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_445	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_445	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_445	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_445	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_445	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_445	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_445	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_445	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_445	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_445	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_445	N#CCCCCC#N	C111693
PUBCHEM_445	N#Cc1cnccc1	C100549
PUBCHEM_445	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_445	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_445	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_445	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_445	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_445	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_445	N#CC(Br)Br	C3252435
PUBCHEM_445	N#Cc1ccccc1	C100470
PUBCHEM_445	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_445	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_445	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_445	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_445	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_445	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_445	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_445	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_445	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_445	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_446	C=CC#N	C107131
PUBCHEM_446	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_446	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_446	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_446	N#CCC#N	C109773
PUBCHEM_446	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_446	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_446	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_446	CC(=C)C#N	C126987
PUBCHEM_446	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_446	C(C)(C)(O)C#N	C75865
PUBCHEM_446	N#CC(CCC#N)C	C4553622
PUBCHEM_446	N#CC(C)C	C78820
PUBCHEM_446	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_446	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_446	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_446	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_446	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_446	N#Cc1c(O)cccc1	C611201
PUBCHEM_446	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_446	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_446	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_446	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_446	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_446	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_446	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_446	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_446	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_446	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_446	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_446	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_446	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_446	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_446	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_446	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_446	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_446	N#CCCCCC#N	C111693
PUBCHEM_446	N#Cc1cnccc1	C100549
PUBCHEM_446	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_446	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_446	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_446	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_446	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_446	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_446	N#CC(Br)Br	C3252435
PUBCHEM_446	N#Cc1ccccc1	C100470
PUBCHEM_446	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_446	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_446	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_446	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_446	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_446	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_446	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_446	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_446	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_446	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_447	C=CC#N	C107131
PUBCHEM_447	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_447	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_447	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_447	N#CCC#N	C109773
PUBCHEM_447	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_447	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_447	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_447	CC(=C)C#N	C126987
PUBCHEM_447	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_447	C(C)(C)(O)C#N	C75865
PUBCHEM_447	N#CC(CCC#N)C	C4553622
PUBCHEM_447	N#CC(C)C	C78820
PUBCHEM_447	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_447	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_447	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_447	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_447	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_447	N#Cc1c(O)cccc1	C611201
PUBCHEM_447	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_447	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_447	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_447	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_447	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_447	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_447	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_447	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_447	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_447	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_447	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_447	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_447	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_447	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_447	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_447	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_447	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_447	N#CCCCCC#N	C111693
PUBCHEM_447	N#Cc1cnccc1	C100549
PUBCHEM_447	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_447	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_447	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_447	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_447	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_447	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_447	N#CC(Br)Br	C3252435
PUBCHEM_447	N#Cc1ccccc1	C100470
PUBCHEM_447	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_447	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_447	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_447	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_447	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_447	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_447	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_447	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_447	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_447	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_448	C=CC#N	C107131
PUBCHEM_448	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_448	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_448	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_448	N#CCC#N	C109773
PUBCHEM_448	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_448	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_448	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_448	CC(=C)C#N	C126987
PUBCHEM_448	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_448	C(C)(C)(O)C#N	C75865
PUBCHEM_448	N#CC(CCC#N)C	C4553622
PUBCHEM_448	N#CC(C)C	C78820
PUBCHEM_448	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_448	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_448	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_448	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_448	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_448	N#Cc1c(O)cccc1	C611201
PUBCHEM_448	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_448	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_448	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_448	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_448	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_448	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_448	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_448	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_448	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_448	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_448	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_448	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_448	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_448	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_448	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_448	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_448	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_448	N#CCCCCC#N	C111693
PUBCHEM_448	N#Cc1cnccc1	C100549
PUBCHEM_448	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_448	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_448	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_448	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_448	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_448	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_448	N#CC(Br)Br	C3252435
PUBCHEM_448	N#Cc1ccccc1	C100470
PUBCHEM_448	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_448	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_448	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_448	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_448	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_448	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_448	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_448	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_448	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_448	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_449	C=CC#N	C107131
PUBCHEM_449	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_449	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_449	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_449	N#CCC#N	C109773
PUBCHEM_449	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_449	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_449	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_449	CC(=C)C#N	C126987
PUBCHEM_449	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_449	C(C)(C)(O)C#N	C75865
PUBCHEM_449	N#CC(CCC#N)C	C4553622
PUBCHEM_449	N#CC(C)C	C78820
PUBCHEM_449	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_449	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_449	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_449	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_449	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_449	N#Cc1c(O)cccc1	C611201
PUBCHEM_449	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_449	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_449	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_449	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_449	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_449	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_449	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_449	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_449	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_449	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_449	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_449	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_449	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_449	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_449	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_449	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_449	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_449	N#CCCCCC#N	C111693
PUBCHEM_449	N#Cc1cnccc1	C100549
PUBCHEM_449	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_449	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_449	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_449	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_449	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_449	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_449	N#CC(Br)Br	C3252435
PUBCHEM_449	N#Cc1ccccc1	C100470
PUBCHEM_449	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_449	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_449	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_449	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_449	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_449	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_449	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_449	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_449	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_449	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_450	C=CC#N	C107131
PUBCHEM_450	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_450	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_450	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_450	N#CCC#N	C109773
PUBCHEM_450	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_450	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_450	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_450	CC(=C)C#N	C126987
PUBCHEM_450	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_450	C(C)(C)(O)C#N	C75865
PUBCHEM_450	N#CC(CCC#N)C	C4553622
PUBCHEM_450	N#CC(C)C	C78820
PUBCHEM_450	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_450	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_450	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_450	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_450	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_450	N#Cc1c(O)cccc1	C611201
PUBCHEM_450	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_450	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_450	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_450	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_450	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_450	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_450	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_450	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_450	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_450	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_450	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_450	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_450	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_450	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_450	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_450	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_450	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_450	N#CCCCCC#N	C111693
PUBCHEM_450	N#Cc1cnccc1	C100549
PUBCHEM_450	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_450	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_450	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_450	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_450	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_450	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_450	N#CC(Br)Br	C3252435
PUBCHEM_450	N#Cc1ccccc1	C100470
PUBCHEM_450	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_450	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_450	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_450	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_450	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_450	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_450	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_450	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_450	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_450	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_451	C=CC#N	C107131
PUBCHEM_451	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_451	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_451	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_451	N#CCC#N	C109773
PUBCHEM_451	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_451	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_451	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_451	CC(=C)C#N	C126987
PUBCHEM_451	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_451	C(C)(C)(O)C#N	C75865
PUBCHEM_451	N#CC(CCC#N)C	C4553622
PUBCHEM_451	N#CC(C)C	C78820
PUBCHEM_451	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_451	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_451	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_451	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_451	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_451	N#Cc1c(O)cccc1	C611201
PUBCHEM_451	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_451	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_451	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_451	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_451	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_451	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_451	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_451	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_451	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_451	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_451	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_451	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_451	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_451	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_451	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_451	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_451	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_451	N#CCCCCC#N	C111693
PUBCHEM_451	N#Cc1cnccc1	C100549
PUBCHEM_451	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_451	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_451	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_451	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_451	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_451	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_451	N#CC(Br)Br	C3252435
PUBCHEM_451	N#Cc1ccccc1	C100470
PUBCHEM_451	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_451	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_451	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_451	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_451	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_451	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_451	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_451	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_451	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_451	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_452	C=CC#N	C107131
PUBCHEM_452	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_452	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_452	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_452	N#CCC#N	C109773
PUBCHEM_452	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_452	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_452	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_452	CC(=C)C#N	C126987
PUBCHEM_452	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_452	C(C)(C)(O)C#N	C75865
PUBCHEM_452	N#CC(CCC#N)C	C4553622
PUBCHEM_452	N#CC(C)C	C78820
PUBCHEM_452	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_452	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_452	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_452	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_452	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_452	N#Cc1c(O)cccc1	C611201
PUBCHEM_452	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_452	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_452	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_452	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_452	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_452	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_452	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_452	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_452	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_452	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_452	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_452	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_452	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_452	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_452	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_452	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_452	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_452	N#CCCCCC#N	C111693
PUBCHEM_452	N#Cc1cnccc1	C100549
PUBCHEM_452	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_452	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_452	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_452	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_452	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_452	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_452	N#CC(Br)Br	C3252435
PUBCHEM_452	N#Cc1ccccc1	C100470
PUBCHEM_452	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_452	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_452	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_452	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_452	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_452	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_452	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_452	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_452	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_452	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_453	C=CC#N	C107131
PUBCHEM_453	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_453	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_453	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_453	N#CCC#N	C109773
PUBCHEM_453	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_453	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_453	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_453	CC(=C)C#N	C126987
PUBCHEM_453	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_453	C(C)(C)(O)C#N	C75865
PUBCHEM_453	N#CC(CCC#N)C	C4553622
PUBCHEM_453	N#CC(C)C	C78820
PUBCHEM_453	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_453	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_453	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_453	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_453	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_453	N#Cc1c(O)cccc1	C611201
PUBCHEM_453	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_453	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_453	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_453	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_453	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_453	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_453	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_453	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_453	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_453	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_453	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_453	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_453	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_453	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_453	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_453	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_453	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_453	N#CCCCCC#N	C111693
PUBCHEM_453	N#Cc1cnccc1	C100549
PUBCHEM_453	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_453	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_453	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_453	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_453	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_453	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_453	N#CC(Br)Br	C3252435
PUBCHEM_453	N#Cc1ccccc1	C100470
PUBCHEM_453	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_453	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_453	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_453	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_453	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_453	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_453	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_453	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_453	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_453	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_454	C=CC#N	C107131
PUBCHEM_454	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_454	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_454	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_454	N#CCC#N	C109773
PUBCHEM_454	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_454	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_454	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_454	CC(=C)C#N	C126987
PUBCHEM_454	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_454	C(C)(C)(O)C#N	C75865
PUBCHEM_454	N#CC(CCC#N)C	C4553622
PUBCHEM_454	N#CC(C)C	C78820
PUBCHEM_454	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_454	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_454	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_454	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_454	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_454	N#Cc1c(O)cccc1	C611201
PUBCHEM_454	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_454	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_454	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_454	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_454	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_454	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_454	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_454	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_454	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_454	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_454	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_454	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_454	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_454	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_454	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_454	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_454	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_454	N#CCCCCC#N	C111693
PUBCHEM_454	N#Cc1cnccc1	C100549
PUBCHEM_454	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_454	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_454	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_454	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_454	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_454	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_454	N#CC(Br)Br	C3252435
PUBCHEM_454	N#Cc1ccccc1	C100470
PUBCHEM_454	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_454	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_454	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_454	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_454	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_454	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_454	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_454	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_454	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_454	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_455	C=CC#N	C107131
PUBCHEM_455	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_455	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_455	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_455	N#CCC#N	C109773
PUBCHEM_455	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_455	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_455	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_455	CC(=C)C#N	C126987
PUBCHEM_455	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_455	C(C)(C)(O)C#N	C75865
PUBCHEM_455	N#CC(CCC#N)C	C4553622
PUBCHEM_455	N#CC(C)C	C78820
PUBCHEM_455	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_455	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_455	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_455	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_455	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_455	N#Cc1c(O)cccc1	C611201
PUBCHEM_455	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_455	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_455	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_455	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_455	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_455	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_455	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_455	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_455	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_455	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_455	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_455	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_455	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_455	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_455	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_455	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_455	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_455	N#CCCCCC#N	C111693
PUBCHEM_455	N#Cc1cnccc1	C100549
PUBCHEM_455	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_455	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_455	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_455	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_455	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_455	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_455	N#CC(Br)Br	C3252435
PUBCHEM_455	N#Cc1ccccc1	C100470
PUBCHEM_455	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_455	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_455	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_455	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_455	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_455	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_455	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_455	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_455	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_455	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_456	C=CC#N	C107131
PUBCHEM_456	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_456	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_456	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_456	N#CCC#N	C109773
PUBCHEM_456	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_456	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_456	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_456	CC(=C)C#N	C126987
PUBCHEM_456	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_456	C(C)(C)(O)C#N	C75865
PUBCHEM_456	N#CC(CCC#N)C	C4553622
PUBCHEM_456	N#CC(C)C	C78820
PUBCHEM_456	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_456	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_456	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_456	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_456	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_456	N#Cc1c(O)cccc1	C611201
PUBCHEM_456	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_456	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_456	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_456	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_456	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_456	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_456	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_456	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_456	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_456	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_456	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_456	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_456	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_456	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_456	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_456	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_456	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_456	N#CCCCCC#N	C111693
PUBCHEM_456	N#Cc1cnccc1	C100549
PUBCHEM_456	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_456	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_456	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_456	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_456	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_456	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_456	N#CC(Br)Br	C3252435
PUBCHEM_456	N#Cc1ccccc1	C100470
PUBCHEM_456	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_456	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_456	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_456	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_456	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_456	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_456	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_456	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_456	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_456	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_457	C=CC#N	C107131
PUBCHEM_457	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_457	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_457	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_457	N#CCC#N	C109773
PUBCHEM_457	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_457	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_457	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_457	CC(=C)C#N	C126987
PUBCHEM_457	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_457	C(C)(C)(O)C#N	C75865
PUBCHEM_457	N#CC(CCC#N)C	C4553622
PUBCHEM_457	N#CC(C)C	C78820
PUBCHEM_457	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_457	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_457	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_457	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_457	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_457	N#Cc1c(O)cccc1	C611201
PUBCHEM_457	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_457	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_457	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_457	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_457	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_457	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_457	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_457	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_457	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_457	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_457	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_457	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_457	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_457	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_457	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_457	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_457	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_457	N#CCCCCC#N	C111693
PUBCHEM_457	N#Cc1cnccc1	C100549
PUBCHEM_457	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_457	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_457	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_457	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_457	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_457	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_457	N#CC(Br)Br	C3252435
PUBCHEM_457	N#Cc1ccccc1	C100470
PUBCHEM_457	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_457	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_457	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_457	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_457	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_457	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_457	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_457	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_457	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_457	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_458	C=CC#N	C107131
PUBCHEM_458	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_458	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_458	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_458	N#CCC#N	C109773
PUBCHEM_458	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_458	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_458	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_458	CC(=C)C#N	C126987
PUBCHEM_458	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_458	C(C)(C)(O)C#N	C75865
PUBCHEM_458	N#CC(CCC#N)C	C4553622
PUBCHEM_458	N#CC(C)C	C78820
PUBCHEM_458	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_458	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_458	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_458	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_458	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_458	N#Cc1c(O)cccc1	C611201
PUBCHEM_458	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_458	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_458	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_458	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_458	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_458	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_458	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_458	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_458	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_458	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_458	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_458	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_458	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_458	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_458	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_458	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_458	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_458	N#CCCCCC#N	C111693
PUBCHEM_458	N#Cc1cnccc1	C100549
PUBCHEM_458	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_458	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_458	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_458	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_458	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_458	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_458	N#CC(Br)Br	C3252435
PUBCHEM_458	N#Cc1ccccc1	C100470
PUBCHEM_458	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_458	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_458	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_458	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_458	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_458	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_458	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_458	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_458	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_458	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_459	C=CC#N	C107131
PUBCHEM_459	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_459	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_459	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_459	N#CCC#N	C109773
PUBCHEM_459	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_459	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_459	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_459	CC(=C)C#N	C126987
PUBCHEM_459	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_459	C(C)(C)(O)C#N	C75865
PUBCHEM_459	N#CC(CCC#N)C	C4553622
PUBCHEM_459	N#CC(C)C	C78820
PUBCHEM_459	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_459	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_459	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_459	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_459	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_459	N#Cc1c(O)cccc1	C611201
PUBCHEM_459	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_459	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_459	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_459	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_459	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_459	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_459	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_459	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_459	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_459	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_459	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_459	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_459	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_459	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_459	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_459	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_459	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_459	N#CCCCCC#N	C111693
PUBCHEM_459	N#Cc1cnccc1	C100549
PUBCHEM_459	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_459	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_459	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_459	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_459	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_459	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_459	N#CC(Br)Br	C3252435
PUBCHEM_459	N#Cc1ccccc1	C100470
PUBCHEM_459	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_459	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_459	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_459	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_459	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_459	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_459	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_459	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_459	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_459	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_460	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_460	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_460	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_460	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_460	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_460	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_460	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_460	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_460	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_460	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_460	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_460	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_460	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_460	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_460	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_460	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_461	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_461	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_461	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_461	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_461	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_461	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_461	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_461	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_461	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_461	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_461	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_461	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_461	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_461	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_461	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_461	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_461	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_461	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_461	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_461	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_461	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_461	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_461	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_461	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_461	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_461	Oc1cccc2cccnc12	C148243
PUBCHEM_461	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_461	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_461	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_461	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_461	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_461	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_461	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_461	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_461	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_461	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_461	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_461	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_461	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_461	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_461	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_461	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_461	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_461	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_461	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_461	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_461	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_461	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_461	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_461	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_462	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_462	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_462	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_462	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_462	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_462	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_462	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_462	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_462	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_462	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_462	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_462	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_462	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_462	C(=O)(O)C(C)O	C50215
PUBCHEM_462	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_462	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_462	c1c(CO)occ1	C98000
PUBCHEM_462	C(=O)(O)CO	C79141
PUBCHEM_462	C(=O)(O)C(=O)O	C144627
PUBCHEM_462	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_462	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_462	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_462	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_462	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_462	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_462	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_462	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_462	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_462	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_462	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_462	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_462	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_462	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_462	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_462	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_462	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_462	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_462	OC(C)C(=O)OCCCC	C138227
PUBCHEM_462	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_462	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_462	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_462	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_462	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_462	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_462	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_462	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_462	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_462	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_462	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_462	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_462	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_462	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_462	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_462	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_462	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_462	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_462	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_462	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_462	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_462	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_462	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_462	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_462	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_462	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_462	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_462	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_462	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_462	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_462	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_462	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_462	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_462	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_462	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_462	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_462	O=Cc1ccco1	C98011
PUBCHEM_462	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_462	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_462	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_462	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_462	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_462	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_462	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_462	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_462	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_462	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_462	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_462	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_462	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_462	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_462	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_462	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_462	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_462	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_462	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_462	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_462	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_462	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_462	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_462	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_462	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_462	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_462	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_462	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_462	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_462	CC(=O)C(=O)O	C127173
PUBCHEM_462	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_462	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_462	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_462	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_462	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_462	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_462	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_462	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_462	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_462	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_462	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_462	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_464	C=CCN=C=S	C57067
PUBCHEM_464	Nc1ccccc1.Cl	C142041
PUBCHEM_464	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_464	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_464	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_464	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_464	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_464	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_464	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_464	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_464	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_464	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_464	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_464	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_464	c1cccc2[nH]ccc12	C120729
PUBCHEM_464	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_464	NC(=O)c1cccnc1	C98920
PUBCHEM_464	OC(=O)c1cccnc1	C59676
PUBCHEM_464	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_464	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_464	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_464	Nc1ccc(cc1)N	C106503
PUBCHEM_464	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_464	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_464	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_464	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_464	Nc1ccccc1C.Cl	C636215
PUBCHEM_464	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_464	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_464	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_464	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_464	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_464	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_464	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_464	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_464	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_464	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_464	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_464	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_464	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_464	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_464	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_464	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_464	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_464	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_464	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_464	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_464	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_464	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_464	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_464	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_464	c1ccc2ncsc2c1	C95169
PUBCHEM_464	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_464	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_464	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_464	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_464	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_464	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_464	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_464	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_464	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_464	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_464	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_464	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_464	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_464	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_464	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_464	Nc1cccc(C)c1C	C1300738
PUBCHEM_464	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_464	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_464	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_464	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_464	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_464	Nc1c(C)cccc1CC	C24549062
PUBCHEM_464	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_464	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_464	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_464	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_464	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_464	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_464	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_464	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_464	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_464	OCn1nc(C)cc1C	C85264331
PUBCHEM_464	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_464	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_464	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_464	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_464	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_464	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_464	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_464	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_464	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_464	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_464	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_464	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_464	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_464	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_464	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_464	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_464	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_464	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_464	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_464	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_464	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_464	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_464	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_464	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_464	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_464	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_464	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_464	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_464	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_464	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_464	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_464	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_464	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_464	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_464	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_464	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_464	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_464	Oc1ccccc1CN(C)C	C120650
PUBCHEM_464	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_464	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_464	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_464	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_464	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_464	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_464	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_464	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_464	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_464	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_464	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_464	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_464	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_464	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_464	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_464	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_464	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_464	O=C(N)Nc1ccccc1	C64108
PUBCHEM_464	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_464	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_464	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_464	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_464	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_464	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_464	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_464	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_464	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_464	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_464	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_464	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_464	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_464	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_464	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_464	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_464	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_464	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_464	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_464	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_464	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_464	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_464	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_464	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_464	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_464	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_464	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_464	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_464	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_464	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_464	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_464	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_464	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_464	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_464	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_464	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_464	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_464	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_464	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_464	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_464	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_464	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_464	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_464	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_464	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_464	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_464	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_464	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_464	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_464	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_464	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_464	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_464	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_464	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_464	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_464	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_464	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_464	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_464	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_464	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_464	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_464	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_464	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_464	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_464	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_464	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_464	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_464	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_464	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_464	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_464	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_464	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_464	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_464	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_464	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_464	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_464	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_464	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_464	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_464	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_464	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_464	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_464	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_464	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_464	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_464	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_464	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_464	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_464	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_464	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_464	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_464	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_464	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_464	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_464	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_464	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_464	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_464	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_464	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_464	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_464	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_464	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_464	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_464	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_464	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_464	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_464	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_464	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_464	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_464	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_464	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_464	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_464	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_464	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_464	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_464	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_464	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_464	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_464	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_464	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_464	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_464	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_464	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_464	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_464	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_464	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_464	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_464	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_464	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_464	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_464	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_464	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_464	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_464	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_464	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_464	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_464	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_464	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_464	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_464	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_464	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_464	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_464	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_464	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_464	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_464	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_464	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_464	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_464	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_464	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_464	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_464	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_464	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_464	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_464	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_464	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_464	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_464	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_464	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_464	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_464	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_464	NC(=O)C=C	C79061
PUBCHEM_464	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_464	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_464	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_464	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_464	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_464	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_464	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_464	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_464	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_464	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_464	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_464	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_464	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_464	Nc1ccc(cc1)Cl	C106478
PUBCHEM_464	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_464	Nc1cc(ccc1OC)C	C120718
PUBCHEM_464	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_464	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_464	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_464	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_464	CN(c1ccccc1)C	C121697
PUBCHEM_464	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_464	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_464	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_464	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_464	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_464	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_464	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_464	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_464	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_464	Oc1cccc2cccnc12	C148243
PUBCHEM_464	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_464	O=C(c1ccncc1)NN	C54853
PUBCHEM_464	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_464	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_464	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_464	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_464	Cc1cc2cccnc2cc1	C91623
PUBCHEM_464	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_464	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_464	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_464	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_464	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_464	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_464	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_464	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_464	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_464	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_464	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_464	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_464	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_464	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_464	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_464	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_464	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_464	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_464	Nc1cc(ccc1)N	C108452
PUBCHEM_464	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_464	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_464	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_464	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_464	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_464	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_464	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_464	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_464	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_464	n1cccc2c1cccc2	C91225
PUBCHEM_464	CCN(CC)c1ccccc1	C91667
PUBCHEM_464	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_464	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_464	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_464	CCNc1cc(C)ccc1	C102272
PUBCHEM_464	Nc1ccc(C)cc1	C106490
PUBCHEM_464	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_464	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_464	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_464	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_464	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_464	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_464	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_464	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_464	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_464	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_464	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_464	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_464	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_464	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_464	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_464	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_464	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_464	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_464	Nc1c(OC)cccc1	C90040
PUBCHEM_464	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_464	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_464	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_464	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_464	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_464	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_464	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_464	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_464	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_464	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_464	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_464	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_464	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_464	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_464	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_464	Nc1cc(C)ccc1N	C496720
PUBCHEM_464	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_464	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_464	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_464	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_464	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_464	N(c1ccccc1)CC	C103695
PUBCHEM_464	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_464	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_464	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_464	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_464	Nc1c(N)cccc1	C95545
PUBCHEM_464	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_464	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_464	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_464	Nc1c(cccc1)C	C95534
PUBCHEM_464	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_464	Nc1c(cccc1C)C	C87627
PUBCHEM_464	N#Cc1cnccc1	C100549
PUBCHEM_464	Nc1cccc(C)c1	C108441
PUBCHEM_464	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_464	Nc1c(CC)cccc1CC	C579668
PUBCHEM_464	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_464	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_464	Nc1cccc(C)c1N	C2687254
PUBCHEM_464	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_464	O=C(N)C(=C)C	C79390
PUBCHEM_464	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_464	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_464	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_464	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_464	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_464	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_464	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_464	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_464	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_464	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_464	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_464	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_464	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_464	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_464	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_464	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_464	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_464	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_464	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_464	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_464	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_464	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_464	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_464	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_464	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_464	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_464	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_464	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_464	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_464	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_464	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_464	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_464	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_464	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_464	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_464	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_464	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_464	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_464	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_464	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_464	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_464	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_464	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_464	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_464	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_464	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_464	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_464	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_464	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_464	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_464	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_464	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_464	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_464	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_464	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_464	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_464	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_464	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_464	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_464	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_464	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_464	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_464	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_464	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_464	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_464	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_464	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_464	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_464	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_464	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_464	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_464	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_464	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_464	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_464	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_464	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_464	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_464	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_464	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_464	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_464	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_464	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_464	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_464	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_464	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_464	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_464	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_464	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_464	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_464	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_464	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_464	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_464	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_464	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_464	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_464	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_464	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_464	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_464	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_464	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_464	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_464	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_464	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_464	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_464	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_464	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_464	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_464	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_464	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_464	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_464	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_464	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_464	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_464	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_464	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_464	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_464	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_464	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_464	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_464	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_464	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_464	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_464	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_464	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_464	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_464	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_464	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_464	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_464	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_464	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_464	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_464	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_464	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_464	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_464	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_464	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_464	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_464	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_464	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_464	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_464	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_464	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_464	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_464	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_464	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_464	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_464	NCc1cccc(CN)c1	C1477550
PUBCHEM_464	n1cc(C)ccc1	C108996
PUBCHEM_464	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_464	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_464	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_464	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_464	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_464	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_464	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_464	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_464	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_464	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_464	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_464	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_464	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_464	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_464	NNc1ccccc1.Cl	C59881
PUBCHEM_464	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_464	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_464	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_464	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_464	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_464	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_464	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_464	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_464	Nc1ccc(Br)cc1	C106401
PUBCHEM_464	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_464	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_464	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_464	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_464	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_464	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_464	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_464	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_464	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_464	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_464	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_464	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_464	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_464	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_464	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_464	Nc1ccc(OC)cc1	C104949
PUBCHEM_464	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_464	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_464	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_464	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_464	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_464	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_464	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_464	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_464	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_464	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_464	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_464	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_464	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_464	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_464	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_464	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_464	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_464	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_464	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_464	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_464	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_464	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_464	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_464	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_464	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_464	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_464	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_464	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_464	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_464	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_464	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_464	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_464	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_464	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_464	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_464	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_464	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_464	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_464	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_464	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_464	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_464	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_464	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_464	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_464	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_464	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_464	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_464	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_464	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_464	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_464	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_464	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_464	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_464	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_464	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_464	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_464	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_464	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_464	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_464	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_464	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_464	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_464	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_464	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_464	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_464	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_464	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_464	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_464	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_464	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_464	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_464	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_464	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_464	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_464	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_464	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_464	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_464	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_464	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_464	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_464	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_464	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_464	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_464	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_464	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_464	Nc1cccc(C)n1	C1824813
PUBCHEM_464	CC1COc2ccccc2N1	C32329207
PUBCHEM_464	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_464	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_464	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_464	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_464	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_464	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_464	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_464	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_464	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_464	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_464	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_464	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_464	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_464	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_465	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_465	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_465	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_465	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_465	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_465	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_465	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_465	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_465	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_465	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_465	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_465	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_465	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_465	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_465	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_465	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_465	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_465	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_465	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_465	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_465	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_465	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_465	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_465	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_465	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_465	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_465	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_465	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_465	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_465	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_465	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_465	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_465	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_465	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_465	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_465	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_465	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_465	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_465	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_465	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_465	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_465	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_465	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_465	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_465	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_465	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_465	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_465	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_465	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_465	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_465	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_465	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_465	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_465	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_465	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_465	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_465	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_465	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_465	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_465	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_465	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_465	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_465	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_465	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_465	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_465	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_465	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_465	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_465	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_465	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_465	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_465	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_465	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_465	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_465	O=S1(=O)CCCO1	C1120714
PUBCHEM_465	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_465	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_465	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_465	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_465	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_465	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_465	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_465	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_465	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_465	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_465	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_465	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_465	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_465	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_465	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_465	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_465	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C29420493
PUBCHEM_465	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_465	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_465	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_465	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_465	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_465	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_465	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_465	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_465	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_465	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_465	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_465	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_465	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_465	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_465	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_465	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_465	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_465	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_465	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_465	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_465	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_465	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_465	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_465	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_465	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_465	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_465	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_465	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_465	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_465	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_465	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_465	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_465	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_465	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_465	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_465	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_465	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_465	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_465	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_465	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_465	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_465	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_465	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_465	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_465	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_465	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_465	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_465	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_465	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_465	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_465	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_465	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_465	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_465	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_465	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_465	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_465	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_466	C=CC#N	C107131
PUBCHEM_466	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_466	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_466	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_466	CC(=C)C#N	C126987
PUBCHEM_466	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_466	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_466	N#Cc1c(O)cccc1	C611201
PUBCHEM_466	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_466	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_466	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_466	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_466	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_466	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_466	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_466	N#Cc1cnccc1	C100549
PUBCHEM_466	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_466	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_466	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_466	N#Cc1ccccc1	C100470
PUBCHEM_466	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_466	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_466	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_466	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_466	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_466	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_466	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_467	c1(nc[nH]n1)N	C61825
PUBCHEM_467	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_467	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_467	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_467	OCn1nc(C)cc1C	C85264331
PUBCHEM_467	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_467	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_467	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_467	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_467	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_467	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_467	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_467	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_467	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_467	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_467	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_467	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_467	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_467	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_467	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_467	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_467	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_467	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_467	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_467	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_467	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_467	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_467	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_467	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_467	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_467	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_467	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_467	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_467	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_467	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_467	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_467	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_467	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_467	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_467	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_467	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_467	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_467	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_467	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_467	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_467	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_467	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_467	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_467	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_467	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_467	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_467	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_467	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_467	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_467	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_467	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_467	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_467	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_467	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_467	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_467	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_467	[nH]1ncnc1	C288880
PUBCHEM_467	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_467	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_467	Nn1cnnc1	C584134
PUBCHEM_467	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_467	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_467	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_467	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_467	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_467	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_467	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_467	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_467	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_467	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_467	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_467	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_467	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_467	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_467	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_467	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_467	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_467	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_467	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_467	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_468	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_468	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_468	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_468	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_468	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_468	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_468	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_468	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_469	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_469	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_469	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_469	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_470	Nc1ccccc1.Cl	C142041
PUBCHEM_470	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_470	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_470	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_470	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_470	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_470	CC(=O)OCc1ccccc1	C140114
PUBCHEM_470	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_470	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_470	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_470	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_470	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_470	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_470	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_470	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_470	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_470	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_470	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_470	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_470	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_470	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_470	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_470	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_470	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_470	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_470	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_470	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_470	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_470	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_470	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_470	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_470	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_470	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_470	c1cccc2[nH]ccc12	C120729
PUBCHEM_470	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_470	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_470	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_470	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_470	COc1ccc(cc1)O	C150765
PUBCHEM_470	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_470	C=Cc1ccc(cc1)C	C622979
PUBCHEM_470	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_470	NC(=O)c1cccnc1	C98920
PUBCHEM_470	OC(=O)c1cccnc1	C59676
PUBCHEM_470	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_470	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_470	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_470	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_470	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_470	Nc1ccc(cc1)N	C106503
PUBCHEM_470	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_470	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_470	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_470	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_470	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_470	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_470	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_470	Nc1ccccc1C.Cl	C636215
PUBCHEM_470	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_470	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_470	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_470	O=CCc1ccccc1	C122781
PUBCHEM_470	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_470	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_470	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_470	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_470	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_470	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_470	O=Cc1ccccc1O	C90028
PUBCHEM_470	Oc1cccc2ccccc12	C90153
PUBCHEM_470	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_470	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_470	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_470	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_470	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_470	Oc1ccc(Cl)cc1	C106489
PUBCHEM_470	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_470	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_470	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_470	Oc1ccc(CC)cc1	C123079
PUBCHEM_470	COc1ccc(OC)cc1	C150787
PUBCHEM_470	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_470	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_470	Oc1ccc(CCC)cc1	C645567
PUBCHEM_470	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_470	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_470	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_470	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_470	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_470	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_470	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_470	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_470	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_470	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_470	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_470	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_470	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_470	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_470	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_470	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_470	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_470	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_470	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_470	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_470	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_470	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_470	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_470	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_470	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_470	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_470	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_470	c1(c(CC)cccc1)O	C90006
PUBCHEM_470	c1c(O)cccc1CC	C620177
PUBCHEM_470	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_470	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_470	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_470	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_470	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_470	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_470	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_470	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_470	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_470	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_470	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_470	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_470	c1cccc(OC)c1O	C90051
PUBCHEM_470	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_470	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_470	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_470	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_470	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_470	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_470	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_470	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_470	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_470	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_470	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_470	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_470	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_470	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_470	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_470	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_470	Cc1cc(O)ccc1	C108394
PUBCHEM_470	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_470	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_470	c1ccc2ncsc2c1	C95169
PUBCHEM_470	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_470	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_470	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_470	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_470	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_470	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_470	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_470	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_470	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_470	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_470	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_470	Cc1c(C)cccc1O	C526750
PUBCHEM_470	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_470	C=Cc1ccccc1C=C	C1321740
PUBCHEM_470	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_470	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_470	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_470	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_470	c1c(CO)occ1	C98000
PUBCHEM_470	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_470	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_470	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_470	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_470	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_470	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_470	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_470	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_470	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_470	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_470	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_470	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_470	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_470	c12ccccc1CCCC2	C119642
PUBCHEM_470	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_470	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_470	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_470	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_470	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_470	Cc1cccc(C)c1	C108383
PUBCHEM_470	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_470	OCCc1ccccc1	C60128
PUBCHEM_470	O=C(O)c1ccccc1O	C69727
PUBCHEM_470	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_470	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_470	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_470	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_470	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_470	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_470	Sc1ccccc1	C108985
PUBCHEM_470	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_470	Oc1ccc2ccccc2c1	C135193
PUBCHEM_470	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_470	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_470	Brc1ccc(F)cc1	C460004
PUBCHEM_470	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_470	ClP(c1ccccc1)Cl	C644973
PUBCHEM_470	OC(C)COc1ccccc1	C770354
PUBCHEM_470	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_470	Nc1cccc(C)c1C	C1300738
PUBCHEM_470	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_470	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_470	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_470	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_470	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_470	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_470	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_470	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_470	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_470	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_470	Nc1c(C)cccc1CC	C24549062
PUBCHEM_470	Clc1cccc(C)c1	C25168052
PUBCHEM_470	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_470	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_470	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_470	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_470	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_470	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_470	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_470	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_470	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_470	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_470	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_470	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_470	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_470	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_470	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_470	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_470	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_470	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_470	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_470	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_470	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_470	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_470	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_470	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_470	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_470	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_470	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_470	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_470	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_470	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_470	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_470	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_470	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_470	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_470	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_470	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_470	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_470	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_470	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_470	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_470	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_470	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_470	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_470	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_470	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_470	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_470	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_470	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_470	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_470	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_470	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_470	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_470	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_470	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_470	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_470	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_470	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_470	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_470	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_470	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_470	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_470	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_470	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_470	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_470	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_470	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_470	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_470	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_470	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_470	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_470	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_470	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_470	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_470	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_470	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_470	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_470	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_470	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_470	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_470	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_470	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_470	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_470	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_470	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_470	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_470	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_470	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_470	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_470	O=C(c1ccccc1O)C	C118934
PUBCHEM_470	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_470	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_470	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_470	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_470	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_470	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_470	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_470	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_470	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_470	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_470	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_470	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_470	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_470	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_470	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_470	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_470	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_470	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_470	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_470	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_470	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_470	Oc1ccccc1CN(C)C	C120650
PUBCHEM_470	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_470	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_470	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_470	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_470	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_470	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_470	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_470	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_470	OCC=Cc1ccccc1	C104541
PUBCHEM_470	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_470	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_470	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_470	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_470	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_470	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_470	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_470	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_470	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_470	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_470	N#Cc1c(O)cccc1	C611201
PUBCHEM_470	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_470	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_470	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_470	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_470	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_470	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_470	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_470	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_470	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_470	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_470	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_470	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_470	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_470	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_470	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_470	c12ccccc1CC=C2	C95136
PUBCHEM_470	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_470	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_470	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_470	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_470	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_470	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_470	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_470	Oc1c(OCC)cccc1	C94713
PUBCHEM_470	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_470	COc1ccc(CCC)cc1	C104450
PUBCHEM_470	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_470	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_470	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_470	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_470	OC(CO)c1ccccc1	C93561
PUBCHEM_470	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_470	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_470	O=C(N)Nc1ccccc1	C64108
PUBCHEM_470	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_470	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_470	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_470	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_470	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_470	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_470	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_470	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_470	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_470	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_470	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_470	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_470	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_470	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_470	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_470	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_470	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_470	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_470	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_470	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_470	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_470	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_470	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_470	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_470	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_470	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_470	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_470	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_470	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_470	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_470	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_470	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_470	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_470	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_470	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_470	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_470	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_470	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_470	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_470	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_470	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_470	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_470	Sc1ccc(C)cc1	C106456
PUBCHEM_470	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_470	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_470	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_470	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_470	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_470	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_470	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_470	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_470	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_470	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_470	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_470	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_470	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_470	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_470	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_470	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_470	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_470	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_470	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_470	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_470	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_470	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_470	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_470	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_470	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_470	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_470	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_470	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_470	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_470	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_470	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_470	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_470	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_470	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_470	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_470	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_470	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_470	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_470	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_470	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_470	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_470	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_470	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_470	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_470	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_470	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_470	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_470	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_470	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_470	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_470	c1ccccc1OCCO	C122996
PUBCHEM_470	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_470	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_470	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_470	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_470	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_470	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_470	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_470	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_470	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_470	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_470	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_470	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_470	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_470	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_470	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_470	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_470	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_470	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_470	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_470	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_470	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_470	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_470	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_470	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_470	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_470	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_470	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_470	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_470	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_470	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_470	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_470	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_470	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_470	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_470	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_470	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_470	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_470	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_470	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_470	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_470	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_470	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_470	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_470	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_470	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_470	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_470	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_470	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_470	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_470	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_470	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_470	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_470	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_470	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_470	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_470	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_470	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_470	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_470	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_470	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_470	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_470	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_470	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_470	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_470	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_470	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_470	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_470	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_470	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_470	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_470	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_470	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_470	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_470	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_470	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_470	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_470	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_470	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_470	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_470	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_470	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_470	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_470	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_470	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_470	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_470	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_470	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_470	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_470	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_470	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_470	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_470	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_470	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_470	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_470	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_470	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_470	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_470	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_470	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_470	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_470	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_470	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_470	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_470	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_470	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_470	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_470	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_470	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_470	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_470	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_470	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_470	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_470	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_470	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_470	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_470	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_470	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_470	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_470	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_470	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_470	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_470	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_470	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_470	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_470	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_470	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_470	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_470	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_470	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_470	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_470	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_470	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_470	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_470	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_470	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_470	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_470	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_470	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_470	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_470	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_470	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_470	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_470	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_470	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_470	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_470	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_470	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_470	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_470	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_470	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_470	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_470	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_470	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_470	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_470	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_470	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_470	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_470	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_470	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_470	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_470	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_470	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_470	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_470	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_470	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_470	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_470	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_470	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_470	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_470	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_470	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_470	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_470	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_470	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_470	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_470	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_470	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_470	c1coc2c1cccc2	C271896
PUBCHEM_470	OC(=O)c1ccccc1	C65850
PUBCHEM_470	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_470	OCc1ccccc1	C100516
PUBCHEM_470	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_470	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_470	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_470	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_470	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_470	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_470	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_470	Oc1c(cccc1)O	C120809
PUBCHEM_470	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_470	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_470	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_470	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_470	O=C(c1ccccc1)CCl	C532274
PUBCHEM_470	Nc1ccc(cc1)Cl	C106478
PUBCHEM_470	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_470	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_470	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_470	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_470	Nc1cc(ccc1OC)C	C120718
PUBCHEM_470	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_470	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_470	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_470	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_470	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_470	Clc1c(cccc1)Cl	C95501
PUBCHEM_470	Clc1ccc(cc1)Cl	C106467
PUBCHEM_470	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_470	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_470	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_470	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_470	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_470	CN(c1ccccc1)C	C121697
PUBCHEM_470	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_470	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_470	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_470	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_470	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_470	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_470	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_470	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_470	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_470	O=Cc1ccco1	C98011
PUBCHEM_470	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_470	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_470	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_470	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_470	Oc1ccc(cc1)O	C123319
PUBCHEM_470	Oc1cccc2cccnc12	C148243
PUBCHEM_470	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_470	O=C(c1ccncc1)NN	C54853
PUBCHEM_470	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_470	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_470	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_470	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_470	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_470	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_470	Cc1cc2cccnc2cc1	C91623
PUBCHEM_470	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_470	c1c2c(ccc1)cccc2	C91203
PUBCHEM_470	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_470	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_470	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_470	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_470	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_470	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_470	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_470	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_470	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_470	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_470	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_470	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_470	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_470	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_470	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_470	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_470	Oc1ccccc1	C108952
PUBCHEM_470	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_470	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_470	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_470	Nc1cc(ccc1)N	C108452
PUBCHEM_470	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_470	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_470	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_470	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_470	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_470	Oc1cc(ccc1)O	C108463
PUBCHEM_470	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_470	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_470	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_470	C1C(c2ccccc2)O1	C96093
PUBCHEM_470	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_470	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_470	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_470	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_470	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_470	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_470	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_470	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_470	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_470	Oc1ccccc1Cl	C95578
PUBCHEM_470	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_470	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_470	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_470	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_470	n1cccc2c1cccc2	C91225
PUBCHEM_470	CCN(CC)c1ccccc1	C91667
PUBCHEM_470	Oc1c(C)cccc1	C95487
PUBCHEM_470	c1ccccc1C(=O)C	C98862
PUBCHEM_470	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_470	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_470	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_470	CCNc1cc(C)ccc1	C102272
PUBCHEM_470	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_470	Oc1ccc(C)cc1	C106445
PUBCHEM_470	Nc1ccc(C)cc1	C106490
PUBCHEM_470	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_470	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_470	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_470	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_470	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_470	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_470	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_470	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_470	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_470	Clc1cc(Cl)ccc1	C541731
PUBCHEM_470	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_470	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_470	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_470	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_470	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_470	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_470	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_470	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_470	c1(CCCC)ccccc1	C104518
PUBCHEM_470	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_470	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_470	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_470	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_470	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_470	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_470	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_470	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_470	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_470	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_470	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_470	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_470	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_470	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_470	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_470	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_470	Nc1c(OC)cccc1	C90040
PUBCHEM_470	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_470	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_470	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_470	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_470	Cc1ccccc1Cl	C95498
PUBCHEM_470	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_470	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_470	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_470	Oc1c(cccc1C)C	C576261
PUBCHEM_470	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_470	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_470	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_470	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_470	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_470	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_470	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_470	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_470	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_470	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_470	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_470	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_470	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_470	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_470	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_470	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_470	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_470	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_470	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_470	Cc1ccc(Cl)cc1	C106434
PUBCHEM_470	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_470	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_470	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_470	Nc1cc(C)ccc1N	C496720
PUBCHEM_470	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_470	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_470	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_470	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_470	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_470	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_470	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_470	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_470	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_470	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_470	N(c1ccccc1)CC	C103695
PUBCHEM_470	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_470	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_470	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_470	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_470	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_470	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_470	Nc1c(N)cccc1	C95545
PUBCHEM_470	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_470	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_470	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_470	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_470	Nc1c(cccc1)C	C95534
PUBCHEM_470	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_470	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_470	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_470	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_470	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_470	Nc1c(cccc1C)C	C87627
PUBCHEM_470	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_470	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_470	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_470	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_470	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_470	N#Cc1cnccc1	C100549
PUBCHEM_470	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_470	Nc1cccc(C)c1	C108441
PUBCHEM_470	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_470	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_470	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_470	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_470	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_470	Nc1c(CC)cccc1CC	C579668
PUBCHEM_470	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_470	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_470	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_470	Nc1cccc(C)c1N	C2687254
PUBCHEM_470	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_470	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_470	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_470	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_470	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_470	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_470	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_470	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_470	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_470	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_470	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_470	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_470	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_470	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_470	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_470	O=Cc1ccccc1C=O	C643798
PUBCHEM_470	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_470	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_470	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_470	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_470	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_470	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_470	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_470	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_470	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_470	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_470	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_470	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_470	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_470	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_470	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_470	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_470	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_470	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_470	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_470	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_470	CCCc1ccccc1	C103651
PUBCHEM_470	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_470	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_470	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_470	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_470	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_470	CC(C)(C)c1ccccc1	C98066
PUBCHEM_470	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_470	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_470	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_470	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_470	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_470	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_470	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_470	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_470	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_470	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_470	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_470	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_470	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_470	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_470	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_470	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_470	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_470	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_470	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_470	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_470	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_470	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_470	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_470	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_470	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_470	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_470	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_470	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_470	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_470	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_470	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_470	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_470	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_470	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_470	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_470	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_470	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_470	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_470	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_470	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_470	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_470	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_470	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_470	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_470	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_470	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_470	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_470	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_470	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_470	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_470	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_470	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_470	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_470	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_470	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_470	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_470	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_470	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_470	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_470	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_470	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_470	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_470	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_470	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_470	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_470	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_470	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_470	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_470	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_470	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_470	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_470	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_470	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_470	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_470	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_470	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_470	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_470	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_470	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_470	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_470	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_470	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_470	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_470	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_470	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_470	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_470	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_470	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_470	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_470	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_470	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_470	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_470	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_470	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_470	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_470	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_470	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_470	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_470	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_470	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_470	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_470	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_470	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_470	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_470	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_470	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_470	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_470	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_470	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_470	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_470	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_470	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_470	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_470	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_470	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_470	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_470	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_470	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_470	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_470	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_470	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_470	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_470	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_470	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_470	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_470	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_470	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_470	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_470	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_470	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_470	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_470	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_470	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_470	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_470	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_470	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_470	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_470	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_470	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_470	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_470	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_470	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_470	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_470	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_470	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_470	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_470	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_470	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_470	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_470	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_470	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_470	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_470	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_470	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_470	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_470	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_470	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_470	O=C(OCC)c1ccccc1	C93890
PUBCHEM_470	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_470	NCc1cccc(CN)c1	C1477550
PUBCHEM_470	n1cc(C)ccc1	C108996
PUBCHEM_470	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_470	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_470	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_470	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_470	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_470	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_470	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_470	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_470	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_470	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_470	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_470	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_470	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_470	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_470	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_470	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_470	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_470	NNc1ccccc1.Cl	C59881
PUBCHEM_470	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_470	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_470	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_470	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_470	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_470	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_470	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_470	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_470	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_470	N#Cc1ccccc1	C100470
PUBCHEM_470	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_470	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_470	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_470	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_470	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_470	Nc1ccc(Br)cc1	C106401
PUBCHEM_470	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_470	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_470	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_470	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_470	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_470	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_470	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_470	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_470	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_470	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_470	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_470	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_470	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_470	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_470	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_470	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_470	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_470	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_470	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_470	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_470	Nc1ccc(OC)cc1	C104949
PUBCHEM_470	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_470	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_470	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_470	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_470	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_470	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_470	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_470	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_470	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_470	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_470	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_470	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_470	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_470	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_470	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_470	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_470	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_470	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_470	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_470	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_470	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_470	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_470	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_470	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_470	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_470	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_470	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_470	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_470	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_470	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_470	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_470	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_470	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_470	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_470	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_470	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_470	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_470	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_470	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_470	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_470	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_470	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_470	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_470	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_470	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_470	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_470	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_470	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_470	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_470	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_470	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_470	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_470	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_470	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_470	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_470	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_470	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_470	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_470	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_470	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_470	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_470	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_470	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_470	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_470	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_470	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_470	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_470	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_470	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_470	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_470	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_470	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_470	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_470	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_470	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_470	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_470	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_470	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_470	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_470	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_470	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_470	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_470	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_470	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_470	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_470	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_470	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_470	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_470	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_470	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_470	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_470	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_470	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_470	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_470	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_470	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_470	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_470	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_470	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_470	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_470	Cl[Hg]c1ccccc1	C100561
PUBCHEM_470	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_470	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_470	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_470	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_470	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_470	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_470	O=[As]c1ccccc1	C637036
PUBCHEM_470	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_470	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_470	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_470	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_470	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_470	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_470	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_470	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_470	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_470	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_470	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_470	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_470	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_470	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_470	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_470	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_470	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_470	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_470	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_470	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_470	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_470	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_470	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_470	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_470	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_470	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_470	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_470	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_470	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_470	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_470	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_470	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_470	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_470	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_470	Nc1cccc(C)n1	C1824813
PUBCHEM_470	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_470	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_470	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_470	CC1COc2ccccc2N1	C32329207
PUBCHEM_470	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_470	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_470	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_470	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_470	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_470	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_470	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_470	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_470	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_470	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_470	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_470	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_470	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_470	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_470	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_470	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_470	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_470	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_470	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_470	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_470	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_470	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_470	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_470	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_470	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_470	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_470	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_470	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_470	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_470	CCCCCc1ccco1	C3777693
PUBCHEM_470	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_471	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_471	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_471	c1ccc2ncsc2c1	C95169
PUBCHEM_471	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_471	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_471	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_471	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_471	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_471	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_471	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_471	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_471	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_471	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_471	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_471	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_471	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_471	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_471	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_471	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_471	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_471	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_471	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_471	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_471	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_471	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_471	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_471	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_471	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_471	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_471	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_472	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_472	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_472	c1cccc2[nH]ccc12	C120729
PUBCHEM_472	NC(=O)c1cccnc1	C98920
PUBCHEM_472	OC(=O)c1cccnc1	C59676
PUBCHEM_472	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_472	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_472	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_472	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_472	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_472	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_472	c1ccc2ncsc2c1	C95169
PUBCHEM_472	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_472	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_472	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_472	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_472	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_472	n1c[nH]cc1	C288324
PUBCHEM_472	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_472	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_472	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_472	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_472	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_472	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_472	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_472	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_472	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_472	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_472	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_472	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_472	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_472	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_472	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_472	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_472	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_472	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_472	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_472	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_472	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_472	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_472	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_472	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_472	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_472	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_472	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_472	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_472	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_472	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_472	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_472	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_472	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_472	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_472	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_472	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_472	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_472	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_472	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_472	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_472	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_472	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_472	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_472	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_472	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_472	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_472	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_472	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_472	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_472	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_472	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_472	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_472	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_472	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_472	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_472	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_472	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_472	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_472	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_472	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_472	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_472	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_472	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_472	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_472	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_472	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_472	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_472	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_472	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_472	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_472	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_472	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_472	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_472	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_472	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_472	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_472	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_472	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_472	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_472	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_472	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_472	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_472	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_472	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_472	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_472	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_472	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_472	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_472	Oc1cccc2cccnc12	C148243
PUBCHEM_472	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_472	O=C(c1ccncc1)NN	C54853
PUBCHEM_472	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_472	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_472	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_472	Cc1cc2cccnc2cc1	C91623
PUBCHEM_472	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_472	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_472	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_472	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_472	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_472	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_472	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_472	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_472	n1cccc2c1cccc2	C91225
PUBCHEM_472	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_472	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_472	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_472	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_472	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_472	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_472	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_472	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_472	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_472	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_472	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_472	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_472	N#Cc1cnccc1	C100549
PUBCHEM_472	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_472	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_472	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_472	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_472	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_472	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_472	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_472	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_472	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_472	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_472	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_472	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_472	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_472	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_472	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_472	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_472	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_472	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_472	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_472	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_472	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_472	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_472	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_472	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_472	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_472	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_472	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_472	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_472	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_472	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_472	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_472	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_472	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_472	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_472	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_472	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_472	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_472	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_472	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_472	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_472	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_472	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_472	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_472	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_472	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_472	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_472	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_472	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_472	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_472	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_472	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_472	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_472	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_472	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_472	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_472	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_472	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_472	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_472	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_472	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_472	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_472	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_472	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_472	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_472	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_472	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_472	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_472	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_472	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_472	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_472	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_472	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_472	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_472	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_472	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_472	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_472	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_472	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_472	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_472	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_472	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_472	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_472	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_472	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_472	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_472	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_472	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_472	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_472	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_472	n1cc(C)ccc1	C108996
PUBCHEM_472	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_472	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_472	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_472	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_472	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_472	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_472	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_472	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_472	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_472	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_472	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_472	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_472	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_472	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_472	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_472	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_472	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_472	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_472	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_472	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_472	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_472	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_472	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_472	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_472	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_472	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_472	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_472	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_472	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_472	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_472	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_472	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_472	Nc1cccc(C)n1	C1824813
PUBCHEM_472	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_472	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_472	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_473	c1ccc2ncsc2c1	C95169
PUBCHEM_473	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_473	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_473	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_473	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_473	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_473	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_473	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_473	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_473	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_473	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_473	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_473	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_473	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_473	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_473	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_473	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_473	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_473	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_473	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_473	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_473	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_473	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_473	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_473	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_473	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_473	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_473	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_473	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_473	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_473	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_473	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_474	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_474	c1ccc2ncsc2c1	C95169
PUBCHEM_474	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_474	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_474	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_474	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_474	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_474	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_474	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_474	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_474	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_474	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_474	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_474	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_474	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_474	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_474	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_474	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_474	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_475	c1ccc2ncsc2c1	C95169
PUBCHEM_475	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_475	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_475	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_475	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_475	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_475	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_475	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_475	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_475	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_475	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_475	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_475	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_475	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_475	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_475	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_475	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_475	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_475	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_475	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_475	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_475	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_475	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_475	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_475	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_475	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_475	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_475	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_475	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_475	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_475	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_475	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_475	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_475	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_475	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_475	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_475	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_475	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_475	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_475	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_476	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_476	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_476	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_476	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_476	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_476	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_476	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_476	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_476	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_476	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_476	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_476	COc1ccc(cc1)O	C150765
PUBCHEM_476	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_476	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_476	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_476	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_476	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_476	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_476	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_476	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_476	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_476	COc1ccc(OC)cc1	C150787
PUBCHEM_476	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_476	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_476	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_476	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_476	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_476	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_476	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_476	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_476	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_476	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_476	c1cccc(OC)c1O	C90051
PUBCHEM_476	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_476	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_476	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_476	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_476	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_476	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_476	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_476	c1c(CO)occ1	C98000
PUBCHEM_476	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_476	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_476	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_476	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_476	OC(C)COc1ccccc1	C770354
PUBCHEM_476	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_476	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_476	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_476	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_476	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_476	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_476	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_476	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_476	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_476	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_476	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_476	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_476	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_476	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_476	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_476	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_476	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_476	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_476	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_476	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_476	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_476	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_476	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_476	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_476	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_476	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_476	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_476	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_476	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_476	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_476	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_476	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_476	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_476	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_476	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_476	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_476	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_476	O1C=CCCC1	C110872
PUBCHEM_476	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_476	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_476	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_476	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_476	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_476	Oc1c(OCC)cccc1	C94713
PUBCHEM_476	COc1ccc(CCC)cc1	C104450
PUBCHEM_476	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_476	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_476	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_476	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_476	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_476	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_476	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_476	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_476	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_476	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_476	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_476	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_476	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_476	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_476	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_476	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_476	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_476	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_476	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_476	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_476	c1ccccc1OCCO	C122996
PUBCHEM_476	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_476	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_476	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_476	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_476	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_476	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_476	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_476	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_476	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_476	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_476	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_476	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_476	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_476	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_476	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_476	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_476	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_476	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_476	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_476	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_476	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_476	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_476	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_476	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_476	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_476	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_476	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_476	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_476	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_476	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_476	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_476	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_476	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_476	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_476	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_476	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_476	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_476	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_476	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_476	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_476	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_476	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_476	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_476	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_476	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_476	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_476	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_476	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_476	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_476	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_476	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_476	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_476	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_476	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_476	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_476	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_476	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_476	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_476	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_476	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_476	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_476	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_476	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_476	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_476	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_476	c1coc2c1cccc2	C271896
PUBCHEM_476	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_476	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_476	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_476	Nc1cc(ccc1OC)C	C120718
PUBCHEM_476	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_476	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_476	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_476	O=Cc1ccco1	C98011
PUBCHEM_476	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_476	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_476	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_476	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_476	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_476	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_476	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_476	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_476	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_476	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_476	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_476	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_476	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_476	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_476	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_476	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_476	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_476	Nc1c(OC)cccc1	C90040
PUBCHEM_476	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_476	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_476	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_476	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_476	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_476	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_476	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_476	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_476	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_476	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_476	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_476	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_476	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_476	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_476	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_476	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_476	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_476	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_476	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_476	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_476	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_476	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_476	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_476	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_476	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_476	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_476	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_476	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_476	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_476	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_476	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_476	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_476	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_476	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_476	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_476	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_476	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_476	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_476	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_476	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_476	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_476	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_476	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_476	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_476	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_476	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_476	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_476	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_476	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_476	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_476	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_476	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_476	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_476	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_476	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_476	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_476	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_476	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_476	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_476	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_476	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_476	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_476	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_476	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_476	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_476	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_476	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_476	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_476	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_476	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_476	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_476	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_476	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_476	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_476	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_476	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_476	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_476	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_476	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_476	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_476	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_476	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_476	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_476	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_476	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_476	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_476	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_476	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_476	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_476	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_476	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_476	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_476	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_476	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_476	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_476	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_476	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_476	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_476	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_476	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_476	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_476	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_476	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_476	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_476	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_476	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_476	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_476	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_476	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_476	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_476	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_476	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_476	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_476	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_476	Nc1ccc(OC)cc1	C104949
PUBCHEM_476	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_476	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_476	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_476	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_476	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_476	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_476	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_476	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_476	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_476	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_476	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_476	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_476	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_476	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_476	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_476	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_476	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_476	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_476	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_476	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_476	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_476	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_476	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_476	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_476	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_476	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_476	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_476	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_476	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_476	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_476	CC1COc2ccccc2N1	C32329207
PUBCHEM_476	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_476	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_476	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_476	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_476	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_476	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_476	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_476	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_476	CCCCCc1ccco1	C3777693
PUBCHEM_477	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_477	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_477	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_477	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_477	OCn1nc(C)cc1C	C85264331
PUBCHEM_477	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_477	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_477	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_477	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_477	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_477	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_477	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_477	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_477	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_477	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_477	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_477	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_477	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_477	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_477	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_477	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_477	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_477	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_477	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_477	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_477	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_477	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_477	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_477	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_477	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_477	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_477	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_477	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_477	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_477	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_477	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_477	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_477	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_477	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_477	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_477	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_477	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_477	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_477	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_477	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_477	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_477	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_477	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_477	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_477	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_477	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_477	NNc1ccccc1.Cl	C59881
PUBCHEM_477	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_477	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_477	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_477	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_479	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_479	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_479	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_479	C(SC#N)SC#N	C6317186
PUBCHEM_479	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_479	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_479	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_479	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_480	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_480	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_480	c1ccc2ncsc2c1	C95169
PUBCHEM_480	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_480	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_480	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_480	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_480	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_480	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_480	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_480	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_480	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_480	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_480	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_480	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_480	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_480	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_480	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_480	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_480	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_480	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_480	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_480	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_480	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_480	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_480	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_480	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_480	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_480	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_480	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_480	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_480	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_480	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_480	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_480	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_481	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_481	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_481	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_481	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_481	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_481	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_481	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_481	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_481	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_481	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_481	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_481	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_481	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_481	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_481	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_481	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_481	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_481	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_481	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_481	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_481	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_481	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_481	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_481	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_481	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_481	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_481	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_481	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_481	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_481	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_481	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_481	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_481	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_481	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_481	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_481	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_481	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_481	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_481	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_481	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_481	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_481	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_481	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_481	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_481	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_481	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_481	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_481	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_481	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_481	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_481	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_481	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_481	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_481	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_481	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_482	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_482	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_482	c1cccc2[nH]ccc12	C120729
PUBCHEM_482	NC(=O)c1cccnc1	C98920
PUBCHEM_482	OC(=O)c1cccnc1	C59676
PUBCHEM_482	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_482	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_482	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_482	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_482	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_482	c1ccc2ncsc2c1	C95169
PUBCHEM_482	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_482	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_482	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_482	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_482	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_482	n1c[nH]cc1	C288324
PUBCHEM_482	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_482	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_482	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_482	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_482	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_482	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_482	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_482	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_482	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_482	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_482	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_482	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_482	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_482	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_482	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_482	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_482	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_482	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_482	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_482	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_482	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_482	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_482	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_482	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_482	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_482	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_482	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_482	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_482	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_482	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_482	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_482	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_482	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_482	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_482	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_482	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_482	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_482	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_482	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_482	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_482	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_482	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_482	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_482	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_482	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_482	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_482	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_482	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_482	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_482	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_482	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_482	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_482	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_482	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_482	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_482	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_482	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_482	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_482	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_482	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_482	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_482	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_482	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_482	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_482	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_482	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_482	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_482	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_482	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_482	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_482	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_482	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_482	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_482	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_482	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_482	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_482	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_482	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_482	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_482	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_482	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_482	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_482	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_482	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_482	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_482	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_482	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_482	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_482	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_482	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_482	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_482	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_482	Oc1cccc2cccnc12	C148243
PUBCHEM_482	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_482	O=C(c1ccncc1)NN	C54853
PUBCHEM_482	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_482	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_482	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_482	Cc1cc2cccnc2cc1	C91623
PUBCHEM_482	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_482	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_482	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_482	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_482	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_482	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_482	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_482	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_482	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_482	n1cccc2c1cccc2	C91225
PUBCHEM_482	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_482	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_482	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_482	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_482	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_482	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_482	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_482	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_482	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_482	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_482	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_482	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_482	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_482	N#Cc1cnccc1	C100549
PUBCHEM_482	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_482	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_482	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_482	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_482	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_482	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_482	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_482	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_482	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_482	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_482	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_482	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_482	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_482	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_482	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_482	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_482	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_482	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_482	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_482	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_482	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_482	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_482	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_482	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_482	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_482	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_482	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_482	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_482	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_482	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_482	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_482	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_482	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_482	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_482	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_482	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_482	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_482	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_482	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_482	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_482	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_482	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_482	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_482	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_482	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_482	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_482	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_482	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_482	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_482	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_482	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_482	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_482	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_482	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_482	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_482	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_482	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_482	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_482	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_482	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_482	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_482	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_482	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_482	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_482	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_482	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_482	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_482	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_482	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_482	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_482	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_482	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_482	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_482	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_482	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_482	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_482	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_482	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_482	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_482	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_482	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_482	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_482	n1cc(C)ccc1	C108996
PUBCHEM_482	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_482	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_482	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_482	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_482	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_482	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_482	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_482	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_482	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_482	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_482	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_482	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_482	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_482	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_482	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_482	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_482	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_482	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_482	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_482	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_482	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_482	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_482	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_482	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_482	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_482	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_482	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_482	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_482	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_482	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_482	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_482	Nc1cccc(C)n1	C1824813
PUBCHEM_482	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_482	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_482	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_483	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_483	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_483	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_483	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_483	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_483	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_483	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_483	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_483	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_483	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_483	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_483	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_483	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_483	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_483	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_483	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_483	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_483	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_483	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_483	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_483	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_483	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_483	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_483	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_483	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_483	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_483	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_483	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_483	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_483	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_483	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_483	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_483	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_483	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_483	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_483	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_483	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_483	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_483	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_483	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_483	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_483	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_483	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_483	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_483	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_483	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_483	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_483	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_483	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_483	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_483	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_483	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_483	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_483	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_483	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_483	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_483	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_483	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_483	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_483	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_484	c1(nc[nH]n1)N	C61825
PUBCHEM_484	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_484	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_484	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_484	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_484	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_484	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_484	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_484	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_484	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_484	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_484	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_484	n1c[nH]cc1	C288324
PUBCHEM_484	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_484	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_484	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_484	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_484	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_484	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_484	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_484	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_484	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_484	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_484	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_484	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_484	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_484	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_484	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_484	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_484	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_484	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_484	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_484	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_484	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_484	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_484	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_484	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_484	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_484	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_484	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_484	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_484	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_484	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_484	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_484	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_484	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_484	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_484	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_484	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_484	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_484	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_484	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_484	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_484	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_484	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_484	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_484	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_484	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_484	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_484	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_484	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_484	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_484	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_484	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_484	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_484	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_484	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_484	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_484	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_484	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_484	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_484	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_484	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_484	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_484	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_484	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_484	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_484	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_484	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_484	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_484	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_484	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_484	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_484	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_484	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_484	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_484	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_484	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_484	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_484	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_484	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_484	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_484	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_484	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_484	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_484	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_484	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_484	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_484	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_484	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_484	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_484	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_484	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_484	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_484	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_484	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_484	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_484	[nH]1ncnc1	C288880
PUBCHEM_484	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_484	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_484	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_484	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_484	Nn1cnnc1	C584134
PUBCHEM_484	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_484	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_484	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_484	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_484	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_484	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_484	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_484	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_484	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_484	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_484	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_484	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_484	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_484	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_484	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_484	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_484	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_484	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_484	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_484	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_484	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_484	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_484	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_484	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_484	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_484	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_484	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_484	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_484	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_484	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_484	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_484	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_484	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_484	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_484	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_484	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_484	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_484	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_484	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_484	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_484	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_484	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_484	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_484	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_484	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_484	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_484	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_484	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_484	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_484	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_484	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_484	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_484	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_484	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_484	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_484	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_484	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_484	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_484	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_484	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_484	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_484	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_484	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_484	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_484	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_484	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_484	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_484	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_484	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_484	Nc1cccc(C)n1	C1824813
PUBCHEM_484	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_484	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_485	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_485	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_485	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_485	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_485	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_485	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_485	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_485	n1c[nH]cc1	C288324
PUBCHEM_485	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_485	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_485	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_485	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_485	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_485	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_485	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_485	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_485	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_485	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_485	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_485	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_485	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_485	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_485	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_485	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_485	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_485	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_485	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_485	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_485	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_485	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_485	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_485	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_485	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_485	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_485	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_485	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_485	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_485	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_485	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_485	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_485	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_485	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_485	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_485	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_485	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_485	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_485	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_485	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_485	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_485	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_485	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_485	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_485	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_485	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_485	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_485	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_485	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_485	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_485	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_485	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_485	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_485	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_485	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_485	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_486	c1(nc[nH]n1)N	C61825
PUBCHEM_486	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_486	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_486	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_486	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_486	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_486	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_486	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_486	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_486	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_486	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_486	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_486	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_486	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_486	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_486	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_486	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_486	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_486	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_486	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_486	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_486	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_486	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_486	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_486	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_486	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_486	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_486	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_486	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_486	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_486	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_486	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_486	[nH]1ncnc1	C288880
PUBCHEM_486	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_486	Nn1cnnc1	C584134
PUBCHEM_486	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_486	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_486	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_486	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_486	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_486	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_486	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_486	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_486	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_486	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_486	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_486	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_486	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_487	c1(nc[nH]n1)N	C61825
PUBCHEM_487	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_487	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_487	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_487	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_487	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_487	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_487	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_487	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_487	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_487	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_487	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_487	n1c[nH]cc1	C288324
PUBCHEM_487	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_487	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_487	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_487	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_487	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_487	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_487	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_487	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_487	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_487	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_487	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_487	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_487	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_487	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_487	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_487	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_487	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_487	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_487	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_487	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_487	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_487	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_487	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_487	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_487	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_487	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_487	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_487	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_487	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_487	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_487	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_487	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_487	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_487	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_487	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_487	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_487	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_487	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_487	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_487	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_487	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_487	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_487	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_487	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_487	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_487	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_487	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_487	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_487	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_487	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_487	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_487	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_487	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_487	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_487	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_487	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_487	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_487	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_487	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_487	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_487	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_487	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_487	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_487	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_487	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_487	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_487	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_487	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_487	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_487	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_487	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_487	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_487	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_487	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_487	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_487	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_487	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_487	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_487	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_487	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_487	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_487	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_487	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_487	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_487	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_487	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_487	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_487	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_487	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_487	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_487	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_487	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_487	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_487	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_487	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_487	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_487	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_487	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_487	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_487	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_487	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_487	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_487	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_487	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_487	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_487	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_487	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_487	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_487	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_487	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_487	[nH]1ncnc1	C288880
PUBCHEM_487	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_487	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_487	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_487	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_487	Nn1cnnc1	C584134
PUBCHEM_487	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_487	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_487	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_487	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_487	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_487	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_487	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_487	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_487	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_487	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_487	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_487	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_487	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_487	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_487	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_487	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_487	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_487	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_487	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_487	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_487	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_487	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_487	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_487	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_487	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_487	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_487	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_487	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_487	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_487	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_487	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_487	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_487	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_487	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_487	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_487	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_487	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_487	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_487	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_487	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_487	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_487	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_487	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_487	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_487	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_487	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_487	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_487	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_487	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_487	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_487	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_487	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_487	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_487	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_487	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_487	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_487	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_487	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_487	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_487	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_487	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_487	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_487	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_487	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_487	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_487	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_487	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_487	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_487	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_487	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_487	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_487	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_487	Nc1cccc(C)n1	C1824813
PUBCHEM_487	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_487	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_489	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_489	c1ccc2ncsc2c1	C95169
PUBCHEM_489	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_489	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_489	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_489	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_489	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_489	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_489	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_489	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_489	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_489	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_489	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_489	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_489	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_489	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_489	CN1CN(C)CSC1=S	C533744
PUBCHEM_489	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_489	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_489	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_489	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_489	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_489	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_489	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_489	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_489	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_489	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_489	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_489	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_489	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_489	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_489	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_489	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_489	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_489	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_489	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_489	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_489	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_489	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_489	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_489	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_489	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_489	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_489	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_489	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_489	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_489	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_489	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_490	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_490	Nc1ccccc1.Cl	C142041
PUBCHEM_490	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_490	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_490	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_490	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_490	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_490	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_490	CC(=O)OCc1ccccc1	C140114
PUBCHEM_490	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_490	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_490	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_490	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_490	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_490	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_490	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_490	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_490	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_490	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_490	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_490	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_490	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_490	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_490	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_490	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_490	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_490	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_490	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_490	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_490	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_490	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_490	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_490	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_490	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_490	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_490	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_490	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_490	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_490	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_490	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_490	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_490	c1cccc2[nH]ccc12	C120729
PUBCHEM_490	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_490	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_490	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_490	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_490	COc1ccc(cc1)O	C150765
PUBCHEM_490	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_490	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_490	C=Cc1ccc(cc1)C	C622979
PUBCHEM_490	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_490	NC(=O)c1cccnc1	C98920
PUBCHEM_490	OC(=O)c1cccnc1	C59676
PUBCHEM_490	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_490	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_490	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_490	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_490	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_490	Nc1ccc(cc1)N	C106503
PUBCHEM_490	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_490	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_490	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_490	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_490	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_490	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_490	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_490	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_490	Nc1ccccc1C.Cl	C636215
PUBCHEM_490	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_490	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_490	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_490	O=CCc1ccccc1	C122781
PUBCHEM_490	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_490	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_490	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_490	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_490	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_490	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_490	O=Cc1ccccc1O	C90028
PUBCHEM_490	Oc1cccc2ccccc12	C90153
PUBCHEM_490	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_490	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_490	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_490	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_490	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_490	Oc1ccc(Cl)cc1	C106489
PUBCHEM_490	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_490	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_490	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_490	Oc1ccc(CC)cc1	C123079
PUBCHEM_490	COc1ccc(OC)cc1	C150787
PUBCHEM_490	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_490	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_490	Oc1ccc(CCC)cc1	C645567
PUBCHEM_490	C=CC(Cl)CCl	C760236
PUBCHEM_490	CC/C=C\CCO	C928961
PUBCHEM_490	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_490	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_490	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_490	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_490	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_490	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_490	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_490	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_490	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_490	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_490	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_490	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_490	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_490	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_490	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_490	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_490	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_490	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_490	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_490	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_490	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_490	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_490	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_490	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_490	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_490	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_490	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_490	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_490	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_490	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_490	c1(c(CC)cccc1)O	C90006
PUBCHEM_490	c1c(O)cccc1CC	C620177
PUBCHEM_490	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_490	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_490	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_490	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_490	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_490	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_490	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_490	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_490	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_490	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_490	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_490	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_490	c1cccc(OC)c1O	C90051
PUBCHEM_490	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_490	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_490	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_490	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_490	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_490	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_490	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_490	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_490	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_490	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_490	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_490	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_490	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_490	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_490	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_490	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_490	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_490	Cc1cc(O)ccc1	C108394
PUBCHEM_490	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_490	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_490	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_490	c1ccc2ncsc2c1	C95169
PUBCHEM_490	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_490	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_490	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_490	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_490	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_490	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_490	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_490	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_490	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_490	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_490	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_490	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_490	Cc1c(C)cccc1O	C526750
PUBCHEM_490	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_490	C=Cc1ccccc1C=C	C1321740
PUBCHEM_490	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_490	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_490	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_490	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_490	CCC(=CCCC)C=O	C645625
PUBCHEM_490	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_490	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_490	c1c(CO)occ1	C98000
PUBCHEM_490	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_490	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_490	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_490	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_490	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_490	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_490	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_490	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_490	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_490	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_490	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_490	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_490	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_490	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_490	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_490	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_490	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_490	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_490	c12ccccc1CCCC2	C119642
PUBCHEM_490	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_490	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_490	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_490	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_490	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_490	Cc1cccc(C)c1	C108383
PUBCHEM_490	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_490	OCCc1ccccc1	C60128
PUBCHEM_490	O=C(O)c1ccccc1O	C69727
PUBCHEM_490	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_490	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_490	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_490	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_490	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_490	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_490	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_490	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_490	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_490	Sc1ccccc1	C108985
PUBCHEM_490	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_490	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_490	Oc1ccc2ccccc2c1	C135193
PUBCHEM_490	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_490	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_490	Brc1ccc(F)cc1	C460004
PUBCHEM_490	C1=CC=CC1	C542927
PUBCHEM_490	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_490	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_490	ClP(c1ccccc1)Cl	C644973
PUBCHEM_490	OC(C)COc1ccccc1	C770354
PUBCHEM_490	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_490	Nc1cccc(C)c1C	C1300738
PUBCHEM_490	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_490	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_490	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_490	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_490	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_490	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_490	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_490	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_490	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_490	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_490	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_490	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_490	Nc1c(C)cccc1CC	C24549062
PUBCHEM_490	Clc1cccc(C)c1	C25168052
PUBCHEM_490	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_490	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_490	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_490	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_490	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_490	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_490	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_490	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_490	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_490	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_490	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_490	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_490	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_490	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_490	O=C(C=C(C)C)C	C141797
PUBCHEM_490	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_490	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_490	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_490	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_490	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_490	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_490	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_490	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_490	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_490	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_490	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_490	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_490	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_490	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_490	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_490	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_490	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_490	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_490	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_490	OCn1nc(C)cc1C	C85264331
PUBCHEM_490	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_490	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_490	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_490	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_490	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_490	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_490	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_490	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_490	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_490	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_490	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_490	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_490	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_490	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_490	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_490	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_490	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_490	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_490	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_490	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_490	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_490	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_490	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_490	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_490	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_490	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_490	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_490	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_490	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_490	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_490	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_490	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_490	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_490	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_490	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_490	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_490	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_490	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_490	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_490	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_490	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_490	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_490	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_490	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_490	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_490	OC(CCCCC)C=C	C3391864
PUBCHEM_490	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_490	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_490	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_490	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_490	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_490	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_490	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_490	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_490	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_490	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_490	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_490	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_490	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_490	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_490	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_490	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_490	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_490	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_490	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_490	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_490	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_490	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_490	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_490	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_490	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_490	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_490	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_490	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_490	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_490	O=C(c1ccccc1O)C	C118934
PUBCHEM_490	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_490	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_490	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_490	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_490	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_490	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_490	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_490	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_490	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_490	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_490	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_490	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_490	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_490	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_490	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_490	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_490	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_490	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_490	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_490	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_490	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_490	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_490	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_490	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_490	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_490	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_490	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_490	Oc1ccccc1CN(C)C	C120650
PUBCHEM_490	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_490	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_490	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_490	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_490	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_490	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_490	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_490	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_490	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_490	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_490	O=C/C=C/CCC	C6728263
PUBCHEM_490	O1C=CCCC1	C110872
PUBCHEM_490	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_490	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_490	OCC=Cc1ccccc1	C104541
PUBCHEM_490	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_490	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_490	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_490	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_490	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_490	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_490	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_490	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_490	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_490	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_490	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_490	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_490	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_490	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_490	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_490	N#Cc1c(O)cccc1	C611201
PUBCHEM_490	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_490	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_490	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_490	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_490	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_490	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_490	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_490	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_490	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_490	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_490	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_490	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_490	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_490	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_490	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_490	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_490	c12ccccc1CC=C2	C95136
PUBCHEM_490	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_490	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_490	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_490	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_490	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_490	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_490	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_490	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_490	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_490	Oc1c(OCC)cccc1	C94713
PUBCHEM_490	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_490	COc1ccc(CCC)cc1	C104450
PUBCHEM_490	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_490	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_490	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_490	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_490	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_490	OC(CO)c1ccccc1	C93561
PUBCHEM_490	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_490	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_490	O=C(N)Nc1ccccc1	C64108
PUBCHEM_490	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_490	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_490	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_490	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_490	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_490	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_490	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_490	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_490	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_490	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_490	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_490	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_490	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_490	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_490	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_490	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_490	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_490	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_490	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_490	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_490	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_490	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_490	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_490	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_490	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_490	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_490	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_490	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_490	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_490	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_490	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_490	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_490	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_490	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_490	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_490	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_490	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_490	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_490	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_490	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_490	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_490	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_490	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_490	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_490	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_490	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_490	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_490	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_490	Sc1ccc(C)cc1	C106456
PUBCHEM_490	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_490	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_490	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_490	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_490	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_490	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_490	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_490	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_490	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_490	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_490	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_490	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_490	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_490	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_490	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_490	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_490	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_490	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_490	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_490	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_490	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_490	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_490	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_490	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_490	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_490	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_490	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_490	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_490	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_490	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_490	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_490	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_490	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_490	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_490	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_490	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_490	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_490	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_490	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_490	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_490	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_490	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_490	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_490	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_490	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_490	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_490	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_490	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_490	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_490	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_490	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_490	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_490	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_490	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_490	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_490	c1ccccc1OCCO	C122996
PUBCHEM_490	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_490	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_490	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_490	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_490	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_490	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_490	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_490	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_490	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_490	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_490	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_490	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_490	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_490	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_490	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_490	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_490	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_490	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_490	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_490	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_490	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_490	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_490	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_490	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_490	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_490	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_490	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_490	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_490	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_490	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_490	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_490	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_490	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_490	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_490	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_490	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_490	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_490	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_490	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_490	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_490	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_490	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_490	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_490	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_490	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_490	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_490	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_490	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_490	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_490	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_490	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_490	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_490	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_490	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_490	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_490	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_490	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_490	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_490	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_490	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_490	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_490	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_490	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_490	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_490	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_490	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_490	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_490	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_490	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_490	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_490	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_490	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_490	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_490	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_490	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_490	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_490	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_490	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_490	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_490	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_490	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_490	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_490	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_490	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_490	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_490	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_490	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_490	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_490	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_490	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_490	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_490	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_490	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_490	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_490	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_490	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_490	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_490	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_490	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_490	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_490	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_490	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_490	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_490	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_490	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_490	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_490	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_490	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_490	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_490	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_490	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_490	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_490	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_490	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_490	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_490	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_490	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_490	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_490	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_490	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_490	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_490	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_490	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_490	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_490	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_490	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_490	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_490	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_490	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_490	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_490	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_490	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_490	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_490	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_490	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_490	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_490	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_490	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_490	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_490	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_490	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_490	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_490	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_490	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_490	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_490	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_490	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_490	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_490	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_490	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_490	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_490	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_490	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_490	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_490	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_490	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_490	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_490	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_490	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_490	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_490	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_490	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_490	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_490	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_490	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_490	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_490	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_490	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_490	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_490	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_490	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_490	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_490	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_490	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_490	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_490	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_490	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_490	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_490	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_490	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_490	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_490	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_490	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_490	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_490	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_490	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_490	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_490	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_490	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_490	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_490	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_490	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_490	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_490	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_490	c1coc2c1cccc2	C271896
PUBCHEM_490	OC(=O)c1ccccc1	C65850
PUBCHEM_490	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_490	OCc1ccccc1	C100516
PUBCHEM_490	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_490	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_490	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_490	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_490	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_490	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_490	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_490	Oc1c(cccc1)O	C120809
PUBCHEM_490	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_490	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_490	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_490	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_490	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_490	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_490	O=C(c1ccccc1)CCl	C532274
PUBCHEM_490	Nc1ccc(cc1)Cl	C106478
PUBCHEM_490	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_490	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_490	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_490	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_490	Nc1cc(ccc1OC)C	C120718
PUBCHEM_490	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_490	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_490	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_490	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_490	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_490	Clc1c(cccc1)Cl	C95501
PUBCHEM_490	Clc1ccc(cc1)Cl	C106467
PUBCHEM_490	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_490	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_490	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_490	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_490	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_490	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_490	CN(c1ccccc1)C	C121697
PUBCHEM_490	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_490	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_490	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_490	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_490	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_490	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_490	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_490	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_490	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_490	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_490	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_490	O=Cc1ccco1	C98011
PUBCHEM_490	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_490	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_490	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_490	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_490	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_490	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_490	Oc1ccc(cc1)O	C123319
PUBCHEM_490	Oc1cccc2cccnc12	C148243
PUBCHEM_490	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_490	O=C(c1ccncc1)NN	C54853
PUBCHEM_490	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_490	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_490	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_490	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_490	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_490	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_490	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_490	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_490	Cc1cc2cccnc2cc1	C91623
PUBCHEM_490	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_490	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_490	c1c2c(ccc1)cccc2	C91203
PUBCHEM_490	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_490	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_490	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_490	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_490	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_490	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_490	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_490	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_490	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_490	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_490	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_490	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_490	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_490	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_490	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_490	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_490	Oc1ccccc1	C108952
PUBCHEM_490	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_490	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_490	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_490	Nc1cc(ccc1)N	C108452
PUBCHEM_490	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_490	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_490	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_490	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_490	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_490	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_490	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_490	Oc1cc(ccc1)O	C108463
PUBCHEM_490	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_490	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_490	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_490	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_490	C1C(c2ccccc2)O1	C96093
PUBCHEM_490	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_490	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_490	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_490	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_490	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_490	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_490	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_490	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_490	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_490	Oc1ccccc1Cl	C95578
PUBCHEM_490	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_490	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_490	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_490	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_490	n1cccc2c1cccc2	C91225
PUBCHEM_490	CCN(CC)c1ccccc1	C91667
PUBCHEM_490	Oc1c(C)cccc1	C95487
PUBCHEM_490	c1ccccc1C(=O)C	C98862
PUBCHEM_490	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_490	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_490	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_490	CCNc1cc(C)ccc1	C102272
PUBCHEM_490	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_490	Oc1ccc(C)cc1	C106445
PUBCHEM_490	Nc1ccc(C)cc1	C106490
PUBCHEM_490	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_490	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_490	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_490	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_490	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_490	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_490	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_490	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_490	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_490	Clc1cc(Cl)ccc1	C541731
PUBCHEM_490	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_490	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_490	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_490	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_490	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_490	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_490	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_490	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_490	c1(CCCC)ccccc1	C104518
PUBCHEM_490	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_490	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_490	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_490	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_490	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_490	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_490	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_490	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_490	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_490	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_490	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_490	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_490	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_490	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_490	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_490	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_490	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_490	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_490	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_490	Nc1c(OC)cccc1	C90040
PUBCHEM_490	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_490	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_490	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_490	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_490	Cc1ccccc1Cl	C95498
PUBCHEM_490	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_490	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_490	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_490	Oc1c(cccc1C)C	C576261
PUBCHEM_490	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_490	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_490	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_490	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_490	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_490	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_490	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_490	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_490	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_490	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_490	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_490	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_490	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_490	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_490	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_490	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_490	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_490	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_490	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_490	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_490	Cc1ccc(Cl)cc1	C106434
PUBCHEM_490	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_490	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_490	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_490	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_490	Nc1cc(C)ccc1N	C496720
PUBCHEM_490	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_490	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_490	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_490	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_490	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_490	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_490	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_490	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_490	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_490	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_490	N(c1ccccc1)CC	C103695
PUBCHEM_490	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_490	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_490	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_490	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_490	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_490	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_490	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_490	Nc1c(N)cccc1	C95545
PUBCHEM_490	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_490	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_490	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_490	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_490	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_490	Nc1c(cccc1)C	C95534
PUBCHEM_490	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_490	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_490	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_490	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_490	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_490	Nc1c(cccc1C)C	C87627
PUBCHEM_490	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_490	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_490	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_490	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_490	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_490	N#Cc1cnccc1	C100549
PUBCHEM_490	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_490	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_490	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_490	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_490	Nc1cccc(C)c1	C108441
PUBCHEM_490	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_490	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_490	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_490	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_490	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_490	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_490	Nc1c(CC)cccc1CC	C579668
PUBCHEM_490	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_490	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_490	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_490	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_490	Nc1cccc(C)c1N	C2687254
PUBCHEM_490	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_490	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_490	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_490	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_490	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_490	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_490	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_490	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_490	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_490	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_490	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_490	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_490	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_490	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_490	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_490	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_490	O=Cc1ccccc1C=O	C643798
PUBCHEM_490	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_490	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_490	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_490	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_490	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_490	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_490	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_490	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_490	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_490	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_490	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_490	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_490	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_490	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_490	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_490	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_490	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_490	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_490	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_490	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_490	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_490	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_490	CCCc1ccccc1	C103651
PUBCHEM_490	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_490	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_490	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_490	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_490	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_490	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_490	CC(C)(C)c1ccccc1	C98066
PUBCHEM_490	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_490	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_490	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_490	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_490	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_490	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_490	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_490	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_490	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_490	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_490	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_490	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_490	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_490	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_490	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_490	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_490	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_490	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_490	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_490	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_490	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_490	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_490	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_490	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_490	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_490	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_490	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_490	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_490	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_490	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_490	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_490	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_490	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_490	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_490	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_490	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_490	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_490	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_490	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_490	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_490	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_490	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_490	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_490	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_490	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_490	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_490	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_490	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_490	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_490	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_490	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_490	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_490	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_490	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_490	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_490	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_490	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_490	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_490	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_490	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_490	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_490	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_490	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_490	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_490	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_490	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_490	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_490	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_490	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_490	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_490	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_490	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_490	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_490	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_490	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_490	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_490	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_490	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_490	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_490	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_490	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_490	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_490	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_490	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_490	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_490	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_490	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_490	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_490	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_490	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_490	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_490	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_490	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_490	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_490	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_490	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_490	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_490	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_490	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_490	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_490	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_490	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_490	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_490	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_490	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_490	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_490	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_490	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_490	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_490	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_490	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_490	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_490	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_490	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_490	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_490	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_490	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_490	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_490	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_490	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_490	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_490	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_490	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_490	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_490	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_490	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_490	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_490	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_490	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_490	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_490	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_490	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_490	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_490	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_490	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_490	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_490	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_490	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_490	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_490	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_490	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_490	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_490	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_490	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_490	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_490	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_490	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_490	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_490	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_490	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_490	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_490	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_490	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_490	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_490	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_490	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_490	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_490	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_490	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_490	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_490	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_490	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_490	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_490	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_490	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_490	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_490	O=C(OCC)c1ccccc1	C93890
PUBCHEM_490	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_490	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_490	NCc1cccc(CN)c1	C1477550
PUBCHEM_490	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_490	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_490	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_490	n1cc(C)ccc1	C108996
PUBCHEM_490	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_490	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_490	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_490	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_490	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_490	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_490	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_490	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_490	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_490	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_490	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_490	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_490	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_490	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_490	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_490	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_490	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_490	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_490	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_490	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_490	NNc1ccccc1.Cl	C59881
PUBCHEM_490	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_490	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_490	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_490	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_490	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_490	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_490	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_490	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_490	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_490	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_490	N#Cc1ccccc1	C100470
PUBCHEM_490	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_490	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_490	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_490	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_490	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_490	Nc1ccc(Br)cc1	C106401
PUBCHEM_490	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_490	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_490	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_490	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_490	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_490	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_490	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_490	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_490	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_490	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_490	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_490	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_490	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_490	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_490	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_490	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_490	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_490	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_490	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_490	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_490	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_490	Nc1ccc(OC)cc1	C104949
PUBCHEM_490	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_490	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_490	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_490	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_490	O=CC=CC=CCCCCC	C25152845
PUBCHEM_490	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_490	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_490	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_490	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_490	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_490	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_490	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_490	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_490	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_490	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_490	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_490	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_490	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_490	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_490	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_490	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_490	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_490	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_490	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_490	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_490	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_490	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_490	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_490	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_490	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_490	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_490	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_490	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_490	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_490	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_490	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_490	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_490	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_490	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_490	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_490	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_490	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_490	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_490	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_490	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_490	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_490	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_490	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_490	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_490	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_490	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_490	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_490	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_490	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_490	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_490	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_490	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_490	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_490	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_490	O=CCCCCCCCCC=C	C112458
PUBCHEM_490	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_490	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_490	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_490	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_490	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_490	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_490	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_490	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_490	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_490	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_490	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_490	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_490	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_490	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_490	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_490	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_490	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_490	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_490	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_490	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_490	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_490	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_490	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_490	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_490	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_490	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_490	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_490	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_490	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_490	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_490	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_490	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_490	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_490	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_490	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_490	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_490	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_490	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_490	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_490	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_490	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_490	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_490	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_490	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_490	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_490	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_490	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_490	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_490	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_490	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_490	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_490	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_490	Cl[Hg]c1ccccc1	C100561
PUBCHEM_490	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_490	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_490	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_490	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_490	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_490	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_490	O=[As]c1ccccc1	C637036
PUBCHEM_490	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_490	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_490	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_490	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_490	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_490	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_490	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_490	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_490	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_490	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_490	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_490	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_490	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_490	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_490	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_490	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_490	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_490	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_490	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_490	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_490	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_490	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_490	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_490	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_490	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_490	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_490	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_490	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_490	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_490	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_490	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_490	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_490	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_490	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_490	Nc1cccc(C)n1	C1824813
PUBCHEM_490	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_490	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_490	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_490	CC1COc2ccccc2N1	C32329207
PUBCHEM_490	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_490	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_490	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_490	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_490	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_490	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_490	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_490	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_490	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_490	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_490	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_490	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_490	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_490	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_490	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_490	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_490	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_490	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_490	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_490	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_490	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_490	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_490	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_490	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_490	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_490	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_490	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_490	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_490	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_490	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_490	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_490	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_490	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_490	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_490	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_490	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_490	CCCCCc1ccco1	C3777693
PUBCHEM_490	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_492	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_492	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_492	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_492	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_492	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_492	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_492	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_492	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_492	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_492	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_492	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_492	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_492	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_492	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_493	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_493	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_493	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_493	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_493	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_493	NC(=O)c1cccnc1	C98920
PUBCHEM_493	OC(=O)c1cccnc1	C59676
PUBCHEM_493	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_493	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_493	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_493	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_493	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_493	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_493	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_493	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_493	O=Cc1ccccc1O	C90028
PUBCHEM_493	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_493	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_493	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_493	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_493	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_493	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_493	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_493	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_493	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_493	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_493	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_493	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_493	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_493	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_493	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_493	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_493	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_493	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_493	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_493	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_493	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_493	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_493	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_493	c1c(CO)occ1	C98000
PUBCHEM_493	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_493	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_493	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_493	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_493	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_493	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_493	O=C(O)c1ccccc1O	C69727
PUBCHEM_493	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_493	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_493	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_493	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_493	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_493	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_493	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_493	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_493	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_493	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_493	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_493	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_493	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_493	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_493	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_493	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_493	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_493	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_493	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_493	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_493	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_493	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_493	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_493	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_493	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_493	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_493	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_493	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_493	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_493	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_493	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_493	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_493	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_493	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_493	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_493	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_493	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_493	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_493	O=C(c1ccccc1O)C	C118934
PUBCHEM_493	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_493	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_493	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_493	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_493	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_493	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_493	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_493	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_493	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_493	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_493	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_493	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_493	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_493	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_493	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_493	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_493	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_493	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_493	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_493	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_493	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_493	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_493	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_493	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_493	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_493	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_493	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_493	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_493	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_493	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_493	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_493	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_493	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_493	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_493	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_493	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_493	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_493	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_493	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_493	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_493	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_493	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_493	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_493	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_493	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_493	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_493	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_493	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_493	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_493	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_493	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_493	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_493	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_493	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_493	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_493	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_493	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_493	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_493	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_493	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_493	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_493	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_493	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_493	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_493	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_493	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_493	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_493	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_493	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_493	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_493	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_493	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_493	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_493	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_493	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_493	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_493	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_493	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_493	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_493	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_493	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_493	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_493	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_493	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_493	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_493	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_493	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_493	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_493	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_493	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_493	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_493	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_493	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_493	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_493	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_493	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_493	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_493	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_493	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_493	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_493	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_493	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_493	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_493	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_493	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_493	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_493	c1coc2c1cccc2	C271896
PUBCHEM_493	OC(=O)c1ccccc1	C65850
PUBCHEM_493	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_493	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_493	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_493	O=C(c1ccccc1)CCl	C532274
PUBCHEM_493	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_493	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_493	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_493	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_493	O=Cc1ccco1	C98011
PUBCHEM_493	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_493	O=C(c1ccncc1)NN	C54853
PUBCHEM_493	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_493	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_493	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_493	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_493	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_493	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_493	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_493	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_493	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_493	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_493	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_493	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_493	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_493	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_493	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_493	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_493	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_493	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_493	c1ccccc1C(=O)C	C98862
PUBCHEM_493	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_493	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_493	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_493	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_493	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_493	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_493	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_493	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_493	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_493	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_493	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_493	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_493	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_493	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_493	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_493	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_493	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_493	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_493	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_493	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_493	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_493	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_493	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_493	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_493	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_493	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_493	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_493	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_493	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_493	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_493	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_493	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_493	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_493	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_493	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_493	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_493	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_493	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_493	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_493	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_493	O=Cc1ccccc1C=O	C643798
PUBCHEM_493	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_493	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_493	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_493	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_493	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_493	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_493	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_493	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_493	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_493	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_493	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_493	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_493	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_493	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_493	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_493	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_493	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_493	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_493	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_493	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_493	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_493	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_493	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_493	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_493	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_493	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_493	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_493	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_493	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_493	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_493	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_493	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_493	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_493	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_493	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_493	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_493	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_493	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_493	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_493	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_493	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_493	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_493	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_493	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_493	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_493	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_493	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_493	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_493	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_493	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_493	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_493	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_493	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_493	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_493	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_493	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_493	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_493	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_493	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_493	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_493	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_493	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_493	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_493	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_493	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_493	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_493	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_493	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_493	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_493	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_493	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_493	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_493	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_493	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_493	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_493	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_493	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_493	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_493	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_493	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_493	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_493	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_493	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_493	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_493	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_493	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_493	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_493	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_493	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_493	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_493	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_493	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_493	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_493	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_493	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_493	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_493	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_493	O=C(OCC)c1ccccc1	C93890
PUBCHEM_493	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_493	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_493	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_493	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_493	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_493	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_493	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_493	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_493	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_493	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_493	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_493	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_493	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_493	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_493	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_493	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_493	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_493	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_493	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_493	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_493	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_493	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_493	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_493	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_493	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_493	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_493	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_493	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_493	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_493	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_493	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_493	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_493	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_493	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_493	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_493	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_493	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_493	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_493	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_493	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_493	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_493	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_493	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_493	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_493	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_493	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_493	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_493	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_493	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_493	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_493	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_493	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_493	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_493	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_493	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_493	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_493	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_493	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_493	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_493	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_493	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_493	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_493	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_493	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_493	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_493	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_493	CCCCCc1ccco1	C3777693
PUBCHEM_493	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_494	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_494	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_494	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_494	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_494	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_494	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_494	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_494	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_494	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_494	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_494	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_494	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_494	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_494	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_494	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_494	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_494	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_494	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_494	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_494	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_494	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_494	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_494	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_494	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_494	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_494	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_494	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_494	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_494	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_494	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_494	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_494	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_494	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_494	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_494	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_494	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_494	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_494	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_494	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_494	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_494	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_494	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_495	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_495	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_495	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_495	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_495	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_495	c1cccc2[nH]ccc12	C120729
PUBCHEM_495	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_495	NC(=O)c1cccnc1	C98920
PUBCHEM_495	OC(=O)c1cccnc1	C59676
PUBCHEM_495	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_495	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_495	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_495	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_495	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_495	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_495	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_495	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_495	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_495	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_495	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_495	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_495	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_495	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_495	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_495	c1ccc2ncsc2c1	C95169
PUBCHEM_495	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_495	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_495	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_495	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_495	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_495	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_495	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_495	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_495	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_495	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_495	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_495	n1c[nH]cc1	C288324
PUBCHEM_495	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_495	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_495	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_495	OCn1nc(C)cc1C	C85264331
PUBCHEM_495	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_495	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_495	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_495	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_495	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_495	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_495	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_495	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_495	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_495	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_495	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_495	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_495	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_495	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_495	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_495	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_495	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_495	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_495	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_495	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_495	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_495	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_495	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_495	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_495	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_495	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_495	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_495	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_495	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_495	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_495	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_495	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_495	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_495	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_495	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_495	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_495	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_495	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_495	O=C(N)Nc1ccccc1	C64108
PUBCHEM_495	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_495	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_495	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_495	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_495	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_495	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_495	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_495	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_495	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_495	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_495	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_495	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_495	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_495	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_495	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_495	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_495	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_495	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_495	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_495	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_495	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_495	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_495	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_495	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_495	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_495	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_495	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_495	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_495	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_495	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_495	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_495	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_495	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_495	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_495	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_495	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_495	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_495	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_495	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_495	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_495	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_495	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_495	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_495	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_495	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_495	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_495	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_495	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_495	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_495	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_495	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_495	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_495	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_495	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_495	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_495	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_495	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_495	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_495	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_495	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_495	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_495	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_495	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_495	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_495	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_495	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_495	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_495	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_495	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_495	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_495	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_495	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_495	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_495	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_495	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_495	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_495	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_495	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_495	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_495	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_495	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_495	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_495	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_495	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_495	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_495	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_495	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_495	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_495	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_495	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_495	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_495	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_495	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_495	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_495	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_495	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_495	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_495	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_495	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_495	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_495	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_495	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_495	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_495	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_495	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_495	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_495	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_495	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_495	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_495	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_495	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_495	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_495	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_495	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_495	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_495	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_495	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_495	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_495	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_495	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_495	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_495	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_495	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_495	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_495	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_495	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_495	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_495	CN(c1ccccc1)C	C121697
PUBCHEM_495	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_495	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_495	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_495	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_495	Oc1cccc2cccnc12	C148243
PUBCHEM_495	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_495	O=C(c1ccncc1)NN	C54853
PUBCHEM_495	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_495	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_495	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_495	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_495	Cc1cc2cccnc2cc1	C91623
PUBCHEM_495	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_495	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_495	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_495	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_495	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_495	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_495	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_495	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_495	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_495	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_495	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_495	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_495	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_495	n1cccc2c1cccc2	C91225
PUBCHEM_495	CCN(CC)c1ccccc1	C91667
PUBCHEM_495	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_495	CCNc1cc(C)ccc1	C102272
PUBCHEM_495	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_495	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_495	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_495	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_495	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_495	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_495	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_495	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_495	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_495	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_495	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_495	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_495	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_495	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_495	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_495	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_495	N(c1ccccc1)CC	C103695
PUBCHEM_495	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_495	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_495	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_495	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_495	N#Cc1cnccc1	C100549
PUBCHEM_495	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_495	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_495	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_495	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_495	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_495	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_495	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_495	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_495	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_495	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_495	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_495	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_495	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_495	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_495	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_495	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_495	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_495	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_495	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_495	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_495	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_495	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_495	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_495	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_495	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_495	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_495	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_495	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_495	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_495	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_495	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_495	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_495	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_495	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_495	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_495	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_495	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_495	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_495	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_495	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_495	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_495	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_495	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_495	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_495	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_495	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_495	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_495	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_495	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_495	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_495	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_495	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_495	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_495	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_495	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_495	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_495	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_495	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_495	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_495	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_495	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_495	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_495	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_495	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_495	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_495	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_495	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_495	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_495	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_495	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_495	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_495	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_495	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_495	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_495	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_495	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_495	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_495	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_495	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_495	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_495	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_495	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_495	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_495	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_495	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_495	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_495	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_495	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_495	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_495	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_495	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_495	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_495	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_495	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_495	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_495	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_495	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_495	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_495	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_495	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_495	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_495	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_495	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_495	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_495	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_495	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_495	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_495	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_495	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_495	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_495	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_495	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_495	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_495	n1cc(C)ccc1	C108996
PUBCHEM_495	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_495	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_495	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_495	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_495	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_495	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_495	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_495	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_495	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_495	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_495	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_495	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_495	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_495	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_495	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_495	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_495	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_495	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_495	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_495	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_495	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_495	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_495	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_495	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_495	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_495	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_495	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_495	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_495	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_495	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_495	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_495	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_495	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_495	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_495	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_495	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_495	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_495	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_495	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_495	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_495	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_495	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_495	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_495	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_495	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_495	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_495	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_495	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_495	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_495	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_495	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_495	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_495	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_495	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_495	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_495	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_495	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_495	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_495	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_495	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_495	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_495	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_495	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_495	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_495	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_495	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_495	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_495	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_495	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_495	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_495	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_495	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_495	Nc1cccc(C)n1	C1824813
PUBCHEM_495	CC1COc2ccccc2N1	C32329207
PUBCHEM_495	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_495	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_495	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_495	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_495	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_495	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_495	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_495	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_497	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_497	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_497	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_497	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_497	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_497	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_497	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_497	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_497	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_497	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_497	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_497	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_497	Oc1cccc2cccnc12	C148243
PUBCHEM_497	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_497	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_497	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_497	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_497	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_497	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_497	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_497	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_497	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_497	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_497	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_497	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_498	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_498	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_498	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_498	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_498	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_498	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_498	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_498	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_498	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_498	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_498	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_498	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_498	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_498	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_498	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_498	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_498	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_498	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_498	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_498	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_498	COc1ccc(cc1)O	C150765
PUBCHEM_498	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_498	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_498	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_498	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_498	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_498	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_498	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_498	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_498	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_498	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_498	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_498	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_498	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_498	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_498	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_498	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_498	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_498	O=Cc1ccccc1O	C90028
PUBCHEM_498	Oc1cccc2ccccc12	C90153
PUBCHEM_498	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_498	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_498	Oc1ccc(Cl)cc1	C106489
PUBCHEM_498	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_498	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_498	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_498	Oc1ccc(CC)cc1	C123079
PUBCHEM_498	COc1ccc(OC)cc1	C150787
PUBCHEM_498	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_498	Oc1ccc(CCC)cc1	C645567
PUBCHEM_498	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_498	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_498	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_498	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_498	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_498	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_498	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_498	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_498	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_498	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_498	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_498	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_498	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_498	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_498	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_498	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_498	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_498	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_498	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_498	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_498	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_498	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_498	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_498	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_498	c1(c(CC)cccc1)O	C90006
PUBCHEM_498	c1c(O)cccc1CC	C620177
PUBCHEM_498	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_498	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_498	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_498	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_498	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_498	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_498	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_498	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_498	c1cccc(OC)c1O	C90051
PUBCHEM_498	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_498	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_498	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_498	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_498	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_498	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_498	Cc1cc(O)ccc1	C108394
PUBCHEM_498	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_498	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_498	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_498	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_498	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_498	Cc1c(C)cccc1O	C526750
PUBCHEM_498	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_498	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_498	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_498	c1c(CO)occ1	C98000
PUBCHEM_498	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_498	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_498	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_498	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_498	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_498	O=C(O)c1ccccc1O	C69727
PUBCHEM_498	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_498	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_498	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_498	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_498	Oc1ccc2ccccc2c1	C135193
PUBCHEM_498	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_498	OC(C)COc1ccccc1	C770354
PUBCHEM_498	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_498	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_498	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_498	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_498	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_498	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_498	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_498	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_498	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_498	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_498	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_498	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_498	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_498	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_498	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_498	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_498	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_498	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_498	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_498	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_498	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_498	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_498	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_498	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_498	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_498	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_498	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_498	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_498	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_498	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_498	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_498	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_498	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_498	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_498	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_498	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_498	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_498	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_498	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_498	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_498	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_498	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_498	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_498	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_498	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_498	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_498	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_498	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_498	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_498	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_498	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_498	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_498	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_498	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_498	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_498	O=C(c1ccccc1O)C	C118934
PUBCHEM_498	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_498	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_498	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_498	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_498	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_498	Oc1ccccc1CN(C)C	C120650
PUBCHEM_498	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_498	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_498	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_498	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_498	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_498	O1C=CCCC1	C110872
PUBCHEM_498	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_498	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_498	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_498	N#Cc1c(O)cccc1	C611201
PUBCHEM_498	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_498	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_498	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_498	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_498	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_498	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_498	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_498	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_498	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_498	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_498	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_498	Oc1c(OCC)cccc1	C94713
PUBCHEM_498	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_498	COc1ccc(CCC)cc1	C104450
PUBCHEM_498	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_498	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_498	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_498	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_498	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_498	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_498	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_498	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_498	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_498	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_498	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_498	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_498	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_498	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_498	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_498	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_498	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_498	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_498	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_498	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_498	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_498	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_498	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_498	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_498	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_498	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_498	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_498	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_498	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_498	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_498	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_498	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_498	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_498	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_498	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_498	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_498	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_498	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_498	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_498	c1ccccc1OCCO	C122996
PUBCHEM_498	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_498	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_498	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_498	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_498	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_498	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_498	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_498	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_498	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_498	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_498	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_498	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_498	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_498	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_498	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_498	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_498	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_498	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_498	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_498	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_498	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_498	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_498	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_498	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_498	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_498	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_498	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_498	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_498	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_498	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_498	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_498	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_498	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_498	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_498	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_498	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_498	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_498	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_498	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_498	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_498	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_498	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_498	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_498	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_498	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_498	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_498	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_498	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_498	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_498	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_498	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_498	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_498	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_498	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_498	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_498	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_498	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_498	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_498	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_498	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_498	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_498	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_498	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_498	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_498	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_498	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_498	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_498	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_498	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_498	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_498	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_498	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_498	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_498	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_498	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_498	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_498	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_498	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_498	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_498	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_498	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_498	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_498	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_498	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_498	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_498	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_498	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_498	c1coc2c1cccc2	C271896
PUBCHEM_498	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_498	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_498	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_498	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_498	Oc1c(cccc1)O	C120809
PUBCHEM_498	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_498	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_498	Nc1cc(ccc1OC)C	C120718
PUBCHEM_498	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_498	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_498	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_498	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_498	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_498	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_498	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_498	O=Cc1ccco1	C98011
PUBCHEM_498	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_498	Oc1ccc(cc1)O	C123319
PUBCHEM_498	Oc1cccc2cccnc12	C148243
PUBCHEM_498	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_498	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_498	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_498	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_498	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_498	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_498	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_498	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_498	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_498	Oc1ccccc1	C108952
PUBCHEM_498	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_498	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_498	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_498	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_498	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_498	Oc1cc(ccc1)O	C108463
PUBCHEM_498	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_498	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_498	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_498	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_498	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_498	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_498	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_498	Oc1ccccc1Cl	C95578
PUBCHEM_498	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_498	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_498	Oc1c(C)cccc1	C95487
PUBCHEM_498	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_498	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_498	Oc1ccc(C)cc1	C106445
PUBCHEM_498	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_498	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_498	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_498	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_498	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_498	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_498	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_498	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_498	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_498	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_498	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_498	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_498	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_498	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_498	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_498	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_498	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_498	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_498	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_498	Nc1c(OC)cccc1	C90040
PUBCHEM_498	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_498	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_498	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_498	Oc1c(cccc1C)C	C576261
PUBCHEM_498	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_498	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_498	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_498	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_498	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_498	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_498	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_498	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_498	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_498	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_498	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_498	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_498	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_498	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_498	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_498	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_498	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_498	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_498	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_498	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_498	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_498	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_498	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_498	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_498	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_498	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_498	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_498	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_498	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_498	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_498	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_498	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_498	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_498	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_498	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_498	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_498	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_498	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_498	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_498	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_498	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_498	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_498	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_498	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_498	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_498	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_498	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_498	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_498	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_498	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_498	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_498	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_498	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_498	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_498	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_498	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_498	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_498	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_498	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_498	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_498	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_498	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_498	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_498	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_498	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_498	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_498	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_498	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_498	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_498	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_498	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_498	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_498	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_498	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_498	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_498	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_498	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_498	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_498	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_498	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_498	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_498	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_498	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_498	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_498	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_498	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_498	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_498	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_498	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_498	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_498	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_498	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_498	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_498	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_498	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_498	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_498	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_498	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_498	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_498	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_498	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_498	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_498	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_498	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_498	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_498	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_498	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_498	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_498	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_498	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_498	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_498	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_498	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_498	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_498	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_498	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_498	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_498	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_498	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_498	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_498	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_498	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_498	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_498	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_498	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_498	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_498	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_498	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_498	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_498	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_498	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_498	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_498	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_498	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_498	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_498	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_498	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_498	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_498	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_498	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_498	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_498	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_498	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_498	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_498	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_498	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_498	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_498	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_498	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_498	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_498	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_498	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_498	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_498	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_498	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_498	Nc1ccc(OC)cc1	C104949
PUBCHEM_498	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_498	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_498	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_498	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_498	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_498	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_498	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_498	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_498	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_498	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_498	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_498	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_498	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_498	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_498	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_498	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_498	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_498	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_498	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_498	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_498	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_498	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_498	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_498	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_498	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_498	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_498	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_498	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_498	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_498	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_498	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_498	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_498	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_498	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_498	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_498	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_498	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_498	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_498	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_498	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_498	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_498	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_498	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_498	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_498	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_498	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_498	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_498	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_498	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_498	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_498	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_498	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_498	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_498	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_498	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_498	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_498	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_498	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_498	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_498	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_498	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_498	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_498	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_498	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_498	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_498	CC1COc2ccccc2N1	C32329207
PUBCHEM_498	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_498	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_498	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_498	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_498	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_498	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_498	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_498	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_498	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_498	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_498	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_498	CCCCCc1ccco1	C3777693
PUBCHEM_499	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_499	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_499	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_499	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_499	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_499	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_499	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_499	n1c[nH]cc1	C288324
PUBCHEM_499	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_499	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_499	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_499	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_499	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_499	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_499	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_499	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_499	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_499	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_499	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_499	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_499	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_499	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_499	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_499	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_499	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_499	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_499	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_499	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_499	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_499	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_499	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_499	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_499	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_499	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_499	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_499	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_499	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_499	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_499	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_499	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_499	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_499	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_499	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_499	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_499	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_499	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_499	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_499	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_499	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_499	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_499	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_499	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_499	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_499	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_499	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_499	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_499	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_499	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_499	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_499	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_499	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_499	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_499	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_499	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_499	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_499	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_499	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_499	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_499	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_499	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_499	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_499	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_500	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_500	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_500	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_500	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_500	c1ccc2ncsc2c1	C95169
PUBCHEM_500	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_500	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_500	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_500	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_500	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_500	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_500	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_500	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_500	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_500	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_500	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_500	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_500	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_500	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_500	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_500	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_500	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_500	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_500	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_500	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_500	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_500	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_500	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_500	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_500	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_500	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_500	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_500	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_500	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_500	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_500	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_500	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_500	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_500	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_500	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_500	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_500	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_500	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_500	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_500	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_500	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_500	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_500	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_500	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_500	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_500	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_500	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_500	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_500	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_500	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_500	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_500	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_500	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_500	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_500	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_500	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_500	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_500	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_500	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_500	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_500	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_500	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_500	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_500	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_500	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_500	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_501	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_501	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_501	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_501	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_501	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_501	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_501	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_501	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_501	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_501	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_501	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_501	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_501	Oc1ccc(Cl)cc1	C106489
PUBCHEM_501	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_501	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_501	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_501	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_501	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_501	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_501	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_501	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_501	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_501	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_501	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_501	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_501	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_501	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_501	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_501	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_501	Clc1cccc(C)c1	C25168052
PUBCHEM_501	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_501	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_501	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_501	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_501	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_501	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_501	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_501	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_501	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_501	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_501	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_501	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_501	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_501	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_501	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_501	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_501	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_501	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_501	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_501	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_501	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_501	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_501	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_501	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_501	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_501	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_501	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_501	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_501	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_501	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_501	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_501	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_501	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_501	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_501	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_501	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_501	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_501	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_501	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_501	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_501	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_501	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_501	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_501	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_501	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_501	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_501	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_501	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_501	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_501	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_501	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_501	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_501	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_501	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_501	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_501	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_501	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_501	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_501	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_501	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_501	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_501	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_501	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_501	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_501	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_501	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_501	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_501	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_501	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_501	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_501	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_501	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_501	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_501	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_501	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_501	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_501	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_501	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_501	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_501	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_501	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_501	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_501	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_501	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_501	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_501	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_501	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_501	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_501	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_501	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_501	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_501	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_501	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_501	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_501	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_501	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_501	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_501	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_501	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_501	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_501	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_501	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_501	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_501	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_501	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_501	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_501	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_501	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_501	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_501	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_501	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_501	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_501	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_501	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_501	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_501	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_501	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_501	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_501	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_501	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_501	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_501	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_501	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_501	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_501	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_501	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_501	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_501	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_501	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_501	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_501	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_501	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_501	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_501	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_501	Nc1ccc(cc1)Cl	C106478
PUBCHEM_501	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_501	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_501	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_501	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_501	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_501	Clc1c(cccc1)Cl	C95501
PUBCHEM_501	Clc1ccc(cc1)Cl	C106467
PUBCHEM_501	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_501	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_501	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_501	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_501	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_501	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_501	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_501	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_501	Oc1ccccc1Cl	C95578
PUBCHEM_501	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_501	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_501	Clc1cc(Cl)ccc1	C541731
PUBCHEM_501	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_501	Cc1ccccc1Cl	C95498
PUBCHEM_501	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_501	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_501	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_501	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_501	Cc1ccc(Cl)cc1	C106434
PUBCHEM_501	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_501	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_501	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_501	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_501	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_501	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_501	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_501	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_501	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_501	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_501	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_501	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_501	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_501	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_501	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_501	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_501	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_501	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_501	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_501	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_501	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_501	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_501	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_501	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_501	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_501	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_501	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_501	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_501	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_501	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_501	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_501	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_501	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_501	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_501	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_501	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_501	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_501	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_501	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_501	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_501	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_501	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_501	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_501	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_501	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_501	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_501	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_501	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_501	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_501	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_501	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_501	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_501	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_501	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_501	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_501	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_501	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_501	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_501	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_501	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_501	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_501	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_501	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_501	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_501	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_501	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_501	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_501	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_501	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_501	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_501	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_501	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_501	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_501	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_501	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_501	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_501	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_501	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_501	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_501	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_501	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_501	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_501	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_501	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_501	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_501	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_501	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_501	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_501	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_501	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_501	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_501	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_501	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_501	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_501	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_501	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_501	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_501	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_501	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_501	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_504	c1(nc[nH]n1)N	C61825
PUBCHEM_504	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_504	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_504	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_504	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_504	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_504	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_504	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_504	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_504	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_504	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_504	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_504	n1c[nH]cc1	C288324
PUBCHEM_504	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_504	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_504	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_504	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_504	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_504	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_504	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_504	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_504	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_504	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_504	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_504	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_504	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_504	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_504	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_504	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_504	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_504	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_504	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_504	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_504	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_504	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_504	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_504	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_504	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_504	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_504	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_504	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_504	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_504	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_504	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_504	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_504	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_504	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_504	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_504	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_504	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_504	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_504	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_504	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_504	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_504	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_504	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_504	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_504	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_504	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_504	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_504	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_504	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_504	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_504	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_504	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_504	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_504	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_504	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_504	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_504	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_504	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_504	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_504	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_504	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_504	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_504	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_504	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_504	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_504	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_504	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_504	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_504	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_504	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_504	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_504	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_504	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_504	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_504	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_504	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_504	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_504	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_504	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_504	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_504	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_504	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_504	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_504	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_504	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_504	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_504	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_504	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_504	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_504	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_504	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_504	[nH]1ncnc1	C288880
PUBCHEM_504	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_504	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_504	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_504	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_504	Nn1cnnc1	C584134
PUBCHEM_504	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_504	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_504	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_504	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_504	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_504	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_504	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_504	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_504	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_504	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_504	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_504	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_504	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_504	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_504	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_504	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_504	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_504	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_504	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_504	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_504	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_504	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_504	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_504	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_504	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_504	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_504	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_504	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_504	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_504	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_504	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_504	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_504	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_504	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_504	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_504	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_504	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_504	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_504	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_504	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_504	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_504	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_504	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_504	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_504	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_504	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_504	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_504	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_504	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_504	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_504	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_504	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_504	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_504	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_504	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_504	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_504	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_504	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_504	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_504	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_505	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_505	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_505	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_505	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_505	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_505	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_505	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_505	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_505	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_505	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_505	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_505	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_505	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_505	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_505	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_505	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_505	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_505	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_505	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_505	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_505	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_505	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_505	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_505	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_505	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_505	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_505	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_505	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_505	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_505	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_505	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_505	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_505	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_505	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_505	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_505	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_505	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_505	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_505	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_505	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_505	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_505	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_505	Oc1ccccc1Cl	C95578
PUBCHEM_505	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_505	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_505	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_505	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_505	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_505	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_505	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_505	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_505	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_505	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_505	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_505	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_505	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_505	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_505	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_506	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_506	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_506	c1cccc2[nH]ccc12	C120729
PUBCHEM_506	NC(=O)c1cccnc1	C98920
PUBCHEM_506	OC(=O)c1cccnc1	C59676
PUBCHEM_506	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_506	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_506	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_506	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_506	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_506	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_506	c1ccc2ncsc2c1	C95169
PUBCHEM_506	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_506	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_506	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_506	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_506	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_506	n1c[nH]cc1	C288324
PUBCHEM_506	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_506	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_506	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_506	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_506	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_506	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_506	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_506	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_506	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_506	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_506	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_506	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_506	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_506	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_506	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_506	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_506	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_506	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_506	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_506	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_506	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_506	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_506	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_506	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_506	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_506	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_506	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_506	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_506	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_506	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_506	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_506	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_506	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_506	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_506	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_506	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_506	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_506	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_506	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_506	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_506	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_506	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_506	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_506	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_506	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_506	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_506	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_506	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_506	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_506	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_506	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_506	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_506	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_506	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_506	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_506	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_506	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_506	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_506	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_506	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_506	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_506	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_506	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_506	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_506	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_506	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_506	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_506	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_506	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_506	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_506	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_506	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_506	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_506	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_506	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_506	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_506	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_506	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_506	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_506	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_506	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_506	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_506	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_506	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_506	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_506	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_506	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_506	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_506	Oc1cccc2cccnc12	C148243
PUBCHEM_506	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_506	O=C(c1ccncc1)NN	C54853
PUBCHEM_506	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_506	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_506	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_506	Cc1cc2cccnc2cc1	C91623
PUBCHEM_506	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_506	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_506	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_506	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_506	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_506	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_506	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_506	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_506	n1cccc2c1cccc2	C91225
PUBCHEM_506	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_506	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_506	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_506	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_506	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_506	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_506	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_506	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_506	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_506	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_506	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_506	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_506	N#Cc1cnccc1	C100549
PUBCHEM_506	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_506	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_506	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_506	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_506	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_506	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_506	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_506	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_506	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_506	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_506	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_506	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_506	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_506	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_506	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_506	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_506	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_506	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_506	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_506	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_506	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_506	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_506	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_506	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_506	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_506	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_506	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_506	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_506	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_506	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_506	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_506	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_506	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_506	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_506	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_506	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_506	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_506	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_506	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_506	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_506	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_506	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_506	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_506	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_506	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_506	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_506	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_506	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_506	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_506	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_506	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_506	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_506	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_506	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_506	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_506	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_506	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_506	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_506	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_506	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_506	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_506	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_506	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_506	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_506	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_506	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_506	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_506	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_506	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_506	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_506	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_506	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_506	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_506	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_506	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_506	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_506	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_506	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_506	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_506	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_506	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_506	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_506	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_506	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_506	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_506	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_506	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_506	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_506	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_506	n1cc(C)ccc1	C108996
PUBCHEM_506	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_506	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_506	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_506	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_506	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_506	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_506	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_506	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_506	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_506	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_506	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_506	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_506	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_506	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_506	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_506	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_506	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_506	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_506	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_506	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_506	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_506	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_506	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_506	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_506	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_506	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_506	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_506	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_506	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_506	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_506	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_506	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_506	Nc1cccc(C)n1	C1824813
PUBCHEM_506	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_506	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_506	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_507	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_507	CCOP(=S)(OCC)SCSC(C)(C)C	C13071799
PUBCHEM_507	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_507	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_507	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_507	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_507	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_507	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_507	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_507	c1ccc2ncsc2c1	C95169
PUBCHEM_507	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_507	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_507	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_507	OCCSCCCCCCCC	C3547339
PUBCHEM_507	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_507	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_507	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_507	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_507	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_507	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_507	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_507	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_507	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_507	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_507	O=C(N(C)C)C(=NOC(=O)NC)SC	C23135220
PUBCHEM_507	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_507	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_507	CSC(=NOC(=O)NC)C	C16752775
PUBCHEM_507	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_507	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_507	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_507	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_507	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_507	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_507	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_507	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_507	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_507	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_507	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_507	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_507	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_507	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_507	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_507	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_507	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_507	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_507	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_507	O=C(O/N=C(\C)/SC)N(C)SN(C(=O)O/N=C(\C)/SC)C	C59669260
PUBCHEM_507	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_507	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_507	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_507	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_507	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_507	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_507	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_507	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_507	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_507	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_507	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_507	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_507	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_507	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_507	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_507	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_507	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_507	ON=CC(C)(C)SC	C1646759
PUBCHEM_507	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_507	S=P(OCC)(OCC)SCSCC	C298022
PUBCHEM_507	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_507	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_507	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_507	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_507	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_507	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_507	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_507	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_507	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_507	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_507	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_507	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_507	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_507	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_507	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_507	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_507	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_507	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_507	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_507	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_507	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_507	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_507	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_507	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_507	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_507	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_507	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_507	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_507	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_507	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_507	O=CCCSC	C3268493
PUBCHEM_507	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_507	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_507	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_507	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_507	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_507	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_507	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_507	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_507	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_507	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_507	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_507	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_507	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_507	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_507	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_507	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_507	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_507	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_507	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_507	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_507	S=C=NCCCSC	C505793
PUBCHEM_507	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_507	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_507	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_507	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_508	S=C(NCC)NCC	C105555
PUBCHEM_508	c1ccc2ncsc2c1	C95169
PUBCHEM_508	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_508	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_508	[S-]C(=S)NC.[Na+]	C137428
PUBCHEM_508	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_508	S=C(NC)NC	C534134
PUBCHEM_508	NNC(=S)NC	C6610293
PUBCHEM_508	S=C1NCCN1	C96457
PUBCHEM_508	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_508	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_508	S=C(N(C)C)SSC(=S)N(C)C	C137268
PUBCHEM_508	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_508	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_508	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_508	CN1CN(C)CSC1=S	C533744
PUBCHEM_508	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_508	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_508	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_508	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_508	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_508	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_508	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_508	CNC(=S)[S-].[Na+].O.O.O	C6734801
PUBCHEM_508	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_508	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_508	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_508	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_508	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_508	S=C([S-])N(C)C.[S-]C(=S)N(C)C.[Zn+2]	C137304
PUBCHEM_508	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_508	[S-]C(=S)N(C)C.[Na+]	C128041
PUBCHEM_508	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_508	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_508	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_508	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_508	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_508	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_508	S=C(NCCCC)NCCCC	C109466
PUBCHEM_508	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_508	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_508	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_508	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_508	S=C(N(C)C)SC(=S)N(C)C	C97745
PUBCHEM_508	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_508	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_508	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_509	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_509	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_509	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_509	Brc1ccc(F)cc1	C460004
PUBCHEM_509	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_509	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_509	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_509	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_509	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_509	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_509	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_509	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_509	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_509	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_509	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_509	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_509	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_509	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_509	Nc1ccc(Br)cc1	C106401
PUBCHEM_509	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_509	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_509	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_509	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_509	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_509	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_509	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_509	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_509	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_509	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_514	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_514	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_514	O=[N+](CC)[O-]	C79243
PUBCHEM_514	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_514	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_514	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_514	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_514	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_514	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_514	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_514	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_514	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_514	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_514	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_514	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_514	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_514	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_514	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_514	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_514	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_514	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_514	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_514	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_514	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_514	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_514	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_514	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_514	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_514	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_514	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_514	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_514	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_514	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_514	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_514	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_514	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_514	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_514	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_514	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_514	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_514	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_514	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_514	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_514	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_514	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_514	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_514	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_514	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_514	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_514	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_514	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_514	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_514	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_514	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_514	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_514	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_514	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_514	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_514	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_514	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_514	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_514	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_514	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_514	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_514	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_514	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_514	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_514	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_514	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_514	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_514	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_514	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_514	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_514	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_514	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_514	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_514	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_514	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_514	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_514	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_514	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_514	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_514	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_514	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_514	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_514	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_514	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_514	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_514	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_514	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_514	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_514	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_514	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_514	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_514	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_514	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_514	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_514	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_514	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_514	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_514	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_514	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_514	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_514	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_514	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_514	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_514	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_514	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_514	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_514	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_514	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_514	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_514	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_514	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_514	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_514	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_514	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_514	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_514	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_514	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_514	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_514	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_514	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_514	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_515	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_515	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_515	O=NN1CCCC1	C930552
PUBCHEM_515	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_515	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_515	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_515	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_515	OCn1nc(C)cc1C	C85264331
PUBCHEM_515	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_515	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_515	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_515	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_515	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_515	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_515	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_515	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_515	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_515	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_515	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_515	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_515	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_515	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_515	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_515	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_515	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_515	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_515	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_515	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_515	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_515	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_515	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_515	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_515	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_515	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_515	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_515	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_515	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_515	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_515	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_515	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_515	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_515	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_515	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_515	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_515	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_515	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_515	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_515	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_515	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_515	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_515	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_515	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_515	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_515	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_515	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_515	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_515	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_515	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_515	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_515	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_515	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_515	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_515	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_515	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_515	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_515	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_515	O=C(c1ccncc1)NN	C54853
PUBCHEM_515	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_515	O=NN(CCCC)CCCC	C924163
PUBCHEM_515	CCN(CC)N=O	C55185
PUBCHEM_515	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_515	O=NN(CCC)CCC	C621647
PUBCHEM_515	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_515	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_515	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_515	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_515	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_515	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_515	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_515	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_515	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_515	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_515	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_515	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_515	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_515	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_515	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_515	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_515	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_515	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_515	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_515	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_515	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_515	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_515	NNc1ccccc1.Cl	C59881
PUBCHEM_515	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_515	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_515	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_515	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_515	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_515	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_517	c1(nc[nH]n1)N	C61825
PUBCHEM_517	CN(C(=O)N)N=O	C684935
PUBCHEM_517	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_517	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_517	NNC(=S)NN	C2231574
PUBCHEM_517	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_517	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_517	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_517	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_517	NNC(=S)NC	C6610293
PUBCHEM_517	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_517	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_517	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_517	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_517	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_517	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_517	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_517	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_517	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_517	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_517	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_517	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_517	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_517	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_517	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_517	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_517	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_517	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_517	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_517	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_517	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_517	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_517	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_517	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_517	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_517	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_517	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_517	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_517	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_517	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_517	[nH]1ncnc1	C288880
PUBCHEM_517	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_517	Nn1cnnc1	C584134
PUBCHEM_517	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_517	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_517	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_517	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_517	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_517	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_517	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_517	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_517	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_517	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_517	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_517	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_517	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_517	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_517	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_517	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_518	CN(C(=O)N)N=O	C684935
PUBCHEM_518	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_518	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_518	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_518	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_518	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_518	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_518	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_518	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_518	S=P(SCn1c(=O)sc(n1)OC)(OC)OC	C950378
PUBCHEM_518	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_518	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_518	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_518	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_518	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_518	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_518	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_518	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_518	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_518	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_518	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_518	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_518	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_518	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_518	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_518	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_518	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_518	O=C(c1ccncc1)NN	C54853
PUBCHEM_518	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_518	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_518	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_518	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_518	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_518	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_518	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_518	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_518	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_518	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_518	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_518	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_519	c1(nc[nH]n1)N	C61825
PUBCHEM_519	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_519	NC(=N)NC#N	C461585
PUBCHEM_519	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_519	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_519	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_519	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_519	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_519	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_519	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_519	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_519	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_519	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_519	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_519	n1c[nH]cc1	C288324
PUBCHEM_519	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_519	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_519	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_519	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_519	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_519	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_519	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_519	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_519	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_519	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_519	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_519	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_519	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_519	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_519	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_519	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_519	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_519	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_519	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_519	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_519	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_519	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_519	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_519	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_519	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_519	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_519	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_519	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_519	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_519	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_519	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_519	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_519	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_519	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_519	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_519	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_519	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_519	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_519	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_519	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_519	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_519	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_519	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_519	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_519	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_519	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_519	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_519	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_519	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_519	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_519	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_519	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_519	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_519	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_519	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_519	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_519	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_519	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_519	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_519	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_519	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_519	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_519	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_519	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_519	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_519	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_519	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_519	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_519	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_519	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_519	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_519	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_519	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_519	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_519	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_519	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_519	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_519	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_519	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_519	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_519	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_519	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_519	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_519	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_519	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_519	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_519	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_519	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_519	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_519	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_519	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_519	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_519	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_519	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_519	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_519	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_519	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_519	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_519	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_519	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_519	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_519	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_519	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_519	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_519	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_519	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_519	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_519	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_519	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_519	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_519	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_519	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_519	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_519	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_519	[nH]1ncnc1	C288880
PUBCHEM_519	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_519	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_519	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_519	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_519	Nn1cnnc1	C584134
PUBCHEM_519	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_519	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_519	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_519	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_519	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_519	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_519	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_519	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_519	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_519	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_519	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_519	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_519	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_519	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_519	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_519	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_519	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_519	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_519	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_519	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_519	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_519	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_519	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_519	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_519	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_519	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_519	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_519	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_519	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_519	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_519	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_519	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_519	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_519	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_519	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_519	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_519	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_519	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_519	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_519	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_519	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_519	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_519	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_519	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_519	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_519	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_519	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_519	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_519	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_519	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_519	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_519	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_519	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_519	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_519	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_519	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_519	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_519	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_519	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_519	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_519	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_519	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_519	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_519	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_519	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_519	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_519	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_519	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_519	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_519	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_519	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_519	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_519	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_519	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_519	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_519	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_519	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_520	Nc1ccccc1.Cl	C142041
PUBCHEM_520	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_520	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_520	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_520	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_520	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_520	CC(=O)OCc1ccccc1	C140114
PUBCHEM_520	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_520	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_520	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_520	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_520	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_520	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_520	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_520	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_520	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_520	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_520	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_520	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_520	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_520	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_520	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_520	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_520	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_520	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_520	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_520	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_520	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_520	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_520	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_520	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_520	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_520	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_520	c1cccc2[nH]ccc12	C120729
PUBCHEM_520	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_520	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_520	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_520	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_520	COc1ccc(cc1)O	C150765
PUBCHEM_520	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_520	C=Cc1ccc(cc1)C	C622979
PUBCHEM_520	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_520	NC(=O)c1cccnc1	C98920
PUBCHEM_520	OC(=O)c1cccnc1	C59676
PUBCHEM_520	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_520	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_520	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_520	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_520	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_520	Nc1ccc(cc1)N	C106503
PUBCHEM_520	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_520	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_520	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_520	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_520	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_520	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_520	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_520	Nc1ccccc1C.Cl	C636215
PUBCHEM_520	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_520	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_520	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_520	O=CCc1ccccc1	C122781
PUBCHEM_520	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_520	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_520	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_520	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_520	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_520	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_520	O=Cc1ccccc1O	C90028
PUBCHEM_520	Oc1cccc2ccccc12	C90153
PUBCHEM_520	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_520	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_520	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_520	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_520	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_520	Oc1ccc(Cl)cc1	C106489
PUBCHEM_520	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_520	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_520	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_520	Oc1ccc(CC)cc1	C123079
PUBCHEM_520	COc1ccc(OC)cc1	C150787
PUBCHEM_520	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_520	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_520	Oc1ccc(CCC)cc1	C645567
PUBCHEM_520	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_520	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_520	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_520	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_520	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_520	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_520	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_520	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_520	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_520	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_520	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_520	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_520	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_520	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_520	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_520	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_520	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_520	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_520	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_520	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_520	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_520	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_520	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_520	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_520	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_520	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_520	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_520	c1(c(CC)cccc1)O	C90006
PUBCHEM_520	c1c(O)cccc1CC	C620177
PUBCHEM_520	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_520	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_520	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_520	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_520	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_520	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_520	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_520	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_520	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_520	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_520	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_520	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_520	c1cccc(OC)c1O	C90051
PUBCHEM_520	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_520	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_520	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_520	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_520	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_520	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_520	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_520	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_520	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_520	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_520	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_520	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_520	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_520	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_520	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_520	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_520	Cc1cc(O)ccc1	C108394
PUBCHEM_520	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_520	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_520	c1ccc2ncsc2c1	C95169
PUBCHEM_520	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_520	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_520	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_520	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_520	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_520	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_520	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_520	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_520	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_520	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_520	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_520	Cc1c(C)cccc1O	C526750
PUBCHEM_520	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_520	C=Cc1ccccc1C=C	C1321740
PUBCHEM_520	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_520	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_520	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_520	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_520	c1c(CO)occ1	C98000
PUBCHEM_520	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_520	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_520	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_520	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_520	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_520	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_520	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_520	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_520	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_520	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_520	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_520	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_520	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_520	c12ccccc1CCCC2	C119642
PUBCHEM_520	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_520	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_520	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_520	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_520	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_520	Cc1cccc(C)c1	C108383
PUBCHEM_520	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_520	OCCc1ccccc1	C60128
PUBCHEM_520	O=C(O)c1ccccc1O	C69727
PUBCHEM_520	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_520	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_520	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_520	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_520	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_520	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_520	Sc1ccccc1	C108985
PUBCHEM_520	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_520	Oc1ccc2ccccc2c1	C135193
PUBCHEM_520	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_520	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_520	Brc1ccc(F)cc1	C460004
PUBCHEM_520	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_520	ClP(c1ccccc1)Cl	C644973
PUBCHEM_520	OC(C)COc1ccccc1	C770354
PUBCHEM_520	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_520	Nc1cccc(C)c1C	C1300738
PUBCHEM_520	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_520	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_520	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_520	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_520	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_520	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_520	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_520	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_520	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_520	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_520	Nc1c(C)cccc1CC	C24549062
PUBCHEM_520	Clc1cccc(C)c1	C25168052
PUBCHEM_520	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_520	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_520	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_520	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_520	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_520	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_520	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_520	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_520	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_520	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_520	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_520	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_520	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_520	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_520	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_520	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_520	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_520	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_520	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_520	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_520	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_520	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_520	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_520	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_520	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_520	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_520	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_520	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_520	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_520	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_520	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_520	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_520	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_520	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_520	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_520	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_520	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_520	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_520	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_520	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_520	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_520	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_520	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_520	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_520	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_520	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_520	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_520	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_520	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_520	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_520	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_520	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_520	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_520	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_520	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_520	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_520	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_520	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_520	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_520	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_520	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_520	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_520	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_520	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_520	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_520	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_520	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_520	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_520	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_520	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_520	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_520	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_520	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_520	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_520	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_520	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_520	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_520	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_520	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_520	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_520	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_520	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_520	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_520	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_520	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_520	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_520	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_520	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_520	O=C(c1ccccc1O)C	C118934
PUBCHEM_520	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_520	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_520	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_520	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_520	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_520	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_520	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_520	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_520	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_520	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_520	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_520	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_520	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_520	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_520	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_520	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_520	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_520	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_520	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_520	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_520	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_520	Oc1ccccc1CN(C)C	C120650
PUBCHEM_520	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_520	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_520	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_520	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_520	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_520	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_520	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_520	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_520	OCC=Cc1ccccc1	C104541
PUBCHEM_520	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_520	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_520	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_520	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_520	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_520	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_520	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_520	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_520	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_520	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_520	N#Cc1c(O)cccc1	C611201
PUBCHEM_520	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_520	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_520	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_520	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_520	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_520	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_520	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_520	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_520	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_520	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_520	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_520	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_520	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_520	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_520	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_520	c12ccccc1CC=C2	C95136
PUBCHEM_520	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_520	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_520	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_520	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_520	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_520	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_520	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_520	Oc1c(OCC)cccc1	C94713
PUBCHEM_520	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_520	COc1ccc(CCC)cc1	C104450
PUBCHEM_520	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_520	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_520	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_520	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_520	OC(CO)c1ccccc1	C93561
PUBCHEM_520	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_520	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_520	O=C(N)Nc1ccccc1	C64108
PUBCHEM_520	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_520	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_520	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_520	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_520	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_520	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_520	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_520	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_520	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_520	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_520	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_520	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_520	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_520	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_520	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_520	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_520	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_520	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_520	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_520	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_520	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_520	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_520	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_520	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_520	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_520	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_520	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_520	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_520	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_520	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_520	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_520	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_520	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_520	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_520	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_520	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_520	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_520	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_520	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_520	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_520	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_520	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_520	Sc1ccc(C)cc1	C106456
PUBCHEM_520	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_520	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_520	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_520	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_520	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_520	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_520	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_520	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_520	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_520	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_520	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_520	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_520	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_520	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_520	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_520	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_520	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_520	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_520	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_520	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_520	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_520	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_520	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_520	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_520	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_520	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_520	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_520	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_520	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_520	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_520	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_520	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_520	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_520	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_520	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_520	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_520	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_520	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_520	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_520	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_520	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_520	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_520	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_520	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_520	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_520	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_520	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_520	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_520	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_520	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_520	c1ccccc1OCCO	C122996
PUBCHEM_520	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_520	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_520	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_520	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_520	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_520	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_520	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_520	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_520	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_520	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_520	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_520	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_520	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_520	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_520	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_520	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_520	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_520	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_520	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_520	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_520	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_520	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_520	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_520	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_520	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_520	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_520	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_520	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_520	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_520	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_520	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_520	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_520	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_520	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_520	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_520	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_520	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_520	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_520	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_520	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_520	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_520	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_520	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_520	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_520	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_520	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_520	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_520	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_520	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_520	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_520	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_520	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_520	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_520	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_520	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_520	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_520	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_520	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_520	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_520	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_520	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_520	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_520	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_520	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_520	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_520	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_520	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_520	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_520	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_520	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_520	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_520	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_520	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_520	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_520	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_520	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_520	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_520	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_520	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_520	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_520	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_520	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_520	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_520	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_520	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_520	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_520	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_520	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_520	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_520	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_520	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_520	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_520	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_520	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_520	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_520	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_520	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_520	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_520	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_520	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_520	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_520	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_520	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_520	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_520	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_520	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_520	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_520	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_520	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_520	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_520	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_520	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_520	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_520	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_520	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_520	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_520	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_520	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_520	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_520	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_520	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_520	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_520	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_520	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_520	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_520	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_520	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_520	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_520	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_520	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_520	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_520	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_520	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_520	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_520	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_520	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_520	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_520	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_520	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_520	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_520	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_520	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_520	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_520	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_520	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_520	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_520	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_520	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_520	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_520	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_520	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_520	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_520	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_520	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_520	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_520	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_520	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_520	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_520	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_520	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_520	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_520	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_520	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_520	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_520	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_520	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_520	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_520	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_520	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_520	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_520	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_520	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_520	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_520	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_520	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_520	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_520	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_520	c1coc2c1cccc2	C271896
PUBCHEM_520	OC(=O)c1ccccc1	C65850
PUBCHEM_520	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_520	OCc1ccccc1	C100516
PUBCHEM_520	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_520	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_520	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_520	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_520	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_520	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_520	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_520	Oc1c(cccc1)O	C120809
PUBCHEM_520	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_520	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_520	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_520	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_520	O=C(c1ccccc1)CCl	C532274
PUBCHEM_520	Nc1ccc(cc1)Cl	C106478
PUBCHEM_520	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_520	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_520	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_520	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_520	Nc1cc(ccc1OC)C	C120718
PUBCHEM_520	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_520	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_520	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_520	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_520	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_520	Clc1c(cccc1)Cl	C95501
PUBCHEM_520	Clc1ccc(cc1)Cl	C106467
PUBCHEM_520	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_520	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_520	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_520	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_520	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_520	CN(c1ccccc1)C	C121697
PUBCHEM_520	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_520	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_520	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_520	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_520	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_520	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_520	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_520	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_520	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_520	O=Cc1ccco1	C98011
PUBCHEM_520	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_520	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_520	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_520	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_520	Oc1ccc(cc1)O	C123319
PUBCHEM_520	Oc1cccc2cccnc12	C148243
PUBCHEM_520	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_520	O=C(c1ccncc1)NN	C54853
PUBCHEM_520	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_520	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_520	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_520	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_520	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_520	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_520	Cc1cc2cccnc2cc1	C91623
PUBCHEM_520	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_520	c1c2c(ccc1)cccc2	C91203
PUBCHEM_520	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_520	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_520	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_520	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_520	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_520	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_520	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_520	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_520	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_520	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_520	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_520	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_520	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_520	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_520	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_520	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_520	Oc1ccccc1	C108952
PUBCHEM_520	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_520	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_520	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_520	Nc1cc(ccc1)N	C108452
PUBCHEM_520	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_520	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_520	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_520	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_520	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_520	Oc1cc(ccc1)O	C108463
PUBCHEM_520	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_520	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_520	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_520	C1C(c2ccccc2)O1	C96093
PUBCHEM_520	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_520	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_520	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_520	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_520	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_520	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_520	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_520	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_520	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_520	Oc1ccccc1Cl	C95578
PUBCHEM_520	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_520	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_520	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_520	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_520	n1cccc2c1cccc2	C91225
PUBCHEM_520	CCN(CC)c1ccccc1	C91667
PUBCHEM_520	Oc1c(C)cccc1	C95487
PUBCHEM_520	c1ccccc1C(=O)C	C98862
PUBCHEM_520	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_520	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_520	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_520	CCNc1cc(C)ccc1	C102272
PUBCHEM_520	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_520	Oc1ccc(C)cc1	C106445
PUBCHEM_520	Nc1ccc(C)cc1	C106490
PUBCHEM_520	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_520	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_520	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_520	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_520	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_520	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_520	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_520	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_520	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_520	Clc1cc(Cl)ccc1	C541731
PUBCHEM_520	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_520	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_520	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_520	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_520	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_520	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_520	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_520	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_520	c1(CCCC)ccccc1	C104518
PUBCHEM_520	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_520	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_520	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_520	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_520	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_520	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_520	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_520	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_520	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_520	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_520	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_520	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_520	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_520	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_520	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_520	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_520	Nc1c(OC)cccc1	C90040
PUBCHEM_520	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_520	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_520	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_520	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_520	Cc1ccccc1Cl	C95498
PUBCHEM_520	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_520	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_520	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_520	Oc1c(cccc1C)C	C576261
PUBCHEM_520	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_520	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_520	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_520	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_520	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_520	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_520	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_520	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_520	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_520	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_520	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_520	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_520	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_520	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_520	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_520	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_520	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_520	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_520	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_520	Cc1ccc(Cl)cc1	C106434
PUBCHEM_520	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_520	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_520	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_520	Nc1cc(C)ccc1N	C496720
PUBCHEM_520	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_520	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_520	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_520	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_520	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_520	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_520	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_520	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_520	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_520	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_520	N(c1ccccc1)CC	C103695
PUBCHEM_520	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_520	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_520	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_520	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_520	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_520	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_520	Nc1c(N)cccc1	C95545
PUBCHEM_520	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_520	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_520	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_520	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_520	Nc1c(cccc1)C	C95534
PUBCHEM_520	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_520	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_520	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_520	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_520	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_520	Nc1c(cccc1C)C	C87627
PUBCHEM_520	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_520	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_520	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_520	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_520	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_520	N#Cc1cnccc1	C100549
PUBCHEM_520	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_520	Nc1cccc(C)c1	C108441
PUBCHEM_520	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_520	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_520	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_520	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_520	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_520	Nc1c(CC)cccc1CC	C579668
PUBCHEM_520	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_520	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_520	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_520	Nc1cccc(C)c1N	C2687254
PUBCHEM_520	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_520	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_520	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_520	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_520	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_520	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_520	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_520	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_520	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_520	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_520	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_520	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_520	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_520	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_520	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_520	O=Cc1ccccc1C=O	C643798
PUBCHEM_520	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_520	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_520	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_520	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_520	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_520	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_520	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_520	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_520	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_520	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_520	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_520	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_520	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_520	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_520	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_520	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_520	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_520	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_520	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_520	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_520	CCCc1ccccc1	C103651
PUBCHEM_520	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_520	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_520	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_520	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_520	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_520	CC(C)(C)c1ccccc1	C98066
PUBCHEM_520	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_520	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_520	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_520	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_520	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_520	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_520	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_520	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_520	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_520	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_520	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_520	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_520	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_520	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_520	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_520	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_520	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_520	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_520	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_520	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_520	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_520	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_520	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_520	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_520	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_520	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_520	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_520	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_520	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_520	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_520	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_520	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_520	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_520	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_520	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_520	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_520	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_520	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_520	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_520	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_520	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_520	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_520	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_520	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_520	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_520	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_520	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_520	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_520	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_520	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_520	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_520	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_520	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_520	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_520	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_520	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_520	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_520	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_520	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_520	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_520	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_520	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_520	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_520	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_520	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_520	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_520	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_520	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_520	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_520	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_520	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_520	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_520	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_520	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_520	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_520	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_520	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_520	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_520	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_520	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_520	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_520	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_520	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_520	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_520	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_520	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_520	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_520	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_520	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_520	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_520	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_520	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_520	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_520	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_520	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_520	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_520	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_520	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_520	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_520	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_520	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_520	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_520	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_520	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_520	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_520	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_520	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_520	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_520	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_520	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_520	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_520	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_520	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_520	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_520	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_520	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_520	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_520	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_520	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_520	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_520	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_520	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_520	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_520	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_520	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_520	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_520	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_520	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_520	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_520	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_520	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_520	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_520	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_520	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_520	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_520	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_520	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_520	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_520	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_520	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_520	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_520	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_520	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_520	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_520	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_520	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_520	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_520	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_520	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_520	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_520	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_520	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_520	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_520	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_520	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_520	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_520	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_520	O=C(OCC)c1ccccc1	C93890
PUBCHEM_520	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_520	NCc1cccc(CN)c1	C1477550
PUBCHEM_520	n1cc(C)ccc1	C108996
PUBCHEM_520	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_520	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_520	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_520	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_520	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_520	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_520	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_520	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_520	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_520	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_520	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_520	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_520	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_520	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_520	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_520	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_520	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_520	NNc1ccccc1.Cl	C59881
PUBCHEM_520	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_520	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_520	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_520	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_520	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_520	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_520	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_520	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_520	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_520	N#Cc1ccccc1	C100470
PUBCHEM_520	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_520	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_520	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_520	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_520	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_520	Nc1ccc(Br)cc1	C106401
PUBCHEM_520	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_520	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_520	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_520	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_520	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_520	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_520	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_520	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_520	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_520	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_520	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_520	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_520	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_520	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_520	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_520	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_520	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_520	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_520	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_520	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_520	Nc1ccc(OC)cc1	C104949
PUBCHEM_520	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_520	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_520	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_520	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_520	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_520	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_520	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_520	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_520	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_520	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_520	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_520	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_520	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_520	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_520	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_520	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_520	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_520	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_520	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_520	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_520	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_520	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_520	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_520	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_520	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_520	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_520	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_520	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_520	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_520	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_520	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_520	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_520	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_520	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_520	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_520	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_520	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_520	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_520	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_520	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_520	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_520	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_520	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_520	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_520	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_520	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_520	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_520	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_520	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_520	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_520	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_520	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_520	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_520	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_520	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_520	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_520	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_520	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_520	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_520	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_520	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_520	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_520	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_520	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_520	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_520	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_520	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_520	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_520	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_520	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_520	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_520	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_520	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_520	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_520	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_520	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_520	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_520	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_520	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_520	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_520	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_520	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_520	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_520	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_520	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_520	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_520	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_520	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_520	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_520	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_520	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_520	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_520	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_520	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_520	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_520	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_520	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_520	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_520	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_520	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_520	Cl[Hg]c1ccccc1	C100561
PUBCHEM_520	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_520	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_520	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_520	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_520	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_520	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_520	O=[As]c1ccccc1	C637036
PUBCHEM_520	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_520	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_520	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_520	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_520	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_520	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_520	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_520	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_520	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_520	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_520	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_520	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_520	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_520	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_520	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_520	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_520	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_520	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_520	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_520	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_520	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_520	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_520	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_520	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_520	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_520	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_520	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_520	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_520	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_520	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_520	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_520	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_520	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_520	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_520	Nc1cccc(C)n1	C1824813
PUBCHEM_520	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_520	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_520	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_520	CC1COc2ccccc2N1	C32329207
PUBCHEM_520	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_520	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_520	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_520	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_520	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_520	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_520	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_520	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_520	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_520	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_520	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_520	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_520	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_520	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_520	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_520	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_520	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_520	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_520	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_520	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_520	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_520	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_520	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_520	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_520	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_520	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_520	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_520	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_520	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_520	CCCCCc1ccco1	C3777693
PUBCHEM_520	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_521	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_521	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_521	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_521	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_521	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_521	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_521	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_521	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_521	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_523	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_523	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_523	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_523	c1cccc2[nH]ccc12	C120729
PUBCHEM_523	NC(=O)c1cccnc1	C98920
PUBCHEM_523	OC(=O)c1cccnc1	C59676
PUBCHEM_523	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_523	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_523	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_523	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_523	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_523	c1ccc2ncsc2c1	C95169
PUBCHEM_523	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_523	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_523	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_523	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_523	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_523	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_523	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_523	OCn1nc(C)cc1C	C85264331
PUBCHEM_523	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_523	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_523	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_523	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_523	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_523	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_523	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_523	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_523	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_523	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_523	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_523	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_523	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_523	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_523	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_523	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_523	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_523	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_523	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_523	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_523	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_523	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_523	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_523	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_523	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_523	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_523	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_523	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_523	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_523	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_523	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_523	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_523	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_523	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_523	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_523	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_523	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_523	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_523	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_523	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_523	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_523	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_523	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_523	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_523	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_523	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_523	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_523	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_523	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_523	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_523	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_523	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_523	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_523	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_523	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_523	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_523	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_523	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_523	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_523	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_523	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_523	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_523	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_523	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_523	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_523	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_523	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_523	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_523	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_523	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_523	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_523	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_523	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_523	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_523	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_523	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_523	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_523	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_523	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_523	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_523	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_523	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_523	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_523	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_523	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_523	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_523	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_523	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_523	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_523	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_523	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_523	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_523	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_523	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_523	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_523	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_523	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_523	Oc1cccc2cccnc12	C148243
PUBCHEM_523	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_523	O=C(c1ccncc1)NN	C54853
PUBCHEM_523	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_523	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_523	Cc1cc2cccnc2cc1	C91623
PUBCHEM_523	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_523	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_523	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_523	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_523	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_523	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_523	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_523	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_523	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_523	n1cccc2c1cccc2	C91225
PUBCHEM_523	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_523	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_523	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_523	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_523	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_523	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_523	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_523	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_523	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_523	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_523	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_523	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_523	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_523	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_523	N#Cc1cnccc1	C100549
PUBCHEM_523	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_523	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_523	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_523	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_523	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_523	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_523	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_523	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_523	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_523	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_523	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_523	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_523	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_523	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_523	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_523	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_523	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_523	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_523	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_523	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_523	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_523	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_523	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_523	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_523	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_523	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_523	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_523	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_523	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_523	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_523	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_523	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_523	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_523	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_523	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_523	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_523	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_523	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_523	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_523	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_523	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_523	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_523	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_523	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_523	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_523	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_523	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_523	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_523	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_523	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_523	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_523	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_523	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_523	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_523	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_523	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_523	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_523	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_523	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_523	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_523	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_523	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_523	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_523	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_523	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_523	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_523	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_523	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_523	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_523	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_523	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_523	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_523	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_523	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_523	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_523	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_523	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_523	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_523	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_523	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_523	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_523	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_523	n1cc(C)ccc1	C108996
PUBCHEM_523	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_523	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_523	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_523	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_523	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_523	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_523	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_523	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_523	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_523	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_523	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_523	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_523	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_523	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_523	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_523	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_523	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_523	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_523	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_523	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_523	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_523	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_523	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_523	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_523	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_523	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_523	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_523	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_523	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_523	Nc1cccc(C)n1	C1824813
PUBCHEM_523	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_523	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_523	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_524	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_524	Nc1ccccc1.Cl	C142041
PUBCHEM_524	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_524	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_524	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_524	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_524	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_524	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_524	CC(=O)OCc1ccccc1	C140114
PUBCHEM_524	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_524	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_524	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_524	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_524	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_524	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_524	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_524	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_524	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_524	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_524	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_524	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_524	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_524	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_524	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_524	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_524	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_524	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_524	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_524	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_524	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_524	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_524	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_524	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_524	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_524	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_524	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_524	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_524	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_524	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_524	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_524	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_524	c1cccc2[nH]ccc12	C120729
PUBCHEM_524	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_524	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_524	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_524	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_524	COc1ccc(cc1)O	C150765
PUBCHEM_524	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_524	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_524	C=Cc1ccc(cc1)C	C622979
PUBCHEM_524	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_524	NC(=O)c1cccnc1	C98920
PUBCHEM_524	OC(=O)c1cccnc1	C59676
PUBCHEM_524	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_524	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_524	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_524	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_524	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_524	Nc1ccc(cc1)N	C106503
PUBCHEM_524	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_524	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_524	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_524	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_524	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_524	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_524	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_524	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_524	Nc1ccccc1C.Cl	C636215
PUBCHEM_524	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_524	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_524	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_524	O=CCc1ccccc1	C122781
PUBCHEM_524	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_524	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_524	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_524	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_524	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_524	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_524	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_524	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_524	O=Cc1ccccc1O	C90028
PUBCHEM_524	Oc1cccc2ccccc12	C90153
PUBCHEM_524	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_524	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_524	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_524	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_524	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_524	Oc1ccc(Cl)cc1	C106489
PUBCHEM_524	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_524	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_524	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_524	Oc1ccc(CC)cc1	C123079
PUBCHEM_524	COc1ccc(OC)cc1	C150787
PUBCHEM_524	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_524	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_524	Oc1ccc(CCC)cc1	C645567
PUBCHEM_524	CC/C=C\CCO	C928961
PUBCHEM_524	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_524	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_524	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_524	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_524	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_524	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_524	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_524	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_524	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_524	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_524	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_524	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_524	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_524	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_524	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_524	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_524	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_524	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_524	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_524	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_524	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_524	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_524	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_524	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_524	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_524	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_524	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_524	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_524	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_524	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_524	c1(c(CC)cccc1)O	C90006
PUBCHEM_524	c1c(O)cccc1CC	C620177
PUBCHEM_524	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_524	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_524	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_524	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_524	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_524	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_524	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_524	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_524	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_524	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_524	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_524	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_524	c1cccc(OC)c1O	C90051
PUBCHEM_524	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_524	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_524	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_524	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_524	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_524	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_524	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_524	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_524	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_524	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_524	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_524	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_524	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_524	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_524	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_524	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_524	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_524	Cc1cc(O)ccc1	C108394
PUBCHEM_524	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_524	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_524	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_524	c1ccc2ncsc2c1	C95169
PUBCHEM_524	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_524	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_524	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_524	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_524	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_524	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_524	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_524	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_524	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_524	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_524	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_524	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_524	Cc1c(C)cccc1O	C526750
PUBCHEM_524	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_524	C=Cc1ccccc1C=C	C1321740
PUBCHEM_524	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_524	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_524	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_524	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_524	CCC(=CCCC)C=O	C645625
PUBCHEM_524	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_524	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_524	c1c(CO)occ1	C98000
PUBCHEM_524	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_524	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_524	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_524	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_524	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_524	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_524	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_524	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_524	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_524	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_524	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_524	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_524	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_524	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_524	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_524	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_524	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_524	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_524	c12ccccc1CCCC2	C119642
PUBCHEM_524	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_524	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_524	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_524	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_524	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_524	Cc1cccc(C)c1	C108383
PUBCHEM_524	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_524	OCCc1ccccc1	C60128
PUBCHEM_524	O=C(O)c1ccccc1O	C69727
PUBCHEM_524	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_524	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_524	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_524	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_524	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_524	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_524	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_524	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_524	Sc1ccccc1	C108985
PUBCHEM_524	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_524	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_524	Oc1ccc2ccccc2c1	C135193
PUBCHEM_524	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_524	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_524	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_524	Brc1ccc(F)cc1	C460004
PUBCHEM_524	C1=CC=CC1	C542927
PUBCHEM_524	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_524	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_524	ClP(c1ccccc1)Cl	C644973
PUBCHEM_524	OC(C)COc1ccccc1	C770354
PUBCHEM_524	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_524	Nc1cccc(C)c1C	C1300738
PUBCHEM_524	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_524	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_524	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_524	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_524	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_524	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_524	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_524	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_524	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_524	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_524	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_524	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_524	Nc1c(C)cccc1CC	C24549062
PUBCHEM_524	Clc1cccc(C)c1	C25168052
PUBCHEM_524	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_524	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_524	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_524	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_524	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_524	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_524	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_524	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_524	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_524	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_524	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_524	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_524	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_524	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_524	O=C(C=C(C)C)C	C141797
PUBCHEM_524	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_524	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_524	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_524	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_524	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_524	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_524	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_524	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_524	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_524	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_524	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_524	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_524	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_524	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_524	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_524	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_524	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_524	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_524	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_524	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_524	OCn1nc(C)cc1C	C85264331
PUBCHEM_524	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_524	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_524	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_524	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_524	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_524	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_524	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_524	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_524	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_524	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_524	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_524	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_524	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_524	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_524	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_524	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_524	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_524	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_524	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_524	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_524	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_524	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_524	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_524	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_524	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_524	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_524	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_524	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_524	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_524	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_524	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_524	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_524	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_524	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_524	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_524	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_524	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_524	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_524	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_524	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_524	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_524	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_524	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_524	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_524	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_524	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_524	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_524	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_524	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_524	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_524	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_524	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_524	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_524	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_524	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_524	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_524	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_524	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_524	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_524	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_524	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_524	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_524	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_524	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_524	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_524	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_524	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_524	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_524	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_524	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_524	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_524	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_524	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_524	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_524	O=C(c1ccccc1O)C	C118934
PUBCHEM_524	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_524	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_524	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_524	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_524	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_524	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_524	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_524	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_524	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_524	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_524	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_524	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_524	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_524	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_524	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_524	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_524	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_524	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_524	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_524	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_524	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_524	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_524	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_524	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_524	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_524	Oc1ccccc1CN(C)C	C120650
PUBCHEM_524	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_524	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_524	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_524	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_524	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_524	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_524	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_524	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_524	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_524	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_524	O=C/C=C/CCC	C6728263
PUBCHEM_524	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_524	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_524	OCC=Cc1ccccc1	C104541
PUBCHEM_524	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_524	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_524	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_524	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_524	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_524	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_524	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_524	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_524	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_524	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_524	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_524	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_524	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_524	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_524	N#Cc1c(O)cccc1	C611201
PUBCHEM_524	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_524	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_524	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_524	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_524	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_524	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_524	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_524	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_524	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_524	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_524	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_524	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_524	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_524	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_524	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_524	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_524	c12ccccc1CC=C2	C95136
PUBCHEM_524	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_524	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_524	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_524	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_524	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_524	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_524	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_524	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_524	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_524	Oc1c(OCC)cccc1	C94713
PUBCHEM_524	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_524	COc1ccc(CCC)cc1	C104450
PUBCHEM_524	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_524	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_524	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_524	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_524	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_524	OC(CO)c1ccccc1	C93561
PUBCHEM_524	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_524	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_524	O=C(N)Nc1ccccc1	C64108
PUBCHEM_524	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_524	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_524	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_524	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_524	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_524	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_524	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_524	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_524	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_524	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_524	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_524	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_524	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_524	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_524	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_524	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_524	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_524	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_524	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_524	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_524	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_524	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_524	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_524	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_524	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_524	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_524	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_524	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_524	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_524	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_524	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_524	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_524	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_524	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_524	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_524	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_524	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_524	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_524	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_524	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_524	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_524	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_524	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_524	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_524	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_524	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_524	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_524	Sc1ccc(C)cc1	C106456
PUBCHEM_524	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_524	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_524	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_524	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_524	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_524	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_524	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_524	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_524	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_524	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_524	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_524	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_524	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_524	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_524	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_524	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_524	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_524	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_524	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_524	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_524	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_524	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_524	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_524	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_524	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_524	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_524	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_524	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_524	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_524	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_524	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_524	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_524	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_524	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_524	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_524	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_524	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_524	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_524	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_524	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_524	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_524	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_524	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_524	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_524	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_524	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_524	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_524	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_524	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_524	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_524	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_524	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_524	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_524	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_524	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_524	c1ccccc1OCCO	C122996
PUBCHEM_524	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_524	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_524	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_524	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_524	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_524	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_524	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_524	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_524	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_524	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_524	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_524	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_524	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_524	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_524	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_524	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_524	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_524	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_524	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_524	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_524	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_524	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_524	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_524	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_524	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_524	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_524	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_524	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_524	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_524	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_524	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_524	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_524	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_524	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_524	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_524	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_524	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_524	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_524	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_524	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_524	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_524	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_524	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_524	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_524	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_524	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_524	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_524	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_524	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_524	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_524	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_524	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_524	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_524	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_524	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_524	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_524	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_524	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_524	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_524	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_524	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_524	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_524	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_524	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_524	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_524	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_524	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_524	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_524	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_524	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_524	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_524	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_524	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_524	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_524	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_524	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_524	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_524	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_524	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_524	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_524	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_524	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_524	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_524	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_524	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_524	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_524	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_524	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_524	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_524	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_524	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_524	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_524	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_524	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_524	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_524	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_524	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_524	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_524	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_524	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_524	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_524	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_524	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_524	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_524	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_524	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_524	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_524	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_524	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_524	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_524	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_524	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_524	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_524	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_524	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_524	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_524	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_524	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_524	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_524	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_524	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_524	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_524	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_524	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_524	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_524	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_524	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_524	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_524	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_524	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_524	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_524	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_524	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_524	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_524	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_524	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_524	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_524	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_524	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_524	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_524	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_524	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_524	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_524	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_524	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_524	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_524	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_524	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_524	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_524	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_524	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_524	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_524	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_524	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_524	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_524	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_524	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_524	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_524	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_524	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_524	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_524	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_524	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_524	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_524	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_524	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_524	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_524	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_524	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_524	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_524	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_524	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_524	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_524	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_524	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_524	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_524	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_524	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_524	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_524	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_524	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_524	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_524	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_524	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_524	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_524	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_524	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_524	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_524	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_524	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_524	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_524	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_524	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_524	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_524	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_524	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_524	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_524	c1coc2c1cccc2	C271896
PUBCHEM_524	OC(=O)c1ccccc1	C65850
PUBCHEM_524	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_524	OCc1ccccc1	C100516
PUBCHEM_524	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_524	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_524	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_524	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_524	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_524	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_524	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_524	Oc1c(cccc1)O	C120809
PUBCHEM_524	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_524	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_524	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_524	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_524	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_524	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_524	O=C(c1ccccc1)CCl	C532274
PUBCHEM_524	Nc1ccc(cc1)Cl	C106478
PUBCHEM_524	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_524	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_524	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_524	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_524	Nc1cc(ccc1OC)C	C120718
PUBCHEM_524	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_524	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_524	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_524	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_524	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_524	Clc1c(cccc1)Cl	C95501
PUBCHEM_524	Clc1ccc(cc1)Cl	C106467
PUBCHEM_524	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_524	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_524	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_524	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_524	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_524	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_524	CN(c1ccccc1)C	C121697
PUBCHEM_524	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_524	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_524	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_524	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_524	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_524	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_524	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_524	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_524	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_524	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_524	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_524	O=Cc1ccco1	C98011
PUBCHEM_524	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_524	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_524	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_524	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_524	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_524	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_524	Oc1ccc(cc1)O	C123319
PUBCHEM_524	Oc1cccc2cccnc12	C148243
PUBCHEM_524	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_524	O=C(c1ccncc1)NN	C54853
PUBCHEM_524	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_524	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_524	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_524	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_524	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_524	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_524	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_524	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_524	Cc1cc2cccnc2cc1	C91623
PUBCHEM_524	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_524	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_524	c1c2c(ccc1)cccc2	C91203
PUBCHEM_524	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_524	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_524	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_524	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_524	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_524	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_524	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_524	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_524	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_524	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_524	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_524	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_524	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_524	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_524	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_524	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_524	Oc1ccccc1	C108952
PUBCHEM_524	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_524	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_524	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_524	Nc1cc(ccc1)N	C108452
PUBCHEM_524	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_524	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_524	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_524	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_524	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_524	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_524	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_524	Oc1cc(ccc1)O	C108463
PUBCHEM_524	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_524	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_524	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_524	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_524	OC(=O)C=CC=CC	C110441
PUBCHEM_524	C1C(c2ccccc2)O1	C96093
PUBCHEM_524	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_524	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_524	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_524	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_524	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_524	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_524	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_524	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_524	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_524	Oc1ccccc1Cl	C95578
PUBCHEM_524	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_524	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_524	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_524	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_524	n1cccc2c1cccc2	C91225
PUBCHEM_524	CCN(CC)c1ccccc1	C91667
PUBCHEM_524	Oc1c(C)cccc1	C95487
PUBCHEM_524	c1ccccc1C(=O)C	C98862
PUBCHEM_524	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_524	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_524	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_524	CCNc1cc(C)ccc1	C102272
PUBCHEM_524	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_524	Oc1ccc(C)cc1	C106445
PUBCHEM_524	Nc1ccc(C)cc1	C106490
PUBCHEM_524	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_524	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_524	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_524	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_524	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_524	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_524	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_524	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_524	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_524	Clc1cc(Cl)ccc1	C541731
PUBCHEM_524	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_524	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_524	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_524	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_524	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_524	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_524	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_524	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_524	c1(CCCC)ccccc1	C104518
PUBCHEM_524	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_524	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_524	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_524	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_524	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_524	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_524	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_524	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_524	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_524	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_524	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_524	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_524	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_524	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_524	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_524	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_524	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_524	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_524	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_524	Nc1c(OC)cccc1	C90040
PUBCHEM_524	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_524	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_524	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_524	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_524	Cc1ccccc1Cl	C95498
PUBCHEM_524	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_524	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_524	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_524	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_524	Oc1c(cccc1C)C	C576261
PUBCHEM_524	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_524	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_524	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_524	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_524	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_524	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_524	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_524	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_524	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_524	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_524	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_524	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_524	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_524	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_524	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_524	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_524	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_524	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_524	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_524	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_524	Cc1ccc(Cl)cc1	C106434
PUBCHEM_524	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_524	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_524	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_524	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_524	Nc1cc(C)ccc1N	C496720
PUBCHEM_524	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_524	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_524	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_524	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_524	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_524	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_524	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_524	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_524	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_524	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_524	N(c1ccccc1)CC	C103695
PUBCHEM_524	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_524	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_524	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_524	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_524	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_524	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_524	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_524	Nc1c(N)cccc1	C95545
PUBCHEM_524	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_524	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_524	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_524	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_524	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_524	Nc1c(cccc1)C	C95534
PUBCHEM_524	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_524	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_524	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_524	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_524	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_524	Nc1c(cccc1C)C	C87627
PUBCHEM_524	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_524	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_524	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_524	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_524	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_524	N#Cc1cnccc1	C100549
PUBCHEM_524	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_524	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_524	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_524	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_524	Nc1cccc(C)c1	C108441
PUBCHEM_524	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_524	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_524	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_524	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_524	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_524	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_524	Nc1c(CC)cccc1CC	C579668
PUBCHEM_524	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_524	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_524	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_524	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_524	Nc1cccc(C)c1N	C2687254
PUBCHEM_524	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_524	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_524	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_524	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_524	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_524	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_524	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_524	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_524	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_524	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_524	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_524	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_524	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_524	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_524	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_524	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_524	O=Cc1ccccc1C=O	C643798
PUBCHEM_524	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_524	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_524	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_524	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_524	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_524	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_524	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_524	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_524	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_524	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_524	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_524	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_524	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_524	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_524	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_524	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_524	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_524	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_524	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_524	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_524	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_524	CCCc1ccccc1	C103651
PUBCHEM_524	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_524	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_524	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_524	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_524	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_524	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_524	CC(C)(C)c1ccccc1	C98066
PUBCHEM_524	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_524	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_524	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_524	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_524	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_524	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_524	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_524	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_524	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_524	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_524	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_524	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_524	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_524	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_524	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_524	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_524	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_524	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_524	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_524	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_524	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_524	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_524	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_524	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_524	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_524	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_524	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_524	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_524	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_524	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_524	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_524	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_524	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_524	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_524	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_524	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_524	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_524	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_524	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_524	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_524	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_524	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_524	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_524	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_524	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_524	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_524	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_524	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_524	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_524	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_524	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_524	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_524	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_524	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_524	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_524	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_524	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_524	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_524	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_524	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_524	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_524	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_524	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_524	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_524	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_524	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_524	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_524	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_524	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_524	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_524	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_524	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_524	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_524	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_524	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_524	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_524	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_524	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_524	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_524	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_524	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_524	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_524	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_524	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_524	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_524	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_524	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_524	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_524	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_524	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_524	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_524	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_524	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_524	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_524	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_524	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_524	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_524	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_524	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_524	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_524	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_524	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_524	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_524	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_524	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_524	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_524	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_524	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_524	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_524	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_524	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_524	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_524	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_524	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_524	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_524	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_524	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_524	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_524	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_524	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_524	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_524	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_524	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_524	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_524	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_524	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_524	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_524	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_524	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_524	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_524	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_524	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_524	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_524	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_524	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_524	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_524	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_524	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_524	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_524	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_524	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_524	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_524	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_524	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_524	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_524	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_524	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_524	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_524	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_524	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_524	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_524	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_524	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_524	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_524	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_524	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_524	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_524	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_524	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_524	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_524	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_524	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_524	O=C(OCC)c1ccccc1	C93890
PUBCHEM_524	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_524	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_524	NCc1cccc(CN)c1	C1477550
PUBCHEM_524	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_524	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_524	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_524	n1cc(C)ccc1	C108996
PUBCHEM_524	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_524	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_524	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_524	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_524	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_524	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_524	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_524	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_524	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_524	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_524	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_524	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_524	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_524	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_524	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_524	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_524	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_524	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_524	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_524	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_524	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_524	NNc1ccccc1.Cl	C59881
PUBCHEM_524	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_524	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_524	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_524	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_524	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_524	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_524	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_524	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_524	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_524	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_524	N#Cc1ccccc1	C100470
PUBCHEM_524	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_524	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_524	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_524	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_524	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_524	Nc1ccc(Br)cc1	C106401
PUBCHEM_524	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_524	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_524	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_524	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_524	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_524	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_524	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_524	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_524	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_524	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_524	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_524	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_524	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_524	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_524	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_524	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_524	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_524	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_524	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_524	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_524	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_524	Nc1ccc(OC)cc1	C104949
PUBCHEM_524	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_524	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_524	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_524	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_524	O=CC=CC=CCCCCC	C25152845
PUBCHEM_524	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_524	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_524	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_524	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_524	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_524	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_524	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_524	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_524	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_524	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_524	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_524	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_524	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_524	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_524	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_524	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_524	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_524	OCC=C(C)C	C556821
PUBCHEM_524	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_524	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_524	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_524	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_524	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_524	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_524	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_524	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_524	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_524	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_524	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_524	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_524	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_524	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_524	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_524	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_524	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_524	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_524	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_524	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_524	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_524	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_524	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_524	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_524	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_524	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_524	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_524	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_524	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_524	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_524	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_524	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_524	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_524	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_524	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_524	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_524	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_524	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_524	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_524	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_524	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_524	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_524	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_524	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_524	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_524	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_524	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_524	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_524	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_524	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_524	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_524	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_524	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_524	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_524	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_524	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_524	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_524	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_524	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_524	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_524	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_524	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_524	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_524	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_524	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_524	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_524	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_524	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_524	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_524	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_524	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_524	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_524	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_524	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_524	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_524	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_524	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_524	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_524	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_524	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_524	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_524	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_524	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_524	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_524	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_524	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_524	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_524	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_524	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_524	Cl[Hg]c1ccccc1	C100561
PUBCHEM_524	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_524	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_524	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_524	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_524	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_524	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_524	O=[As]c1ccccc1	C637036
PUBCHEM_524	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_524	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_524	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_524	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_524	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_524	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_524	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_524	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_524	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_524	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_524	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_524	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_524	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_524	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_524	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_524	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_524	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_524	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_524	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_524	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_524	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_524	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_524	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_524	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_524	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_524	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_524	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_524	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_524	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_524	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_524	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_524	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_524	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_524	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_524	Nc1cccc(C)n1	C1824813
PUBCHEM_524	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_524	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_524	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_524	CC1COc2ccccc2N1	C32329207
PUBCHEM_524	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_524	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_524	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_524	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_524	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_524	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_524	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_524	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_524	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_524	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_524	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_524	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_524	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_524	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_524	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_524	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_524	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_524	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_524	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_524	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_524	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_524	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_524	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_524	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_524	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_524	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_524	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_524	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_524	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_524	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_524	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_524	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_524	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_524	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_524	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_524	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_524	CCCCCc1ccco1	C3777693
PUBCHEM_524	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_526	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_526	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_526	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_526	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_526	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_526	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_526	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_526	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_526	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_526	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_526	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_526	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_526	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_526	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_526	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_526	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_526	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_526	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_526	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_526	Clc1c(cccc1)Cl	C95501
PUBCHEM_526	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_526	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_526	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_526	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_526	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_526	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_526	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_526	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_526	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_526	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_526	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_526	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_526	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_526	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_526	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_526	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_526	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_526	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_526	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_526	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_526	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_526	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_526	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_526	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_526	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_528	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_528	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_529	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_529	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_529	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_529	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_529	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_529	ClCC(Cl)CCl	C96184
PUBCHEM_529	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_529	C=CC(Cl)CCl	C760236
PUBCHEM_529	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_529	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_529	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_529	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_529	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_529	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_529	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_529	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_529	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_529	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_529	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_529	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_529	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_529	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_529	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_529	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_529	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_529	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_529	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_529	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_529	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_529	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_529	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_529	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_529	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_529	Clc1c(cccc1)Cl	C95501
PUBCHEM_529	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_529	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_529	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_529	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_529	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_529	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_529	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_529	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_529	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_529	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_529	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_529	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_529	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_529	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_529	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_529	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_529	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_529	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_529	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_529	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_529	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_529	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_529	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_529	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_529	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_529	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_529	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_529	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_529	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_529	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_529	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_529	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_529	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_529	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_530	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_530	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_530	c1cccc2[nH]ccc12	C120729
PUBCHEM_530	NC(=O)c1cccnc1	C98920
PUBCHEM_530	OC(=O)c1cccnc1	C59676
PUBCHEM_530	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_530	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_530	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_530	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_530	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_530	c1ccc2ncsc2c1	C95169
PUBCHEM_530	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_530	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_530	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_530	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_530	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_530	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_530	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_530	OCn1nc(C)cc1C	C85264331
PUBCHEM_530	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_530	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_530	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_530	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_530	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_530	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_530	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_530	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_530	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_530	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_530	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_530	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_530	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_530	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_530	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_530	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_530	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_530	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_530	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_530	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_530	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_530	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_530	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_530	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_530	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_530	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_530	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_530	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_530	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_530	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_530	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_530	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_530	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_530	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_530	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_530	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_530	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_530	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_530	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_530	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_530	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_530	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_530	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_530	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_530	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_530	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_530	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_530	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_530	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_530	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_530	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_530	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_530	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_530	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_530	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_530	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_530	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_530	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_530	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_530	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_530	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_530	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_530	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_530	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_530	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_530	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_530	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_530	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_530	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_530	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_530	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_530	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_530	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_530	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_530	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_530	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_530	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_530	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_530	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_530	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_530	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_530	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_530	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_530	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_530	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_530	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_530	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_530	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_530	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_530	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_530	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_530	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_530	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_530	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_530	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_530	Oc1cccc2cccnc12	C148243
PUBCHEM_530	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_530	O=C(c1ccncc1)NN	C54853
PUBCHEM_530	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_530	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_530	Cc1cc2cccnc2cc1	C91623
PUBCHEM_530	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_530	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_530	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_530	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_530	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_530	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_530	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_530	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_530	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_530	n1cccc2c1cccc2	C91225
PUBCHEM_530	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_530	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_530	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_530	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_530	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_530	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_530	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_530	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_530	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_530	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_530	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_530	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_530	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_530	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_530	N#Cc1cnccc1	C100549
PUBCHEM_530	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_530	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_530	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_530	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_530	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_530	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_530	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_530	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_530	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_530	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_530	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_530	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_530	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_530	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_530	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_530	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_530	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_530	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_530	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_530	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_530	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_530	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_530	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_530	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_530	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_530	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_530	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_530	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_530	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_530	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_530	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_530	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_530	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_530	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_530	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_530	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_530	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_530	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_530	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_530	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_530	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_530	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_530	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_530	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_530	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_530	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_530	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_530	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_530	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_530	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_530	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_530	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_530	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_530	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_530	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_530	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_530	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_530	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_530	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_530	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_530	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_530	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_530	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_530	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_530	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_530	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_530	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_530	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_530	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_530	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_530	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_530	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_530	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_530	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_530	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_530	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_530	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_530	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_530	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_530	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_530	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_530	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_530	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_530	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_530	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_530	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_530	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_530	n1cc(C)ccc1	C108996
PUBCHEM_530	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_530	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_530	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_530	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_530	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_530	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_530	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_530	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_530	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_530	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_530	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_530	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_530	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_530	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_530	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_530	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_530	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_530	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_530	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_530	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_530	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_530	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_530	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_530	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_530	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_530	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_530	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_530	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_530	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_530	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_530	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_530	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_530	Nc1cccc(C)n1	C1824813
PUBCHEM_530	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_530	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_530	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_531	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_531	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_531	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_531	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_531	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_531	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_531	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_531	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_531	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_531	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_531	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_531	c1ccc2ncsc2c1	C95169
PUBCHEM_531	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_531	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_531	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_531	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_531	Sc1ccccc1	C108985
PUBCHEM_531	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_531	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_531	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_531	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_531	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_531	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_531	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_531	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_531	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_531	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_531	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_531	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_531	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_531	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_531	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_531	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_531	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_531	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_531	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_531	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_531	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_531	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_531	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_531	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_531	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_531	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_531	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_531	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_531	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_531	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_531	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_531	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_531	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_531	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_531	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_531	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_531	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_531	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_531	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_531	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_531	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_531	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_531	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_531	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_531	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_531	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_531	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_531	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_531	Sc1ccc(C)cc1	C106456
PUBCHEM_531	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_531	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_531	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_531	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_531	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_531	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_531	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_531	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_531	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_531	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_531	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_531	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_531	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_531	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_531	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_531	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_531	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_531	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_531	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_531	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_531	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_531	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_531	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_531	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_531	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_531	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_531	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_531	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_531	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_531	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_531	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_531	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_531	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_531	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_531	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_531	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_531	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_531	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_531	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_531	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_531	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_531	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_531	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_531	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_531	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_531	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_531	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_531	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_531	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_531	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_531	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_531	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_531	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_531	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_531	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_531	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_531	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_531	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_531	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_531	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_531	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_531	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_531	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_531	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_531	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_531	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_531	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_531	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_531	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_531	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_531	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_531	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_531	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_531	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_531	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_531	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_531	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_531	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_531	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_531	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_531	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_531	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_531	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_531	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_531	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_531	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_531	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_531	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_531	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_531	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_531	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_531	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_531	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_531	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_531	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_531	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_531	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_531	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_531	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_531	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_531	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_531	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_531	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_531	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_531	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_531	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_531	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_531	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_531	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_531	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_531	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_531	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_531	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_531	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_531	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_531	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_531	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_531	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_531	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_531	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_531	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_531	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_533	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_533	c1ccc2ncsc2c1	C95169
PUBCHEM_533	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_533	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_533	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_533	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_533	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_533	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_533	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_533	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_533	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_533	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_533	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_533	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_533	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_533	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_533	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_533	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_533	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_533	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_533	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_533	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_533	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_533	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_533	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_533	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_533	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_533	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_533	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_533	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_533	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_533	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_533	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_533	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_533	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_533	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_533	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_533	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_534	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_534	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_534	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_534	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_534	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_534	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_534	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_534	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_534	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_535	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_535	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_535	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_535	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_535	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_535	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_535	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_535	O=C1CCCCC1	C108941
PUBCHEM_535	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_535	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_535	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_535	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_535	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_535	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_535	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_535	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_535	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_535	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_535	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_535	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_535	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_535	NC(=O)c1cccnc1	C98920
PUBCHEM_535	OC(=O)c1cccnc1	C59676
PUBCHEM_535	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_535	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_535	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_535	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_535	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_535	O=CCc1ccccc1	C122781
PUBCHEM_535	CCCCCCCCCC=O	C112312
PUBCHEM_535	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_535	O=CCCCCCC	C111717
PUBCHEM_535	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_535	CCCCCCCCC=O	C124196
PUBCHEM_535	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_535	OC(=O)CCCC	C109524
PUBCHEM_535	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_535	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_535	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_535	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_535	O=Cc1ccccc1O	C90028
PUBCHEM_535	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_535	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_535	CCCC(=O)C	C107879
PUBCHEM_535	CCCCCC(=O)C	C110430
PUBCHEM_535	CCCCCCCCCC(=O)C	C112129
PUBCHEM_535	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_535	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_535	CCCCCC(=O)OCC	C123660
PUBCHEM_535	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_535	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_535	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_535	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_535	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_535	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_535	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_535	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_535	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_535	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_535	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_535	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_535	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_535	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_535	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_535	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_535	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_535	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_535	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_535	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_535	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_535	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_535	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_535	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_535	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_535	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_535	C(=O)(O)C(C)O	C50215
PUBCHEM_535	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_535	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_535	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_535	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_535	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_535	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_535	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_535	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_535	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_535	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_535	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_535	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_535	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_535	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_535	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_535	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_535	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_535	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_535	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_535	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_535	C(CC)(C=O)CCCC	C123057
PUBCHEM_535	CCC(=CCCC)C=O	C645625
PUBCHEM_535	c1c(CO)occ1	C98000
PUBCHEM_535	O=CCCCC=O	C111308
PUBCHEM_535	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_535	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_535	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_535	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_535	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_535	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_535	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_535	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_535	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_535	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_535	O=C(O)c1ccccc1O	C69727
PUBCHEM_535	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_535	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_535	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_535	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_535	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_535	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_535	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_535	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_535	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_535	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_535	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_535	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_535	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_535	O=C1NCCC1	C616455
PUBCHEM_535	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_535	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_535	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_535	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_535	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_535	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_535	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_535	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_535	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_535	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_535	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_535	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_535	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_535	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_535	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_535	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_535	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_535	O=C1CCCC1	C120923
PUBCHEM_535	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_535	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_535	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_535	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_535	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_535	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_535	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_535	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_535	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_535	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_535	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_535	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_535	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_535	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_535	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_535	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_535	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_535	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_535	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_535	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_535	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_535	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_535	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_535	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_535	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_535	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_535	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_535	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_535	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_535	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_535	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_535	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_535	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_535	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_535	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_535	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_535	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_535	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_535	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_535	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_535	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_535	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_535	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_535	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_535	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_535	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_535	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_535	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_535	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_535	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_535	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_535	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_535	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_535	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_535	O=C(CC)OCC	C105373
PUBCHEM_535	O=C(c1ccccc1O)C	C118934
PUBCHEM_535	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_535	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_535	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_535	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_535	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_535	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_535	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_535	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_535	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_535	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_535	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_535	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_535	O=C1CCC(O1)CC	C695067
PUBCHEM_535	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_535	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_535	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_535	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_535	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_535	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_535	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_535	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_535	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_535	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_535	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_535	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_535	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_535	O=C(CCC)OCCCCC	C540181
PUBCHEM_535	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_535	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_535	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_535	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_535	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_535	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_535	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_535	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_535	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_535	O=C(CC)CCCCC	C106683
PUBCHEM_535	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_535	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_535	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_535	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_535	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_535	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_535	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_535	OC(C)C(=O)OCCCC	C138227
PUBCHEM_535	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_535	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_535	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_535	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_535	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_535	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_535	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_535	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_535	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_535	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_535	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_535	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_535	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_535	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_535	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_535	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_535	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_535	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_535	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_535	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_535	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_535	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_535	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_535	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_535	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_535	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_535	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_535	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_535	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_535	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_535	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_535	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_535	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_535	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_535	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_535	O=C1OC(CCC)CC1	C105215
PUBCHEM_535	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_535	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_535	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_535	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_535	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_535	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_535	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_535	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_535	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_535	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_535	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_535	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_535	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_535	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_535	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_535	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_535	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_535	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_535	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_535	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_535	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_535	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_535	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_535	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_535	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_535	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_535	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_535	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_535	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_535	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_535	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_535	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_535	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_535	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_535	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_535	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_535	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_535	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_535	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_535	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_535	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_535	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_535	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_535	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_535	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_535	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_535	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_535	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_535	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_535	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_535	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_535	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_535	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_535	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_535	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_535	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_535	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_535	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_535	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_535	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_535	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_535	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_535	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_535	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_535	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_535	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_535	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_535	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_535	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_535	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_535	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_535	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_535	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_535	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_535	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_535	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_535	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_535	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_535	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_535	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_535	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_535	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_535	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_535	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_535	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_535	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_535	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_535	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_535	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_535	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_535	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_535	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_535	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_535	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_535	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_535	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_535	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_535	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_535	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_535	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_535	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_535	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_535	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_535	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_535	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_535	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_535	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_535	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_535	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_535	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_535	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_535	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_535	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_535	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_535	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_535	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_535	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_535	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_535	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_535	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_535	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_535	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_535	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_535	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_535	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_535	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_535	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_535	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_535	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_535	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_535	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_535	c1coc2c1cccc2	C271896
PUBCHEM_535	OC(=O)c1ccccc1	C65850
PUBCHEM_535	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_535	O=C1CCCO1	C96480
PUBCHEM_535	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_535	O=C1CCCCCN1	C105602
PUBCHEM_535	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_535	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_535	O=C(c1ccccc1)CCl	C532274
PUBCHEM_535	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_535	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_535	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_535	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_535	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_535	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_535	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_535	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_535	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_535	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_535	O=Cc1ccco1	C98011
PUBCHEM_535	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_535	O=C(c1ccncc1)NN	C54853
PUBCHEM_535	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_535	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_535	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_535	O=C1N(CCC1)C	C872504
PUBCHEM_535	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_535	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_535	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_535	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_535	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_535	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_535	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_535	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_535	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_535	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_535	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_535	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_535	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_535	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_535	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_535	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_535	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_535	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_535	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_535	O=C1N(C=C)CCC1	C88120
PUBCHEM_535	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_535	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_535	OC(=O)CCC	C107926
PUBCHEM_535	CCCCCCCCCC(=O)O	C334485
PUBCHEM_535	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_535	O=C(O)CCCCCC	C111148
PUBCHEM_535	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_535	CCCCCC(=O)O	C142621
PUBCHEM_535	CCCCCCCCC(=O)O	C112050
PUBCHEM_535	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_535	CCCCCCCC=O	C124130
PUBCHEM_535	CCCCCCCC(=O)O	C124072
PUBCHEM_535	CCCCC=O	C110623
PUBCHEM_535	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_535	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_535	c1ccccc1C(=O)C	C98862
PUBCHEM_535	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_535	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_535	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_535	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_535	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_535	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_535	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_535	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_535	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_535	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_535	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_535	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_535	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_535	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_535	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_535	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_535	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_535	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_535	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_535	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_535	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_535	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_535	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_535	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_535	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_535	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_535	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_535	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_535	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_535	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_535	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_535	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_535	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_535	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_535	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_535	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_535	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_535	O=C(O)C(CCCC)CC	C149575
PUBCHEM_535	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_535	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_535	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_535	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_535	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_535	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_535	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_535	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_535	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_535	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_535	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_535	O=C(OC)CCCCCCC	C111115
PUBCHEM_535	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_535	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_535	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_535	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_535	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_535	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_535	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_535	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_535	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_535	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_535	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_535	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_535	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_535	O=C(OC)CC(=O)OC	C108598
PUBCHEM_535	O=C(N)C(=C)C	C79390
PUBCHEM_535	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_535	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_535	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_535	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_535	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_535	O=Cc1ccccc1C=O	C643798
PUBCHEM_535	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_535	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_535	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_535	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_535	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_535	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_535	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_535	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_535	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_535	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_535	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_535	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_535	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_535	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_535	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_535	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_535	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_535	O=C(CCC)OCC	C105544
PUBCHEM_535	O=C(OCC)CCCCCC	C106309
PUBCHEM_535	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_535	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_535	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_535	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_535	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_535	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_535	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_535	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_535	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_535	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_535	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_535	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_535	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_535	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_535	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_535	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_535	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_535	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_535	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_535	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_535	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_535	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_535	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_535	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_535	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_535	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_535	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_535	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_535	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_535	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_535	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_535	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_535	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_535	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_535	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_535	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_535	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_535	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_535	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_535	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_535	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_535	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_535	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_535	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_535	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_535	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_535	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_535	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_535	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_535	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_535	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_535	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_535	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_535	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_535	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_535	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_535	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_535	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_535	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_535	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_535	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_535	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_535	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_535	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_535	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_535	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_535	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_535	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_535	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_535	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_535	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_535	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_535	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_535	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_535	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_535	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_535	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_535	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_535	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_535	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_535	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_535	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_535	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_535	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_535	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_535	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_535	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_535	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_535	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_535	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_535	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_535	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_535	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_535	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_535	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_535	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_535	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_535	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_535	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_535	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_535	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_535	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_535	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_535	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_535	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_535	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_535	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_535	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_535	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_535	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_535	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_535	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_535	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_535	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_535	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_535	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_535	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_535	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_535	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_535	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_535	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_535	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_535	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_535	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_535	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_535	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_535	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_535	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_535	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_535	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_535	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_535	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_535	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_535	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_535	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_535	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_535	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_535	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_535	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_535	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_535	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_535	O=C(OCC)c1ccccc1	C93890
PUBCHEM_535	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_535	O=CCCSC	C3268493
PUBCHEM_535	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_535	CC(=O)CCC(C)C	C110123
PUBCHEM_535	CC(=O)CC(C)C	C108101
PUBCHEM_535	CC(C)C=O	C78842
PUBCHEM_535	CCCCCC=O	C66251
PUBCHEM_535	CCCC=O	C123728
PUBCHEM_535	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_535	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_535	CC1CC(=O)O1	C3068880
PUBCHEM_535	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_535	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_535	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_535	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_535	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_535	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_535	CC(=O)C(=O)O	C127173
PUBCHEM_535	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_535	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_535	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_535	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_535	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_535	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_535	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_535	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_535	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_535	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_535	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_535	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_535	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_535	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_535	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_535	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_535	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_535	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_535	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_535	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_535	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_535	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_535	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_535	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_535	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_535	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_535	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_535	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_535	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_535	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_535	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_535	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_535	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_535	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_535	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_535	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_535	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_535	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_535	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_535	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_535	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_535	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_535	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_535	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_535	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_535	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_535	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_535	O=CCCCCCCCCC=C	C112458
PUBCHEM_535	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_535	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_535	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_535	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_535	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_535	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_535	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_535	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_535	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_535	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_535	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_535	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_535	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_535	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_535	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_535	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_535	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_535	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_535	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_535	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_535	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_535	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_535	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_535	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_535	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_535	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_535	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_535	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_535	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_535	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_535	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_535	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_535	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_535	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_535	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_535	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_535	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_535	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_535	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_535	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_535	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_535	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_535	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_535	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_535	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_535	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_535	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_535	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_535	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_535	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_535	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_535	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_535	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_535	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_535	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_535	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_535	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_535	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_535	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_535	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_535	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_535	CCCCCc1ccco1	C3777693
PUBCHEM_535	CCC(=O)C(=O)CC	C4437518
PUBCHEM_535	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_536	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_536	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_536	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_536	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_536	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_536	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_536	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_536	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_536	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_536	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_536	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_536	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_536	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_536	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_536	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_536	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_536	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_536	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_536	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_536	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_536	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_536	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_536	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_536	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_536	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_536	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_536	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_536	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_536	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_536	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_536	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_536	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_536	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_536	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_536	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_536	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_536	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_536	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_536	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_536	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_536	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_536	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_536	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_536	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_536	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_536	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_536	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_536	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_536	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_536	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_536	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_536	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_536	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_536	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_536	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_536	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_536	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_536	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_536	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_536	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_536	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_536	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_536	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_536	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_536	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_536	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_536	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_536	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_536	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_536	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_536	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_536	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_536	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_536	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_536	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_536	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_536	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_536	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_536	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_536	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_536	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_536	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_536	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_536	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_536	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_536	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_536	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_536	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_536	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_536	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_536	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_536	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_536	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_536	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_536	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_536	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_536	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_536	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_536	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_536	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_536	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_536	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_536	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_536	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_536	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_536	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_536	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_536	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_536	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_536	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_536	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_536	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_536	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_536	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_536	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_536	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_536	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_536	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_537	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_537	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_537	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_537	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_537	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_537	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_537	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_537	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_537	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_537	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_537	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_537	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_537	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_537	C(=O)(O)C(C)O	C50215
PUBCHEM_537	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_537	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_537	c1c(CO)occ1	C98000
PUBCHEM_537	C(=O)(O)CO	C79141
PUBCHEM_537	C(=O)(O)C(=O)O	C144627
PUBCHEM_537	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_537	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_537	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_537	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_537	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_537	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_537	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_537	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_537	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_537	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_537	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_537	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_537	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_537	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_537	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_537	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_537	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_537	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_537	OC(C)C(=O)OCCCC	C138227
PUBCHEM_537	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_537	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_537	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_537	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_537	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_537	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_537	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_537	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_537	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_537	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_537	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_537	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_537	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_537	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_537	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_537	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_537	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_537	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_537	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_537	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_537	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_537	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_537	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_537	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_537	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_537	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_537	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_537	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_537	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_537	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_537	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_537	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_537	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_537	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_537	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_537	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_537	O=Cc1ccco1	C98011
PUBCHEM_537	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_537	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_537	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_537	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_537	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_537	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_537	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_537	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_537	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_537	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_537	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_537	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_537	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_537	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_537	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_537	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_537	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_537	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_537	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_537	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_537	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_537	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_537	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_537	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_537	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_537	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_537	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_537	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_537	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_537	CC(=O)C(=O)O	C127173
PUBCHEM_537	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_537	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_537	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_537	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_537	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_537	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_537	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_537	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_537	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_537	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_537	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_537	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_538	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_538	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_538	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_538	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_538	c1cccc2[nH]ccc12	C120729
PUBCHEM_538	NC(=O)c1cccnc1	C98920
PUBCHEM_538	OC(=O)c1cccnc1	C59676
PUBCHEM_538	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_538	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_538	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_538	ON=C1CCCCC1	C100641
PUBCHEM_538	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_538	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_538	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_538	CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C	C1646884
PUBCHEM_538	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_538	c1ccc2ncsc2c1	C95169
PUBCHEM_538	ON=CCCC	C110690
PUBCHEM_538	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_538	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_538	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_538	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_538	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_538	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_538	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_538	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_538	OCn1nc(C)cc1C	C85264331
PUBCHEM_538	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_538	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_538	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_538	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_538	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_538	O=C(NC)O/N=C/C(C)(C)S(=O)C	C1646873
PUBCHEM_538	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_538	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_538	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_538	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_538	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_538	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_538	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_538	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_538	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_538	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_538	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_538	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_538	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_538	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_538	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_538	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_538	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_538	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_538	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_538	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_538	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_538	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_538	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_538	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_538	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_538	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_538	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_538	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_538	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_538	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_538	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_538	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_538	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_538	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_538	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_538	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_538	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_538	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_538	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_538	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_538	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_538	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_538	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_538	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_538	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_538	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_538	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_538	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_538	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_538	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_538	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_538	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_538	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_538	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_538	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_538	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_538	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_538	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_538	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_538	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_538	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_538	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_538	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_538	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_538	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_538	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_538	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_538	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_538	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_538	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_538	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_538	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_538	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_538	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_538	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_538	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_538	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_538	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_538	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_538	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_538	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_538	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_538	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_538	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_538	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_538	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_538	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_538	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_538	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_538	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_538	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_538	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_538	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_538	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_538	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_538	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_538	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_538	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_538	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_538	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_538	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_538	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_538	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_538	CC(C=NOC(=O)NC)(SC)C	C116063
PUBCHEM_538	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_538	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_538	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_538	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_538	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_538	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_538	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_538	Oc1cccc2cccnc12	C148243
PUBCHEM_538	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_538	O=C(c1ccncc1)NN	C54853
PUBCHEM_538	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_538	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_538	Cc1cc2cccnc2cc1	C91623
PUBCHEM_538	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_538	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_538	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_538	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_538	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_538	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_538	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_538	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_538	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_538	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_538	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_538	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_538	n1cccc2c1cccc2	C91225
PUBCHEM_538	CCC(=NO)C	C96297
PUBCHEM_538	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_538	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_538	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_538	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_538	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_538	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_538	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_538	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_538	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_538	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_538	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_538	ON=CC(C)(C)SC	C1646759
PUBCHEM_538	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_538	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_538	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_538	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_538	N#Cc1cnccc1	C100549
PUBCHEM_538	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_538	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_538	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_538	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_538	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_538	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_538	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_538	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_538	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_538	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_538	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_538	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_538	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_538	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_538	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_538	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_538	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_538	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_538	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_538	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_538	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_538	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_538	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_538	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_538	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_538	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_538	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_538	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_538	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_538	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_538	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_538	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_538	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_538	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_538	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_538	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_538	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_538	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_538	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_538	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_538	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_538	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_538	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_538	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_538	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_538	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_538	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_538	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_538	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_538	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_538	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_538	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_538	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_538	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_538	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_538	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_538	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_538	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_538	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_538	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_538	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_538	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_538	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_538	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_538	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_538	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_538	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_538	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_538	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_538	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_538	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_538	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_538	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_538	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_538	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_538	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_538	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_538	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_538	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_538	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_538	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_538	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_538	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_538	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_538	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_538	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_538	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_538	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_538	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_538	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_538	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_538	n1cc(C)ccc1	C108996
PUBCHEM_538	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_538	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_538	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_538	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_538	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_538	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_538	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_538	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_538	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_538	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_538	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_538	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_538	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_538	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_538	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_538	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_538	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_538	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_538	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_538	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_538	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_538	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_538	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_538	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_538	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_538	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_538	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_538	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_538	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_538	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_538	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_538	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_538	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_538	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_538	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_538	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_538	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_538	Nc1cccc(C)n1	C1824813
PUBCHEM_538	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_538	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_538	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_539	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_539	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_539	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_540	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_540	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_540	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_540	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_540	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_540	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_540	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_540	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_540	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_540	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_540	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_540	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_540	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_540	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_540	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_540	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_540	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_540	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_540	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_540	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_540	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_540	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_540	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_540	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_540	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_540	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_540	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_540	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_540	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_540	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_540	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_540	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_540	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_540	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_540	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_540	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_540	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_540	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_540	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_540	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_540	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_540	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_540	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_540	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_540	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_540	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_540	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_540	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_540	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_540	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_540	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_540	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_540	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_540	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_540	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_540	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_540	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_540	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_540	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_540	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_540	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_540	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_540	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_540	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_540	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_540	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_540	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_540	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_540	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_540	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_541	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_541	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_541	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_541	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_541	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_541	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_541	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_541	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_541	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_541	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_541	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_541	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_541	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_541	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_541	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_541	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_541	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_541	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_541	COc1ccc(cc1)O	C150765
PUBCHEM_541	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_541	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_541	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_541	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_541	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_541	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_541	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_541	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_541	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_541	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_541	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_541	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_541	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_541	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_541	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_541	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_541	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_541	O=Cc1ccccc1O	C90028
PUBCHEM_541	Oc1cccc2ccccc12	C90153
PUBCHEM_541	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_541	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_541	Oc1ccc(Cl)cc1	C106489
PUBCHEM_541	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_541	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_541	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_541	Oc1ccc(CC)cc1	C123079
PUBCHEM_541	COc1ccc(OC)cc1	C150787
PUBCHEM_541	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_541	Oc1ccc(CCC)cc1	C645567
PUBCHEM_541	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_541	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_541	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_541	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_541	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_541	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_541	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_541	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_541	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_541	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_541	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_541	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_541	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_541	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_541	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_541	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_541	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_541	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_541	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_541	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_541	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_541	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_541	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_541	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_541	c1(c(CC)cccc1)O	C90006
PUBCHEM_541	c1c(O)cccc1CC	C620177
PUBCHEM_541	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_541	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_541	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_541	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_541	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_541	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_541	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_541	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_541	c1cccc(OC)c1O	C90051
PUBCHEM_541	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_541	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_541	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_541	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_541	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_541	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_541	Cc1cc(O)ccc1	C108394
PUBCHEM_541	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_541	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_541	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_541	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_541	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_541	Cc1c(C)cccc1O	C526750
PUBCHEM_541	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_541	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_541	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_541	c1c(CO)occ1	C98000
PUBCHEM_541	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_541	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_541	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_541	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_541	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_541	O=C(O)c1ccccc1O	C69727
PUBCHEM_541	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_541	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_541	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_541	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_541	Oc1ccc2ccccc2c1	C135193
PUBCHEM_541	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_541	OC(C)COc1ccccc1	C770354
PUBCHEM_541	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_541	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_541	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_541	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_541	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_541	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_541	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_541	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_541	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_541	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_541	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_541	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_541	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_541	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_541	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_541	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_541	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_541	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_541	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_541	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_541	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_541	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_541	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_541	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_541	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_541	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_541	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_541	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_541	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_541	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_541	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_541	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_541	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_541	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_541	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_541	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_541	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_541	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_541	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_541	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_541	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_541	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_541	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_541	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_541	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_541	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_541	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_541	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_541	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_541	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_541	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_541	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_541	O=C(c1ccccc1O)C	C118934
PUBCHEM_541	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_541	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_541	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_541	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_541	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_541	Oc1ccccc1CN(C)C	C120650
PUBCHEM_541	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_541	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_541	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_541	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_541	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_541	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_541	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_541	N#Cc1c(O)cccc1	C611201
PUBCHEM_541	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_541	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_541	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_541	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_541	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_541	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_541	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_541	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_541	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_541	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_541	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_541	Oc1c(OCC)cccc1	C94713
PUBCHEM_541	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_541	COc1ccc(CCC)cc1	C104450
PUBCHEM_541	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_541	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_541	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_541	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_541	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_541	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_541	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_541	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_541	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_541	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_541	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_541	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_541	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_541	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_541	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_541	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_541	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_541	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_541	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_541	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_541	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_541	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_541	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_541	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_541	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_541	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_541	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_541	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_541	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_541	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_541	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_541	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_541	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_541	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_541	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_541	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_541	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_541	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_541	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_541	c1ccccc1OCCO	C122996
PUBCHEM_541	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_541	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_541	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_541	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_541	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_541	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_541	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_541	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_541	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_541	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_541	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_541	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_541	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_541	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_541	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_541	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_541	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_541	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_541	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_541	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_541	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_541	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_541	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_541	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_541	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_541	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_541	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_541	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_541	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_541	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_541	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_541	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_541	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_541	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_541	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_541	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_541	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_541	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_541	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_541	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_541	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_541	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_541	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_541	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_541	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_541	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_541	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_541	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_541	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_541	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_541	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_541	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_541	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_541	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_541	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_541	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_541	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_541	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_541	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_541	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_541	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_541	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_541	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_541	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_541	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_541	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_541	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_541	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_541	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_541	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_541	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_541	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_541	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_541	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_541	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_541	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_541	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_541	c1coc2c1cccc2	C271896
PUBCHEM_541	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_541	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_541	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_541	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_541	Oc1c(cccc1)O	C120809
PUBCHEM_541	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_541	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_541	Nc1cc(ccc1OC)C	C120718
PUBCHEM_541	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_541	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_541	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_541	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_541	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_541	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_541	O=Cc1ccco1	C98011
PUBCHEM_541	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_541	Oc1ccc(cc1)O	C123319
PUBCHEM_541	Oc1cccc2cccnc12	C148243
PUBCHEM_541	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_541	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_541	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_541	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_541	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_541	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_541	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_541	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_541	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_541	Oc1ccccc1	C108952
PUBCHEM_541	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_541	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_541	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_541	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_541	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_541	Oc1cc(ccc1)O	C108463
PUBCHEM_541	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_541	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_541	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_541	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_541	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_541	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_541	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_541	Oc1ccccc1Cl	C95578
PUBCHEM_541	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_541	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_541	Oc1c(C)cccc1	C95487
PUBCHEM_541	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_541	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_541	Oc1ccc(C)cc1	C106445
PUBCHEM_541	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_541	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_541	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_541	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_541	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_541	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_541	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_541	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_541	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_541	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_541	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_541	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_541	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_541	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_541	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_541	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_541	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_541	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_541	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_541	Nc1c(OC)cccc1	C90040
PUBCHEM_541	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_541	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_541	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_541	Oc1c(cccc1C)C	C576261
PUBCHEM_541	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_541	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_541	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_541	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_541	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_541	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_541	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_541	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_541	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_541	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_541	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_541	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_541	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_541	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_541	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_541	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_541	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_541	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_541	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_541	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_541	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_541	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_541	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_541	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_541	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_541	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_541	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_541	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_541	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_541	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_541	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_541	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_541	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_541	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_541	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_541	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_541	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_541	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_541	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_541	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_541	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_541	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_541	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_541	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_541	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_541	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_541	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_541	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_541	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_541	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_541	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_541	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_541	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_541	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_541	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_541	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_541	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_541	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_541	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_541	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_541	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_541	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_541	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_541	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_541	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_541	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_541	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_541	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_541	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_541	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_541	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_541	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_541	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_541	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_541	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_541	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_541	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_541	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_541	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_541	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_541	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_541	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_541	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_541	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_541	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_541	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_541	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_541	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_541	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_541	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_541	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_541	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_541	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_541	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_541	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_541	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_541	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_541	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_541	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_541	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_541	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_541	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_541	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_541	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_541	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_541	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_541	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_541	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_541	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_541	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_541	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_541	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_541	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_541	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_541	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_541	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_541	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_541	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_541	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_541	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_541	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_541	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_541	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_541	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_541	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_541	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_541	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_541	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_541	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_541	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_541	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_541	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_541	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_541	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_541	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_541	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_541	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_541	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_541	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_541	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_541	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_541	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_541	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_541	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_541	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_541	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_541	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_541	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_541	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_541	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_541	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_541	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_541	Nc1ccc(OC)cc1	C104949
PUBCHEM_541	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_541	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_541	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_541	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_541	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_541	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_541	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_541	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_541	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_541	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_541	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_541	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_541	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_541	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_541	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_541	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_541	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_541	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_541	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_541	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_541	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_541	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_541	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_541	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_541	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_541	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_541	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_541	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_541	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_541	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_541	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_541	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_541	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_541	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_541	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_541	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_541	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_541	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_541	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_541	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_541	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_541	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_541	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_541	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_541	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_541	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_541	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_541	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_541	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_541	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_541	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_541	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_541	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_541	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_541	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_541	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_541	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_541	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_541	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_541	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_541	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_541	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_541	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_541	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_541	CC1COc2ccccc2N1	C32329207
PUBCHEM_541	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_541	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_541	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_541	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_541	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_541	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_541	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_541	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_541	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_541	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_541	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_541	CCCCCc1ccco1	C3777693
PUBCHEM_543	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_543	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_543	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_543	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_543	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_543	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_543	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_543	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_543	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_543	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_543	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_543	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_543	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_543	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_543	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_543	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_543	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_543	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_543	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_543	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_543	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_543	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_543	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_543	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_543	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_543	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_543	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_543	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_543	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_543	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_543	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_543	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_543	Nc1cc(ccc1OC)C	C120718
PUBCHEM_543	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_543	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_543	Oc1cccc2cccnc12	C148243
PUBCHEM_543	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_543	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_543	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_543	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_543	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_543	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_543	Nc1c(OC)cccc1	C90040
PUBCHEM_543	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_543	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_543	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_543	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_543	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_543	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_543	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_543	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_543	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_543	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_543	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_543	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_543	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_543	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_543	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_543	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_543	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_543	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_543	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_543	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_543	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_543	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_543	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_543	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_543	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_543	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_543	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_543	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_543	CC1COc2ccccc2N1	C32329207
PUBCHEM_543	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_543	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_544	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_544	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_544	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_544	c1cccc(OC)c1O	C90051
PUBCHEM_544	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_544	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_544	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_544	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_544	Oc1c(OCC)cccc1	C94713
PUBCHEM_544	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_544	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_544	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_544	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_544	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_544	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_544	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_544	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_544	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_544	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_544	Oc1c(cccc1)O	C120809
PUBCHEM_544	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_544	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_544	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_544	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_544	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_544	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_544	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_544	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_544	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_544	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_544	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_544	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_544	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_544	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_544	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_544	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_544	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_544	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_544	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_544	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_544	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_544	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_544	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_544	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_544	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_544	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_544	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_544	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_544	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_544	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_544	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_544	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_544	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_544	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_545	Nc1ccccc1.Cl	C142041
PUBCHEM_545	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_545	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_545	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_545	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_545	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_545	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_545	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_545	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_545	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_545	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_545	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_545	c1cccc2[nH]ccc12	C120729
PUBCHEM_545	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_545	NC(=O)c1cccnc1	C98920
PUBCHEM_545	OC(=O)c1cccnc1	C59676
PUBCHEM_545	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_545	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_545	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_545	Nc1ccc(cc1)N	C106503
PUBCHEM_545	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_545	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_545	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_545	Nc1ccccc1C.Cl	C636215
PUBCHEM_545	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_545	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_545	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_545	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_545	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_545	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_545	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_545	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_545	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_545	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_545	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_545	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_545	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_545	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_545	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_545	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_545	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_545	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_545	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_545	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_545	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_545	c1ccc2ncsc2c1	C95169
PUBCHEM_545	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_545	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_545	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_545	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_545	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_545	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_545	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_545	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_545	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_545	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_545	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_545	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_545	Nc1cccc(C)c1C	C1300738
PUBCHEM_545	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_545	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_545	Nc1c(C)cccc1CC	C24549062
PUBCHEM_545	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_545	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_545	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_545	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_545	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_545	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_545	OCn1nc(C)cc1C	C85264331
PUBCHEM_545	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_545	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_545	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_545	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_545	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_545	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_545	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_545	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_545	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_545	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_545	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_545	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_545	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_545	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_545	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_545	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_545	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_545	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_545	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_545	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_545	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_545	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_545	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_545	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_545	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_545	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_545	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_545	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_545	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_545	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_545	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_545	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_545	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_545	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_545	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_545	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_545	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_545	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_545	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_545	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_545	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_545	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_545	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_545	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_545	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_545	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_545	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_545	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_545	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_545	O=C(N)Nc1ccccc1	C64108
PUBCHEM_545	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_545	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_545	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_545	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_545	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_545	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_545	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_545	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_545	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_545	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_545	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_545	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_545	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_545	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_545	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_545	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_545	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_545	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_545	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_545	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_545	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_545	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_545	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_545	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_545	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_545	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_545	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_545	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_545	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_545	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_545	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_545	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_545	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_545	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_545	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_545	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_545	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_545	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_545	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_545	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_545	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_545	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_545	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_545	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_545	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_545	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_545	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_545	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_545	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_545	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_545	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_545	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_545	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_545	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_545	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_545	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_545	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_545	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_545	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_545	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_545	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_545	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_545	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_545	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_545	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_545	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_545	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_545	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_545	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_545	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_545	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_545	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_545	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_545	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_545	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_545	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_545	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_545	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_545	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_545	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_545	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_545	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_545	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_545	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_545	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_545	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_545	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_545	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_545	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_545	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_545	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_545	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_545	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_545	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_545	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_545	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_545	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_545	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_545	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_545	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_545	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_545	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_545	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_545	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_545	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_545	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_545	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_545	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_545	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_545	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_545	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_545	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_545	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_545	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_545	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_545	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_545	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_545	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_545	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_545	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_545	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_545	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_545	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_545	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_545	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_545	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_545	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_545	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_545	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_545	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_545	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_545	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_545	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_545	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_545	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_545	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_545	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_545	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_545	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_545	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_545	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_545	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_545	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_545	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_545	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_545	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_545	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_545	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_545	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_545	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_545	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_545	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_545	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_545	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_545	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_545	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_545	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_545	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_545	Nc1ccc(cc1)Cl	C106478
PUBCHEM_545	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_545	Nc1cc(ccc1OC)C	C120718
PUBCHEM_545	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_545	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_545	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_545	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_545	CN(c1ccccc1)C	C121697
PUBCHEM_545	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_545	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_545	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_545	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_545	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_545	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_545	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_545	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_545	Oc1cccc2cccnc12	C148243
PUBCHEM_545	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_545	O=C(c1ccncc1)NN	C54853
PUBCHEM_545	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_545	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_545	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_545	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_545	Cc1cc2cccnc2cc1	C91623
PUBCHEM_545	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_545	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_545	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_545	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_545	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_545	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_545	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_545	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_545	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_545	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_545	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_545	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_545	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_545	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_545	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_545	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_545	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_545	Nc1cc(ccc1)N	C108452
PUBCHEM_545	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_545	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_545	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_545	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_545	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_545	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_545	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_545	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_545	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_545	n1cccc2c1cccc2	C91225
PUBCHEM_545	CCN(CC)c1ccccc1	C91667
PUBCHEM_545	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_545	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_545	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_545	CCNc1cc(C)ccc1	C102272
PUBCHEM_545	Nc1ccc(C)cc1	C106490
PUBCHEM_545	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_545	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_545	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_545	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_545	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_545	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_545	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_545	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_545	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_545	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_545	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_545	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_545	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_545	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_545	Nc1c(OC)cccc1	C90040
PUBCHEM_545	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_545	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_545	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_545	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_545	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_545	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_545	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_545	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_545	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_545	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_545	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_545	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_545	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_545	Nc1cc(C)ccc1N	C496720
PUBCHEM_545	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_545	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_545	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_545	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_545	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_545	N(c1ccccc1)CC	C103695
PUBCHEM_545	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_545	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_545	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_545	Nc1c(N)cccc1	C95545
PUBCHEM_545	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_545	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_545	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_545	Nc1c(cccc1)C	C95534
PUBCHEM_545	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_545	Nc1c(cccc1C)C	C87627
PUBCHEM_545	N#Cc1cnccc1	C100549
PUBCHEM_545	Nc1cccc(C)c1	C108441
PUBCHEM_545	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_545	Nc1c(CC)cccc1CC	C579668
PUBCHEM_545	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_545	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_545	Nc1cccc(C)c1N	C2687254
PUBCHEM_545	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_545	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_545	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_545	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_545	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_545	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_545	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_545	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_545	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_545	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_545	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_545	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_545	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_545	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_545	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_545	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_545	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_545	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_545	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_545	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_545	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_545	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_545	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_545	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_545	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_545	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_545	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_545	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_545	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_545	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_545	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_545	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_545	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_545	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_545	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_545	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_545	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_545	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_545	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_545	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_545	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_545	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_545	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_545	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_545	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_545	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_545	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_545	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_545	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_545	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_545	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_545	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_545	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_545	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_545	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_545	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_545	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_545	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_545	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_545	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_545	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_545	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_545	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_545	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_545	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_545	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_545	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_545	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_545	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_545	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_545	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_545	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_545	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_545	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_545	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_545	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_545	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_545	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_545	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_545	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_545	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_545	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_545	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_545	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_545	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_545	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_545	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_545	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_545	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_545	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_545	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_545	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_545	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_545	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_545	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_545	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_545	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_545	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_545	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_545	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_545	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_545	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_545	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_545	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_545	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_545	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_545	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_545	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_545	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_545	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_545	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_545	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_545	n1cc(C)ccc1	C108996
PUBCHEM_545	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_545	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_545	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_545	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_545	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_545	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_545	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_545	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_545	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_545	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_545	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_545	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_545	NNc1ccccc1.Cl	C59881
PUBCHEM_545	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_545	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_545	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_545	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_545	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_545	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_545	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_545	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_545	Nc1ccc(Br)cc1	C106401
PUBCHEM_545	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_545	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_545	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_545	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_545	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_545	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_545	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_545	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_545	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_545	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_545	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_545	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_545	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_545	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_545	Nc1ccc(OC)cc1	C104949
PUBCHEM_545	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_545	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_545	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_545	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_545	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_545	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_545	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_545	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_545	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_545	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_545	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_545	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_545	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_545	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_545	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_545	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_545	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_545	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_545	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_545	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_545	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_545	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_545	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_545	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_545	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_545	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_545	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_545	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_545	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_545	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_545	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_545	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_545	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_545	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_545	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_545	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_545	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_545	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_545	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_545	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_545	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_545	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_545	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_545	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_545	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_545	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_545	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_545	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_545	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_545	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_545	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_545	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_545	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_545	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_545	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_545	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_545	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_545	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_545	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_545	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_545	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_545	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_545	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_545	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_545	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_545	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_545	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_545	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_545	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_545	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_545	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_545	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_545	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_545	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_545	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_545	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_545	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_545	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_545	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_545	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_545	Nc1cccc(C)n1	C1824813
PUBCHEM_545	CC1COc2ccccc2N1	C32329207
PUBCHEM_545	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_545	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_545	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_545	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_545	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_545	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_545	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_545	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_545	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_545	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_545	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_547	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_547	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_547	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_547	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_547	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_547	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_547	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_547	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_547	n1c[nH]cc1	C288324
PUBCHEM_547	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_547	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_547	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_547	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_547	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_547	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_547	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_547	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_547	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_547	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_547	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_547	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_547	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_547	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_547	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_547	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_547	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_547	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_547	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_547	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_547	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_547	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_547	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_547	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_547	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_547	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_547	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_547	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_547	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_547	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_547	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_547	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_547	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_547	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_547	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_547	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_547	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_547	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_547	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_547	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_547	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_547	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_547	Nc1cc(C)ccc1N	C496720
PUBCHEM_547	Nc1c(N)cccc1	C95545
PUBCHEM_547	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_547	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_547	Nc1cccc(C)c1N	C2687254
PUBCHEM_547	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_547	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_547	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_547	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_547	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_547	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_547	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_547	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_547	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_547	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_547	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_547	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_547	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_547	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_547	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_547	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_547	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_547	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_547	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_547	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_547	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_547	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_547	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_547	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_547	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_547	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_547	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_547	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_547	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_547	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_547	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_547	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_547	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_547	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_547	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_547	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_547	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_547	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_547	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_547	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_547	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_547	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_548	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_548	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_548	CC(=O)OCc1ccccc1	C140114
PUBCHEM_548	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_548	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_548	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_548	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_548	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_548	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_548	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_548	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_548	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_548	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_548	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_548	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_548	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_548	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_548	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_548	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_548	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_548	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_548	COc1ccc(cc1)O	C150765
PUBCHEM_548	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_548	OC(=O)c1cccnc1	C59676
PUBCHEM_548	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_548	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_548	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_548	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_548	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_548	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_548	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_548	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_548	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_548	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_548	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_548	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_548	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_548	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_548	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_548	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_548	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_548	O=Cc1ccccc1O	C90028
PUBCHEM_548	Oc1cccc2ccccc12	C90153
PUBCHEM_548	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_548	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_548	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_548	Oc1ccc(Cl)cc1	C106489
PUBCHEM_548	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_548	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_548	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_548	Oc1ccc(CC)cc1	C123079
PUBCHEM_548	COc1ccc(OC)cc1	C150787
PUBCHEM_548	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_548	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_548	Oc1ccc(CCC)cc1	C645567
PUBCHEM_548	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_548	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_548	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_548	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_548	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_548	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_548	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_548	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_548	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_548	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_548	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_548	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_548	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_548	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_548	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_548	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_548	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_548	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_548	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_548	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_548	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_548	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_548	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_548	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_548	c1(c(CC)cccc1)O	C90006
PUBCHEM_548	c1c(O)cccc1CC	C620177
PUBCHEM_548	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_548	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_548	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_548	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_548	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_548	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_548	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_548	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_548	c1cccc(OC)c1O	C90051
PUBCHEM_548	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_548	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_548	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_548	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_548	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_548	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_548	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_548	Cc1cc(O)ccc1	C108394
PUBCHEM_548	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_548	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_548	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_548	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_548	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_548	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_548	Cc1c(C)cccc1O	C526750
PUBCHEM_548	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_548	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_548	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_548	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_548	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_548	c1c(CO)occ1	C98000
PUBCHEM_548	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_548	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_548	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_548	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_548	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_548	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_548	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_548	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_548	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_548	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_548	O=C(O)c1ccccc1O	C69727
PUBCHEM_548	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_548	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_548	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_548	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_548	Oc1ccc2ccccc2c1	C135193
PUBCHEM_548	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_548	OC(C)COc1ccccc1	C770354
PUBCHEM_548	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_548	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_548	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_548	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_548	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_548	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_548	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_548	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_548	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_548	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_548	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_548	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_548	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_548	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_548	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_548	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_548	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_548	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_548	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_548	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_548	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_548	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_548	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_548	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_548	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_548	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_548	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_548	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_548	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_548	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_548	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_548	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_548	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_548	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_548	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_548	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_548	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_548	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_548	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_548	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_548	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_548	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_548	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_548	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_548	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_548	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_548	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_548	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_548	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_548	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_548	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_548	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_548	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_548	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_548	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_548	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_548	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_548	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_548	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_548	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_548	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_548	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_548	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_548	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_548	O=C(c1ccccc1O)C	C118934
PUBCHEM_548	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_548	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_548	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_548	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_548	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_548	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_548	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_548	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_548	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_548	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_548	Oc1ccccc1CN(C)C	C120650
PUBCHEM_548	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_548	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_548	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_548	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_548	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_548	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_548	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_548	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_548	N#Cc1c(O)cccc1	C611201
PUBCHEM_548	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_548	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_548	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_548	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_548	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_548	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_548	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_548	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_548	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_548	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_548	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_548	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_548	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_548	Oc1c(OCC)cccc1	C94713
PUBCHEM_548	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_548	COc1ccc(CCC)cc1	C104450
PUBCHEM_548	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_548	OC(CO)c1ccccc1	C93561
PUBCHEM_548	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_548	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_548	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_548	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_548	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_548	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_548	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_548	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_548	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_548	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_548	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_548	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_548	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_548	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_548	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_548	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_548	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_548	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_548	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_548	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_548	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_548	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_548	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_548	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_548	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_548	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_548	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_548	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_548	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_548	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_548	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_548	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_548	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_548	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_548	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_548	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_548	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_548	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_548	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_548	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_548	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_548	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_548	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_548	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_548	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_548	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_548	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_548	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_548	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_548	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_548	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_548	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_548	c1ccccc1OCCO	C122996
PUBCHEM_548	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_548	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_548	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_548	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_548	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_548	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_548	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_548	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_548	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_548	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_548	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_548	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_548	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_548	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_548	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_548	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_548	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_548	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_548	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_548	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_548	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_548	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_548	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_548	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_548	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_548	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_548	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_548	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_548	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_548	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_548	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_548	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_548	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_548	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_548	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_548	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_548	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_548	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_548	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_548	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_548	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_548	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_548	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_548	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_548	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_548	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_548	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_548	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_548	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_548	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_548	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_548	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_548	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_548	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_548	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_548	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_548	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_548	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_548	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_548	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_548	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_548	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_548	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_548	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_548	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_548	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_548	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_548	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_548	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_548	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_548	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_548	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_548	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_548	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_548	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_548	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_548	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_548	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_548	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_548	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_548	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_548	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_548	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_548	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_548	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_548	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_548	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_548	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_548	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_548	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_548	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_548	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_548	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_548	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_548	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_548	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_548	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_548	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_548	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_548	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_548	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_548	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_548	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_548	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_548	c1coc2c1cccc2	C271896
PUBCHEM_548	OC(=O)c1ccccc1	C65850
PUBCHEM_548	OCc1ccccc1	C100516
PUBCHEM_548	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_548	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_548	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_548	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_548	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_548	Oc1c(cccc1)O	C120809
PUBCHEM_548	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_548	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_548	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_548	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_548	Nc1cc(ccc1OC)C	C120718
PUBCHEM_548	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_548	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_548	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_548	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_548	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_548	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_548	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_548	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_548	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_548	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_548	O=Cc1ccco1	C98011
PUBCHEM_548	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_548	Oc1ccc(cc1)O	C123319
PUBCHEM_548	Oc1cccc2cccnc12	C148243
PUBCHEM_548	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_548	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_548	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_548	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_548	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_548	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_548	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_548	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_548	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_548	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_548	Oc1ccccc1	C108952
PUBCHEM_548	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_548	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_548	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_548	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_548	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_548	Oc1cc(ccc1)O	C108463
PUBCHEM_548	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_548	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_548	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_548	C1C(c2ccccc2)O1	C96093
PUBCHEM_548	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_548	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_548	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_548	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_548	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_548	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_548	Oc1ccccc1Cl	C95578
PUBCHEM_548	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_548	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_548	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_548	Oc1c(C)cccc1	C95487
PUBCHEM_548	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_548	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_548	Oc1ccc(C)cc1	C106445
PUBCHEM_548	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_548	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_548	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_548	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_548	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_548	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_548	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_548	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_548	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_548	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_548	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_548	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_548	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_548	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_548	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_548	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_548	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_548	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_548	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_548	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_548	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_548	Nc1c(OC)cccc1	C90040
PUBCHEM_548	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_548	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_548	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_548	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_548	Oc1c(cccc1C)C	C576261
PUBCHEM_548	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_548	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_548	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_548	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_548	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_548	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_548	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_548	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_548	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_548	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_548	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_548	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_548	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_548	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_548	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_548	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_548	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_548	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_548	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_548	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_548	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_548	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_548	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_548	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_548	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_548	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_548	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_548	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_548	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_548	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_548	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_548	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_548	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_548	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_548	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_548	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_548	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_548	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_548	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_548	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_548	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_548	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_548	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_548	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_548	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_548	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_548	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_548	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_548	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_548	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_548	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_548	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_548	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_548	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_548	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_548	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_548	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_548	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_548	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_548	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_548	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_548	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_548	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_548	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_548	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_548	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_548	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_548	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_548	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_548	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_548	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_548	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_548	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_548	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_548	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_548	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_548	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_548	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_548	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_548	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_548	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_548	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_548	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_548	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_548	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_548	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_548	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_548	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_548	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_548	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_548	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_548	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_548	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_548	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_548	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_548	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_548	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_548	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_548	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_548	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_548	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_548	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_548	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_548	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_548	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_548	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_548	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_548	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_548	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_548	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_548	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_548	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_548	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_548	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_548	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_548	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_548	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_548	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_548	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_548	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_548	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_548	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_548	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_548	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_548	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_548	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_548	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_548	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_548	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_548	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_548	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_548	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_548	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_548	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_548	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_548	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_548	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_548	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_548	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_548	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_548	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_548	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_548	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_548	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_548	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_548	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_548	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_548	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_548	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_548	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_548	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_548	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_548	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_548	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_548	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_548	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_548	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_548	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_548	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_548	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_548	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_548	O=C(OCC)c1ccccc1	C93890
PUBCHEM_548	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_548	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_548	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_548	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_548	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_548	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_548	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_548	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_548	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_548	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_548	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_548	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_548	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_548	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_548	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_548	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_548	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_548	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_548	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_548	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_548	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_548	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_548	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_548	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_548	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_548	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_548	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_548	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_548	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_548	Nc1ccc(OC)cc1	C104949
PUBCHEM_548	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_548	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_548	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_548	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_548	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_548	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_548	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_548	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_548	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_548	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_548	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_548	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_548	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_548	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_548	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_548	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_548	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_548	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_548	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_548	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_548	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_548	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_548	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_548	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_548	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_548	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_548	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_548	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_548	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_548	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_548	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_548	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_548	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_548	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_548	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_548	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_548	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_548	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_548	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_548	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_548	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_548	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_548	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_548	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_548	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_548	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_548	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_548	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_548	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_548	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_548	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_548	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_548	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_548	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_548	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_548	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_548	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_548	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_548	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_548	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_548	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_548	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_548	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_548	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_548	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_548	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_548	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_548	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_548	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_548	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_548	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_548	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_548	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_548	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_548	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_548	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_548	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_548	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_548	CC1COc2ccccc2N1	C32329207
PUBCHEM_548	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_548	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_548	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_548	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_548	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_548	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_548	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_548	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_548	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_548	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_548	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_548	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_548	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_548	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_548	CCCCCc1ccco1	C3777693
PUBCHEM_549	Nc1ccccc1.Cl	C142041
PUBCHEM_549	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_549	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_549	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_549	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_549	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_549	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_549	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_549	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_549	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_549	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_549	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_549	c1cccc2[nH]ccc12	C120729
PUBCHEM_549	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_549	NC(=O)c1cccnc1	C98920
PUBCHEM_549	OC(=O)c1cccnc1	C59676
PUBCHEM_549	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_549	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_549	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_549	Nc1ccc(cc1)N	C106503
PUBCHEM_549	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_549	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_549	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_549	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_549	Nc1ccccc1C.Cl	C636215
PUBCHEM_549	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_549	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_549	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_549	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_549	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_549	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_549	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_549	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_549	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_549	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_549	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_549	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_549	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_549	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_549	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_549	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_549	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_549	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_549	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_549	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_549	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_549	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_549	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_549	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_549	c1ccc2ncsc2c1	C95169
PUBCHEM_549	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_549	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_549	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_549	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_549	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_549	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_549	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_549	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_549	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_549	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_549	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_549	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_549	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_549	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_549	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_549	Nc1cccc(C)c1C	C1300738
PUBCHEM_549	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_549	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_549	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_549	Nc1c(C)cccc1CC	C24549062
PUBCHEM_549	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_549	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_549	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_549	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_549	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_549	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_549	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_549	OCn1nc(C)cc1C	C85264331
PUBCHEM_549	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_549	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_549	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_549	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_549	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_549	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_549	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_549	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_549	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_549	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_549	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_549	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_549	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_549	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_549	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_549	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_549	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_549	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_549	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_549	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_549	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_549	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_549	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_549	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_549	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_549	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_549	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_549	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_549	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_549	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_549	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_549	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_549	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_549	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_549	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_549	Oc1ccccc1CN(C)C	C120650
PUBCHEM_549	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_549	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_549	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_549	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_549	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_549	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_549	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_549	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_549	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_549	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_549	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_549	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_549	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_549	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_549	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_549	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_549	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_549	O=C(N)Nc1ccccc1	C64108
PUBCHEM_549	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_549	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_549	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_549	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_549	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_549	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_549	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_549	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_549	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_549	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_549	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_549	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_549	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_549	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_549	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_549	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_549	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_549	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_549	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_549	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_549	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_549	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_549	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_549	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_549	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_549	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_549	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_549	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_549	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_549	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_549	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_549	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_549	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_549	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_549	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_549	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_549	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_549	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_549	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_549	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_549	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_549	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_549	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_549	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_549	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_549	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_549	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_549	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_549	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_549	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_549	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_549	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_549	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_549	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_549	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_549	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_549	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_549	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_549	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_549	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_549	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_549	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_549	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_549	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_549	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_549	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_549	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_549	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_549	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_549	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_549	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_549	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_549	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_549	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_549	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_549	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_549	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_549	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_549	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_549	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_549	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_549	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_549	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_549	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_549	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_549	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_549	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_549	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_549	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_549	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_549	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_549	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_549	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_549	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_549	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_549	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_549	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_549	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_549	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_549	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_549	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_549	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_549	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_549	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_549	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_549	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_549	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_549	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_549	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_549	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_549	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_549	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_549	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_549	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_549	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_549	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_549	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_549	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_549	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_549	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_549	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_549	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_549	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_549	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_549	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_549	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_549	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_549	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_549	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_549	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_549	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_549	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_549	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_549	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_549	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_549	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_549	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_549	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_549	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_549	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_549	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_549	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_549	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_549	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_549	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_549	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_549	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_549	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_549	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_549	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_549	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_549	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_549	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_549	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_549	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_549	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_549	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_549	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_549	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_549	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_549	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_549	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_549	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_549	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_549	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_549	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_549	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_549	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_549	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_549	Nc1ccc(cc1)Cl	C106478
PUBCHEM_549	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_549	Nc1cc(ccc1OC)C	C120718
PUBCHEM_549	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_549	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_549	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_549	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_549	CN(c1ccccc1)C	C121697
PUBCHEM_549	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_549	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_549	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_549	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_549	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_549	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_549	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_549	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_549	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_549	Oc1cccc2cccnc12	C148243
PUBCHEM_549	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_549	O=C(c1ccncc1)NN	C54853
PUBCHEM_549	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_549	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_549	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_549	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_549	Cc1cc2cccnc2cc1	C91623
PUBCHEM_549	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_549	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_549	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_549	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_549	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_549	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_549	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_549	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_549	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_549	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_549	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_549	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_549	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_549	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_549	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_549	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_549	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_549	Nc1cc(ccc1)N	C108452
PUBCHEM_549	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_549	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_549	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_549	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_549	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_549	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_549	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_549	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_549	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_549	n1cccc2c1cccc2	C91225
PUBCHEM_549	CCN(CC)c1ccccc1	C91667
PUBCHEM_549	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_549	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_549	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_549	CCNc1cc(C)ccc1	C102272
PUBCHEM_549	Nc1ccc(C)cc1	C106490
PUBCHEM_549	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_549	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_549	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_549	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_549	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_549	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_549	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_549	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_549	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_549	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_549	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_549	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_549	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_549	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_549	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_549	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_549	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_549	Nc1c(OC)cccc1	C90040
PUBCHEM_549	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_549	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_549	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_549	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_549	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_549	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_549	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_549	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_549	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_549	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_549	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_549	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_549	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_549	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_549	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_549	Nc1cc(C)ccc1N	C496720
PUBCHEM_549	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_549	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_549	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_549	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_549	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_549	N(c1ccccc1)CC	C103695
PUBCHEM_549	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_549	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_549	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_549	Nc1c(N)cccc1	C95545
PUBCHEM_549	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_549	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_549	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_549	Nc1c(cccc1)C	C95534
PUBCHEM_549	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_549	Nc1c(cccc1C)C	C87627
PUBCHEM_549	N#Cc1cnccc1	C100549
PUBCHEM_549	Nc1cccc(C)c1	C108441
PUBCHEM_549	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_549	Nc1c(CC)cccc1CC	C579668
PUBCHEM_549	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_549	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_549	Nc1cccc(C)c1N	C2687254
PUBCHEM_549	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_549	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_549	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_549	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_549	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_549	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_549	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_549	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_549	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_549	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_549	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_549	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_549	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_549	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_549	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_549	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_549	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_549	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_549	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_549	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_549	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_549	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_549	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_549	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_549	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_549	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_549	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_549	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_549	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_549	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_549	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_549	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_549	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_549	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_549	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_549	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_549	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_549	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_549	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_549	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_549	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_549	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_549	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_549	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_549	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_549	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_549	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_549	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_549	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_549	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_549	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_549	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_549	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_549	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_549	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_549	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_549	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_549	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_549	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_549	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_549	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_549	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_549	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_549	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_549	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_549	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_549	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_549	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_549	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_549	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_549	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_549	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_549	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_549	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_549	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_549	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_549	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_549	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_549	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_549	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_549	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_549	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_549	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_549	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_549	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_549	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_549	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_549	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_549	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_549	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_549	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_549	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_549	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_549	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_549	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_549	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_549	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_549	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_549	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_549	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_549	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_549	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_549	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_549	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_549	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_549	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_549	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_549	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_549	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_549	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_549	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_549	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_549	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_549	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_549	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_549	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_549	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_549	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_549	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_549	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_549	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_549	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_549	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_549	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_549	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_549	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_549	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_549	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_549	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_549	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_549	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_549	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_549	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_549	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_549	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_549	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_549	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_549	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_549	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_549	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_549	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_549	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_549	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_549	NCc1cccc(CN)c1	C1477550
PUBCHEM_549	n1cc(C)ccc1	C108996
PUBCHEM_549	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_549	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_549	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_549	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_549	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_549	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_549	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_549	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_549	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_549	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_549	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_549	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_549	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_549	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_549	NNc1ccccc1.Cl	C59881
PUBCHEM_549	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_549	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_549	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_549	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_549	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_549	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_549	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_549	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_549	Nc1ccc(Br)cc1	C106401
PUBCHEM_549	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_549	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_549	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_549	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_549	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_549	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_549	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_549	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_549	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_549	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_549	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_549	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_549	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_549	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_549	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_549	Nc1ccc(OC)cc1	C104949
PUBCHEM_549	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_549	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_549	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_549	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_549	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_549	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_549	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_549	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_549	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_549	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_549	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_549	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_549	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_549	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_549	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_549	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_549	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_549	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_549	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_549	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_549	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_549	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_549	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_549	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_549	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_549	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_549	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_549	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_549	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_549	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_549	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_549	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_549	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_549	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_549	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_549	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_549	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_549	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_549	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_549	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_549	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_549	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_549	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_549	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_549	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_549	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_549	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_549	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_549	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_549	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_549	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_549	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_549	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_549	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_549	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_549	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_549	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_549	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_549	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_549	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_549	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_549	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_549	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_549	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_549	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_549	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_549	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_549	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_549	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_549	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_549	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_549	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_549	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_549	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_549	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_549	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_549	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_549	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_549	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_549	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_549	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_549	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_549	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_549	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_549	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_549	Nc1cccc(C)n1	C1824813
PUBCHEM_549	CC1COc2ccccc2N1	C32329207
PUBCHEM_549	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_549	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_549	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_549	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_549	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_549	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_549	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_549	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_549	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_549	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_549	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_549	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_549	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_550	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_550	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_550	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_550	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_550	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_550	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_550	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_550	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_550	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_550	OC(CO)CCl	C96242
PUBCHEM_550	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_550	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_550	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_550	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_550	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_550	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_550	ClCC(Cl)CCl	C96184
PUBCHEM_550	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_550	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_550	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_550	Oc1ccc(Cl)cc1	C106489
PUBCHEM_550	C=CC(Cl)CCl	C760236
PUBCHEM_550	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_550	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_550	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_550	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_550	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_550	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_550	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_550	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_550	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_550	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_550	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_550	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_550	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_550	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_550	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_550	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_550	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_550	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_550	Clc1cccc(C)c1	C25168052
PUBCHEM_550	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_550	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_550	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_550	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_550	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_550	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_550	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_550	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_550	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_550	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_550	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_550	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_550	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_550	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_550	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_550	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_550	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_550	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_550	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_550	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_550	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_550	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_550	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_550	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_550	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_550	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_550	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_550	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_550	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_550	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_550	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_550	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_550	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_550	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_550	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_550	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_550	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_550	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_550	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_550	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_550	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_550	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_550	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_550	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_550	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_550	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_550	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_550	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_550	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_550	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_550	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_550	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_550	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_550	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_550	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_550	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_550	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_550	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_550	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_550	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_550	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_550	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_550	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_550	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_550	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_550	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_550	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_550	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_550	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_550	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_550	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_550	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_550	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_550	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_550	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_550	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_550	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_550	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_550	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_550	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_550	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_550	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_550	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_550	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_550	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_550	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_550	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_550	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_550	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_550	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_550	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_550	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_550	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_550	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_550	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_550	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_550	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_550	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_550	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_550	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_550	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_550	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_550	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_550	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_550	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_550	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_550	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_550	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_550	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_550	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_550	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_550	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_550	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_550	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_550	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_550	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_550	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_550	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_550	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_550	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_550	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_550	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_550	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_550	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_550	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_550	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_550	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_550	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_550	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_550	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_550	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_550	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_550	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_550	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_550	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_550	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_550	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_550	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_550	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_550	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_550	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_550	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_550	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_550	O=C(c1ccccc1)CCl	C532274
PUBCHEM_550	Nc1ccc(cc1)Cl	C106478
PUBCHEM_550	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_550	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_550	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_550	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_550	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_550	Clc1c(cccc1)Cl	C95501
PUBCHEM_550	Clc1ccc(cc1)Cl	C106467
PUBCHEM_550	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_550	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_550	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_550	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_550	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_550	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_550	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_550	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_550	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_550	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_550	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_550	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_550	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_550	Oc1ccccc1Cl	C95578
PUBCHEM_550	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_550	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_550	Clc1cc(Cl)ccc1	C541731
PUBCHEM_550	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_550	Cc1ccccc1Cl	C95498
PUBCHEM_550	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_550	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_550	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_550	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_550	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_550	Cc1ccc(Cl)cc1	C106434
PUBCHEM_550	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_550	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_550	OC(CCl)CCl	C96231
PUBCHEM_550	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_550	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_550	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_550	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_550	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_550	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_550	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_550	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_550	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_550	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_550	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_550	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_550	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_550	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_550	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_550	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_550	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_550	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_550	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_550	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_550	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_550	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_550	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_550	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_550	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_550	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_550	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_550	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_550	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_550	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_550	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_550	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_550	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_550	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_550	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_550	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_550	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_550	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_550	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_550	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_550	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_550	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_550	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_550	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_550	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_550	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_550	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_550	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_550	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_550	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_550	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_550	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_550	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_550	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_550	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_550	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_550	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_550	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_550	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_550	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_550	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_550	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_550	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_550	O=C(CCl)CCl	C534076
PUBCHEM_550	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_550	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_550	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_550	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_550	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_550	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_550	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_550	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_550	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_550	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_550	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_550	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_550	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_550	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_550	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_550	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_550	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_550	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_550	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_550	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_550	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_550	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_550	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_550	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_550	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_550	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_550	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_550	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_550	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_550	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_550	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_550	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_550	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_550	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_550	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_550	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_550	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_550	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_550	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_550	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_550	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_550	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_550	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_550	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_551	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_551	OC(CO)CCl	C96242
PUBCHEM_551	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_551	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_551	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_551	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_551	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_551	ClCCOP(OCCCl)OCCCl	C140089
PUBCHEM_551	O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C	C13674845
PUBCHEM_551	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_551	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_551	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_551	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_551	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_551	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_551	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_551	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_551	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_551	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_551	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_551	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_551	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	C52686
PUBCHEM_551	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_551	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_551	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_551	O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br	C300765
PUBCHEM_551	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_551	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_551	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_551	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_551	P(=S)(OC(C(Cl)(Cl)Cl)Cl)(OCC)OCC	C54593838
PUBCHEM_551	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_551	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_551	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_551	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_551	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_551	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_551	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_551	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_551	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_551	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_551	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_551	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_551	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_551	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_551	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_551	ClCCOCCCl	C111444
PUBCHEM_551	OC(=O)C(Cl)Cl	C79436
PUBCHEM_551	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_551	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_551	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_551	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_551	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_551	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_551	O=P(OCCCl)(OCCCl)OCCCl	C115968
PUBCHEM_551	Oc1ccccc1Cl	C95578
PUBCHEM_551	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_551	ClCCO	C107073
PUBCHEM_551	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_551	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_551	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_551	OC(CCl)CCl	C96231
PUBCHEM_551	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	C13674878
PUBCHEM_551	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_551	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_551	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_551	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_551	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_551	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_551	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_551	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_551	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_551	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_551	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_551	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_551	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_551	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_551	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_552	Nc1ccccc1.Cl	C142041
PUBCHEM_552	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_552	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_552	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_552	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_552	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_552	CC(=O)OCc1ccccc1	C140114
PUBCHEM_552	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_552	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_552	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_552	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_552	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_552	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_552	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_552	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_552	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_552	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_552	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_552	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_552	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_552	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_552	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_552	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_552	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_552	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_552	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_552	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_552	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_552	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_552	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_552	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_552	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_552	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_552	c1cccc2[nH]ccc12	C120729
PUBCHEM_552	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_552	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_552	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_552	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_552	COc1ccc(cc1)O	C150765
PUBCHEM_552	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_552	C=Cc1ccc(cc1)C	C622979
PUBCHEM_552	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_552	NC(=O)c1cccnc1	C98920
PUBCHEM_552	OC(=O)c1cccnc1	C59676
PUBCHEM_552	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_552	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_552	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_552	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_552	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_552	Nc1ccc(cc1)N	C106503
PUBCHEM_552	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_552	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_552	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_552	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_552	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_552	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_552	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_552	Nc1ccccc1C.Cl	C636215
PUBCHEM_552	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_552	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_552	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_552	O=CCc1ccccc1	C122781
PUBCHEM_552	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_552	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_552	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_552	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_552	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_552	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_552	O=Cc1ccccc1O	C90028
PUBCHEM_552	Oc1cccc2ccccc12	C90153
PUBCHEM_552	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_552	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_552	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_552	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_552	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_552	Oc1ccc(Cl)cc1	C106489
PUBCHEM_552	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_552	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_552	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_552	Oc1ccc(CC)cc1	C123079
PUBCHEM_552	COc1ccc(OC)cc1	C150787
PUBCHEM_552	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_552	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_552	Oc1ccc(CCC)cc1	C645567
PUBCHEM_552	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_552	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_552	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_552	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_552	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_552	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_552	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_552	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_552	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_552	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_552	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_552	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_552	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_552	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_552	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_552	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_552	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_552	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_552	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_552	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_552	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_552	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_552	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_552	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_552	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_552	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_552	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_552	c1(c(CC)cccc1)O	C90006
PUBCHEM_552	c1c(O)cccc1CC	C620177
PUBCHEM_552	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_552	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_552	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_552	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_552	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_552	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_552	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_552	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_552	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_552	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_552	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_552	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_552	c1cccc(OC)c1O	C90051
PUBCHEM_552	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_552	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_552	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_552	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_552	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_552	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_552	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_552	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_552	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_552	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_552	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_552	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_552	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_552	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_552	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_552	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_552	Cc1cc(O)ccc1	C108394
PUBCHEM_552	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_552	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_552	c1ccc2ncsc2c1	C95169
PUBCHEM_552	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_552	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_552	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_552	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_552	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_552	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_552	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_552	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_552	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_552	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_552	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_552	Cc1c(C)cccc1O	C526750
PUBCHEM_552	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_552	C=Cc1ccccc1C=C	C1321740
PUBCHEM_552	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_552	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_552	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_552	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_552	c1c(CO)occ1	C98000
PUBCHEM_552	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_552	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_552	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_552	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_552	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_552	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_552	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_552	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_552	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_552	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_552	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_552	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_552	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_552	c12ccccc1CCCC2	C119642
PUBCHEM_552	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_552	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_552	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_552	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_552	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_552	Cc1cccc(C)c1	C108383
PUBCHEM_552	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_552	OCCc1ccccc1	C60128
PUBCHEM_552	O=C(O)c1ccccc1O	C69727
PUBCHEM_552	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_552	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_552	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_552	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_552	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_552	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_552	Sc1ccccc1	C108985
PUBCHEM_552	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_552	Oc1ccc2ccccc2c1	C135193
PUBCHEM_552	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_552	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_552	Brc1ccc(F)cc1	C460004
PUBCHEM_552	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_552	ClP(c1ccccc1)Cl	C644973
PUBCHEM_552	OC(C)COc1ccccc1	C770354
PUBCHEM_552	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_552	Nc1cccc(C)c1C	C1300738
PUBCHEM_552	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_552	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_552	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_552	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_552	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_552	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_552	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_552	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_552	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_552	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_552	Nc1c(C)cccc1CC	C24549062
PUBCHEM_552	Clc1cccc(C)c1	C25168052
PUBCHEM_552	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_552	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_552	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_552	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_552	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_552	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_552	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_552	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_552	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_552	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_552	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_552	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_552	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_552	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_552	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_552	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_552	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_552	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_552	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_552	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_552	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_552	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_552	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_552	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_552	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_552	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_552	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_552	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_552	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_552	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_552	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_552	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_552	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_552	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_552	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_552	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_552	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_552	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_552	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_552	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_552	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_552	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_552	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_552	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_552	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_552	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_552	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_552	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_552	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_552	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_552	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_552	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_552	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_552	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_552	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_552	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_552	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_552	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_552	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_552	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_552	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_552	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_552	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_552	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_552	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_552	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_552	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_552	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_552	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_552	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_552	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_552	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_552	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_552	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_552	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_552	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_552	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_552	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_552	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_552	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_552	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_552	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_552	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_552	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_552	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_552	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_552	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_552	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_552	O=C(c1ccccc1O)C	C118934
PUBCHEM_552	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_552	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_552	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_552	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_552	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_552	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_552	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_552	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_552	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_552	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_552	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_552	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_552	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_552	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_552	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_552	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_552	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_552	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_552	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_552	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_552	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_552	Oc1ccccc1CN(C)C	C120650
PUBCHEM_552	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_552	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_552	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_552	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_552	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_552	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_552	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_552	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_552	OCC=Cc1ccccc1	C104541
PUBCHEM_552	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_552	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_552	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_552	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_552	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_552	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_552	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_552	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_552	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_552	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_552	N#Cc1c(O)cccc1	C611201
PUBCHEM_552	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_552	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_552	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_552	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_552	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_552	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_552	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_552	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_552	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_552	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_552	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_552	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_552	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_552	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_552	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_552	c12ccccc1CC=C2	C95136
PUBCHEM_552	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_552	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_552	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_552	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_552	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_552	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_552	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_552	Oc1c(OCC)cccc1	C94713
PUBCHEM_552	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_552	COc1ccc(CCC)cc1	C104450
PUBCHEM_552	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_552	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_552	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_552	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_552	OC(CO)c1ccccc1	C93561
PUBCHEM_552	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_552	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_552	O=C(N)Nc1ccccc1	C64108
PUBCHEM_552	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_552	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_552	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_552	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_552	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_552	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_552	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_552	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_552	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_552	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_552	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_552	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_552	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_552	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_552	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_552	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_552	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_552	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_552	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_552	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_552	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_552	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_552	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_552	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_552	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_552	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_552	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_552	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_552	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_552	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_552	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_552	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_552	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_552	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_552	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_552	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_552	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_552	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_552	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_552	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_552	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_552	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_552	Sc1ccc(C)cc1	C106456
PUBCHEM_552	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_552	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_552	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_552	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_552	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_552	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_552	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_552	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_552	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_552	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_552	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_552	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_552	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_552	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_552	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_552	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_552	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_552	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_552	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_552	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_552	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_552	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_552	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_552	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_552	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_552	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_552	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_552	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_552	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_552	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_552	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_552	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_552	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_552	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_552	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_552	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_552	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_552	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_552	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_552	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_552	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_552	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_552	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_552	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_552	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_552	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_552	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_552	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_552	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_552	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_552	c1ccccc1OCCO	C122996
PUBCHEM_552	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_552	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_552	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_552	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_552	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_552	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_552	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_552	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_552	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_552	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_552	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_552	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_552	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_552	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_552	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_552	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_552	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_552	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_552	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_552	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_552	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_552	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_552	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_552	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_552	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_552	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_552	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_552	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_552	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_552	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_552	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_552	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_552	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_552	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_552	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_552	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_552	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_552	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_552	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_552	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_552	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_552	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_552	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_552	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_552	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_552	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_552	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_552	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_552	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_552	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_552	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_552	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_552	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_552	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_552	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_552	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_552	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_552	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_552	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_552	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_552	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_552	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_552	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_552	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_552	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_552	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_552	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_552	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_552	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_552	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_552	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_552	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_552	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_552	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_552	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_552	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_552	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_552	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_552	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_552	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_552	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_552	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_552	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_552	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_552	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_552	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_552	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_552	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_552	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_552	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_552	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_552	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_552	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_552	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_552	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_552	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_552	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_552	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_552	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_552	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_552	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_552	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_552	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_552	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_552	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_552	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_552	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_552	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_552	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_552	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_552	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_552	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_552	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_552	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_552	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_552	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_552	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_552	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_552	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_552	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_552	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_552	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_552	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_552	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_552	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_552	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_552	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_552	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_552	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_552	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_552	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_552	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_552	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_552	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_552	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_552	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_552	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_552	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_552	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_552	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_552	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_552	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_552	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_552	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_552	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_552	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_552	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_552	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_552	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_552	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_552	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_552	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_552	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_552	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_552	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_552	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_552	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_552	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_552	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_552	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_552	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_552	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_552	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_552	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_552	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_552	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_552	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_552	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_552	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_552	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_552	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_552	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_552	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_552	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_552	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_552	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_552	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_552	c1coc2c1cccc2	C271896
PUBCHEM_552	OC(=O)c1ccccc1	C65850
PUBCHEM_552	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_552	OCc1ccccc1	C100516
PUBCHEM_552	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_552	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_552	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_552	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_552	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_552	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_552	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_552	Oc1c(cccc1)O	C120809
PUBCHEM_552	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_552	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_552	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_552	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_552	O=C(c1ccccc1)CCl	C532274
PUBCHEM_552	Nc1ccc(cc1)Cl	C106478
PUBCHEM_552	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_552	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_552	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_552	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_552	Nc1cc(ccc1OC)C	C120718
PUBCHEM_552	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_552	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_552	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_552	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_552	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_552	Clc1c(cccc1)Cl	C95501
PUBCHEM_552	Clc1ccc(cc1)Cl	C106467
PUBCHEM_552	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_552	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_552	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_552	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_552	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_552	CN(c1ccccc1)C	C121697
PUBCHEM_552	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_552	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_552	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_552	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_552	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_552	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_552	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_552	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_552	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_552	O=Cc1ccco1	C98011
PUBCHEM_552	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_552	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_552	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_552	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_552	Oc1ccc(cc1)O	C123319
PUBCHEM_552	Oc1cccc2cccnc12	C148243
PUBCHEM_552	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_552	O=C(c1ccncc1)NN	C54853
PUBCHEM_552	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_552	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_552	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_552	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_552	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_552	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_552	Cc1cc2cccnc2cc1	C91623
PUBCHEM_552	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_552	c1c2c(ccc1)cccc2	C91203
PUBCHEM_552	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_552	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_552	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_552	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_552	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_552	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_552	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_552	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_552	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_552	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_552	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_552	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_552	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_552	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_552	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_552	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_552	Oc1ccccc1	C108952
PUBCHEM_552	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_552	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_552	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_552	Nc1cc(ccc1)N	C108452
PUBCHEM_552	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_552	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_552	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_552	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_552	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_552	Oc1cc(ccc1)O	C108463
PUBCHEM_552	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_552	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_552	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_552	C1C(c2ccccc2)O1	C96093
PUBCHEM_552	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_552	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_552	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_552	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_552	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_552	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_552	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_552	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_552	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_552	Oc1ccccc1Cl	C95578
PUBCHEM_552	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_552	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_552	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_552	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_552	n1cccc2c1cccc2	C91225
PUBCHEM_552	CCN(CC)c1ccccc1	C91667
PUBCHEM_552	Oc1c(C)cccc1	C95487
PUBCHEM_552	c1ccccc1C(=O)C	C98862
PUBCHEM_552	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_552	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_552	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_552	CCNc1cc(C)ccc1	C102272
PUBCHEM_552	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_552	Oc1ccc(C)cc1	C106445
PUBCHEM_552	Nc1ccc(C)cc1	C106490
PUBCHEM_552	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_552	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_552	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_552	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_552	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_552	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_552	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_552	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_552	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_552	Clc1cc(Cl)ccc1	C541731
PUBCHEM_552	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_552	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_552	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_552	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_552	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_552	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_552	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_552	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_552	c1(CCCC)ccccc1	C104518
PUBCHEM_552	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_552	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_552	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_552	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_552	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_552	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_552	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_552	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_552	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_552	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_552	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_552	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_552	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_552	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_552	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_552	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_552	Nc1c(OC)cccc1	C90040
PUBCHEM_552	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_552	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_552	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_552	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_552	Cc1ccccc1Cl	C95498
PUBCHEM_552	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_552	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_552	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_552	Oc1c(cccc1C)C	C576261
PUBCHEM_552	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_552	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_552	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_552	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_552	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_552	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_552	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_552	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_552	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_552	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_552	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_552	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_552	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_552	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_552	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_552	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_552	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_552	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_552	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_552	Cc1ccc(Cl)cc1	C106434
PUBCHEM_552	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_552	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_552	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_552	Nc1cc(C)ccc1N	C496720
PUBCHEM_552	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_552	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_552	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_552	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_552	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_552	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_552	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_552	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_552	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_552	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_552	N(c1ccccc1)CC	C103695
PUBCHEM_552	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_552	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_552	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_552	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_552	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_552	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_552	Nc1c(N)cccc1	C95545
PUBCHEM_552	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_552	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_552	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_552	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_552	Nc1c(cccc1)C	C95534
PUBCHEM_552	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_552	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_552	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_552	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_552	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_552	Nc1c(cccc1C)C	C87627
PUBCHEM_552	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_552	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_552	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_552	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_552	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_552	N#Cc1cnccc1	C100549
PUBCHEM_552	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_552	Nc1cccc(C)c1	C108441
PUBCHEM_552	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_552	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_552	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_552	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_552	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_552	Nc1c(CC)cccc1CC	C579668
PUBCHEM_552	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_552	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_552	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_552	Nc1cccc(C)c1N	C2687254
PUBCHEM_552	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_552	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_552	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_552	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_552	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_552	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_552	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_552	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_552	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_552	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_552	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_552	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_552	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_552	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_552	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_552	O=Cc1ccccc1C=O	C643798
PUBCHEM_552	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_552	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_552	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_552	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_552	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_552	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_552	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_552	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_552	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_552	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_552	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_552	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_552	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_552	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_552	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_552	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_552	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_552	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_552	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_552	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_552	CCCc1ccccc1	C103651
PUBCHEM_552	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_552	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_552	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_552	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_552	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_552	CC(C)(C)c1ccccc1	C98066
PUBCHEM_552	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_552	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_552	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_552	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_552	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_552	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_552	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_552	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_552	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_552	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_552	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_552	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_552	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_552	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_552	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_552	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_552	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_552	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_552	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_552	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_552	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_552	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_552	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_552	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_552	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_552	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_552	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_552	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_552	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_552	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_552	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_552	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_552	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_552	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_552	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_552	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_552	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_552	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_552	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_552	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_552	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_552	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_552	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_552	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_552	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_552	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_552	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_552	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_552	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_552	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_552	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_552	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_552	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_552	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_552	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_552	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_552	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_552	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_552	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_552	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_552	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_552	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_552	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_552	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_552	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_552	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_552	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_552	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_552	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_552	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_552	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_552	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_552	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_552	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_552	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_552	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_552	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_552	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_552	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_552	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_552	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_552	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_552	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_552	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_552	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_552	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_552	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_552	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_552	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_552	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_552	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_552	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_552	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_552	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_552	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_552	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_552	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_552	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_552	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_552	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_552	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_552	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_552	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_552	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_552	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_552	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_552	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_552	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_552	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_552	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_552	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_552	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_552	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_552	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_552	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_552	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_552	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_552	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_552	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_552	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_552	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_552	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_552	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_552	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_552	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_552	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_552	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_552	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_552	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_552	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_552	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_552	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_552	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_552	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_552	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_552	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_552	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_552	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_552	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_552	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_552	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_552	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_552	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_552	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_552	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_552	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_552	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_552	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_552	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_552	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_552	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_552	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_552	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_552	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_552	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_552	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_552	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_552	O=C(OCC)c1ccccc1	C93890
PUBCHEM_552	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_552	NCc1cccc(CN)c1	C1477550
PUBCHEM_552	n1cc(C)ccc1	C108996
PUBCHEM_552	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_552	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_552	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_552	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_552	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_552	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_552	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_552	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_552	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_552	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_552	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_552	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_552	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_552	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_552	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_552	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_552	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_552	NNc1ccccc1.Cl	C59881
PUBCHEM_552	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_552	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_552	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_552	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_552	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_552	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_552	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_552	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_552	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_552	N#Cc1ccccc1	C100470
PUBCHEM_552	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_552	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_552	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_552	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_552	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_552	Nc1ccc(Br)cc1	C106401
PUBCHEM_552	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_552	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_552	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_552	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_552	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_552	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_552	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_552	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_552	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_552	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_552	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_552	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_552	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_552	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_552	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_552	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_552	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_552	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_552	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_552	Nc1ccc(OC)cc1	C104949
PUBCHEM_552	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_552	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_552	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_552	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_552	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_552	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_552	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_552	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_552	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_552	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_552	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_552	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_552	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_552	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_552	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_552	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_552	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_552	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_552	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_552	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_552	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_552	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_552	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_552	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_552	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_552	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_552	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_552	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_552	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_552	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_552	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_552	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_552	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_552	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_552	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_552	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_552	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_552	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_552	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_552	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_552	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_552	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_552	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_552	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_552	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_552	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_552	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_552	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_552	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_552	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_552	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_552	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_552	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_552	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_552	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_552	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_552	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_552	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_552	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_552	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_552	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_552	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_552	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_552	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_552	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_552	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_552	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_552	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_552	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_552	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_552	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_552	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_552	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_552	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_552	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_552	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_552	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_552	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_552	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_552	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_552	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_552	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_552	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_552	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_552	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_552	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_552	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_552	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_552	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_552	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_552	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_552	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_552	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_552	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_552	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_552	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_552	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_552	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_552	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_552	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_552	Cl[Hg]c1ccccc1	C100561
PUBCHEM_552	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_552	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_552	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_552	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_552	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_552	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_552	O=[As]c1ccccc1	C637036
PUBCHEM_552	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_552	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_552	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_552	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_552	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_552	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_552	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_552	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_552	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_552	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_552	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_552	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_552	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_552	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_552	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_552	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_552	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_552	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_552	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_552	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_552	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_552	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_552	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_552	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_552	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_552	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_552	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_552	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_552	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_552	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_552	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_552	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_552	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_552	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_552	Nc1cccc(C)n1	C1824813
PUBCHEM_552	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_552	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_552	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_552	CC1COc2ccccc2N1	C32329207
PUBCHEM_552	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_552	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_552	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_552	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_552	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_552	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_552	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_552	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_552	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_552	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_552	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_552	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_552	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_552	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_552	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_552	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_552	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_552	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_552	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_552	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_552	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_552	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_552	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_552	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_552	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_552	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_552	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_552	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_552	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_552	CCCCCc1ccco1	C3777693
PUBCHEM_552	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_553	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_553	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_553	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_553	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_553	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_553	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_553	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_553	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_553	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_553	NC(=O)c1cccnc1	C98920
PUBCHEM_553	OC(=O)c1cccnc1	C59676
PUBCHEM_553	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_553	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_553	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_553	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_553	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_553	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_553	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_553	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_553	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_553	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_553	O=Cc1ccccc1O	C90028
PUBCHEM_553	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_553	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_553	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_553	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_553	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_553	C=CC(=O)OCCO	C818611
PUBCHEM_553	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_553	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_553	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_553	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_553	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_553	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_553	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_553	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_553	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_553	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_553	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_553	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_553	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_553	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_553	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_553	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_553	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_553	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_553	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_553	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_553	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_553	O=C(OCCCC)C=C	C141322
PUBCHEM_553	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_553	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_553	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_553	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_553	CCC(=CCCC)C=O	C645625
PUBCHEM_553	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_553	c1c(CO)occ1	C98000
PUBCHEM_553	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_553	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_553	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_553	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_553	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_553	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_553	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_553	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_553	O=C(O)c1ccccc1O	C69727
PUBCHEM_553	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_553	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_553	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_553	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_553	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_553	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_553	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_553	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_553	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_553	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_553	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_553	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_553	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_553	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_553	O=C(C=C(C)C)C	C141797
PUBCHEM_553	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_553	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_553	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_553	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_553	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_553	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_553	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_553	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_553	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_553	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_553	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_553	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_553	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_553	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_553	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_553	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_553	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_553	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_553	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_553	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_553	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_553	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_553	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_553	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_553	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_553	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_553	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_553	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_553	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_553	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_553	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_553	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_553	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_553	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_553	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_553	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_553	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_553	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_553	O=C(c1ccccc1O)C	C118934
PUBCHEM_553	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_553	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_553	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_553	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_553	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_553	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_553	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_553	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_553	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_553	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_553	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_553	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_553	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_553	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_553	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_553	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_553	O=C/C=C/CCC	C6728263
PUBCHEM_553	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_553	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_553	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_553	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_553	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_553	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_553	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_553	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_553	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_553	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_553	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_553	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_553	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_553	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_553	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_553	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_553	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_553	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_553	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_553	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_553	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_553	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_553	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_553	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_553	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_553	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_553	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_553	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_553	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_553	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_553	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_553	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_553	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_553	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_553	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_553	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_553	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_553	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_553	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_553	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_553	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_553	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_553	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_553	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_553	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_553	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_553	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_553	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_553	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_553	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_553	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_553	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_553	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_553	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_553	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_553	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_553	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_553	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_553	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_553	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_553	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_553	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_553	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_553	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_553	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_553	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_553	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_553	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_553	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_553	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_553	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_553	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_553	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_553	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_553	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_553	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_553	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_553	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_553	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_553	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_553	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_553	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_553	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_553	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_553	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_553	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_553	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_553	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_553	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_553	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_553	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_553	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_553	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_553	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_553	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_553	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_553	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_553	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_553	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_553	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_553	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_553	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_553	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_553	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_553	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_553	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_553	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_553	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_553	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_553	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_553	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_553	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_553	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_553	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_553	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_553	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_553	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_553	NC(=O)C=C	C79061
PUBCHEM_553	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_553	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_553	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_553	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_553	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_553	c1coc2c1cccc2	C271896
PUBCHEM_553	OC(=O)c1ccccc1	C65850
PUBCHEM_553	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_553	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_553	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_553	O=C(c1ccccc1)CCl	C532274
PUBCHEM_553	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_553	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_553	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_553	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_553	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_553	O=Cc1ccco1	C98011
PUBCHEM_553	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_553	O=C(c1ccncc1)NN	C54853
PUBCHEM_553	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_553	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_553	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_553	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_553	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_553	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_553	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_553	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_553	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_553	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_553	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_553	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_553	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_553	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_553	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_553	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_553	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_553	OC(=O)C=CC=CC	C110441
PUBCHEM_553	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_553	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_553	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_553	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_553	c1ccccc1C(=O)C	C98862
PUBCHEM_553	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_553	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_553	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_553	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_553	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_553	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_553	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_553	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_553	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_553	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_553	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_553	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_553	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_553	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_553	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_553	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_553	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_553	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_553	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_553	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_553	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_553	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_553	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_553	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_553	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_553	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_553	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_553	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_553	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_553	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_553	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_553	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_553	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_553	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_553	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_553	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_553	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_553	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_553	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_553	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_553	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_553	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_553	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_553	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_553	O=C(N)C(=C)C	C79390
PUBCHEM_553	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_553	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_553	O=Cc1ccccc1C=O	C643798
PUBCHEM_553	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_553	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_553	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_553	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_553	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_553	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_553	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_553	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_553	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_553	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_553	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_553	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_553	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_553	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_553	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_553	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_553	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_553	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_553	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_553	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_553	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_553	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_553	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_553	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_553	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_553	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_553	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_553	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_553	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_553	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_553	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_553	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_553	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_553	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_553	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_553	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_553	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_553	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_553	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_553	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_553	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_553	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_553	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_553	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_553	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_553	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_553	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_553	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_553	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_553	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_553	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_553	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_553	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_553	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_553	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_553	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_553	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_553	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_553	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_553	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_553	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_553	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_553	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_553	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_553	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_553	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_553	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_553	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_553	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_553	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_553	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_553	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_553	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_553	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_553	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_553	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_553	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_553	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_553	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_553	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_553	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_553	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_553	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_553	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_553	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_553	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_553	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_553	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_553	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_553	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_553	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_553	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_553	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_553	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_553	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_553	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_553	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_553	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_553	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_553	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_553	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_553	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_553	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_553	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_553	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_553	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_553	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_553	O=C(OCC)c1ccccc1	C93890
PUBCHEM_553	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_553	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_553	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_553	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_553	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_553	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_553	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_553	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_553	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_553	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_553	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_553	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_553	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_553	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_553	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_553	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_553	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_553	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_553	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_553	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_553	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_553	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_553	O=CC=CC=CCCCCC	C25152845
PUBCHEM_553	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_553	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_553	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_553	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_553	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_553	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_553	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_553	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_553	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_553	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_553	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_553	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_553	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_553	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_553	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_553	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_553	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_553	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_553	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_553	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_553	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_553	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_553	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_553	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_553	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_553	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_553	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_553	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_553	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_553	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_553	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_553	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_553	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_553	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_553	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_553	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_553	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_553	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_553	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_553	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_553	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_553	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_553	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_553	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_553	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_553	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_553	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_553	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_553	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_553	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_553	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_553	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_553	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_553	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_553	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_553	O=C(OCCCCO)C=C	C2478106
PUBCHEM_553	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_553	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_553	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_553	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_553	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_553	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_553	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_553	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_553	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_553	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_553	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_553	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_553	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_553	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_553	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_553	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_553	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_553	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_553	CCCCCc1ccco1	C3777693
PUBCHEM_553	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_554	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_554	O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br	C126727
PUBCHEM_554	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_554	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_554	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_554	Brc1ccc(F)cc1	C460004
PUBCHEM_554	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_554	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_554	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_554	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_554	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_554	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_554	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_554	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_554	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_554	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_554	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_554	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_554	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_554	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_554	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_554	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_554	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_554	OCCCBr	C627189
PUBCHEM_554	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_554	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_554	Nc1ccc(Br)cc1	C106401
PUBCHEM_554	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_554	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_554	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_554	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_554	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_554	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_554	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_554	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_554	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_554	BrCCCCCCCCCCCC	C143157
PUBCHEM_554	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_554	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_555	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_555	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_555	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_555	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_555	c1cccc2[nH]ccc12	C120729
PUBCHEM_555	NC(=O)c1cccnc1	C98920
PUBCHEM_555	OC(=O)c1cccnc1	C59676
PUBCHEM_555	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_555	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_555	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_555	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_555	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_555	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_555	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_555	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_555	c1ccc2ncsc2c1	C95169
PUBCHEM_555	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_555	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_555	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_555	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_555	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_555	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_555	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_555	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_555	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_555	OCn1nc(C)cc1C	C85264331
PUBCHEM_555	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_555	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_555	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_555	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_555	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_555	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_555	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_555	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_555	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_555	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_555	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_555	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_555	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_555	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_555	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_555	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_555	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_555	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_555	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_555	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_555	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_555	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_555	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_555	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_555	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_555	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_555	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_555	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_555	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_555	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_555	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_555	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_555	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_555	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_555	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_555	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_555	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_555	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_555	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_555	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_555	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_555	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_555	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_555	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_555	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_555	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_555	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_555	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_555	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_555	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_555	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_555	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_555	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_555	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_555	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_555	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_555	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_555	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_555	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_555	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_555	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_555	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_555	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_555	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_555	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_555	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_555	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_555	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_555	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_555	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_555	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_555	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_555	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_555	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_555	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_555	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_555	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_555	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_555	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_555	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_555	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_555	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_555	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_555	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_555	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_555	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_555	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_555	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_555	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_555	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_555	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_555	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_555	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_555	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_555	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_555	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_555	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_555	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_555	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_555	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_555	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_555	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_555	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_555	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_555	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_555	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_555	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_555	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_555	Oc1cccc2cccnc12	C148243
PUBCHEM_555	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_555	O=C(c1ccncc1)NN	C54853
PUBCHEM_555	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_555	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_555	Cc1cc2cccnc2cc1	C91623
PUBCHEM_555	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_555	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_555	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_555	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_555	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_555	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_555	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_555	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_555	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_555	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_555	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_555	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_555	n1cccc2c1cccc2	C91225
PUBCHEM_555	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_555	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_555	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_555	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_555	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_555	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_555	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_555	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_555	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_555	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_555	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_555	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_555	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_555	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_555	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_555	N#Cc1cnccc1	C100549
PUBCHEM_555	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_555	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_555	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_555	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_555	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_555	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_555	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_555	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_555	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_555	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_555	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_555	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_555	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_555	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_555	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_555	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_555	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_555	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_555	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_555	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_555	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_555	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_555	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_555	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_555	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_555	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_555	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_555	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_555	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_555	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_555	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_555	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_555	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_555	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_555	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_555	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_555	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_555	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_555	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_555	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_555	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_555	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_555	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_555	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_555	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_555	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_555	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_555	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_555	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_555	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_555	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_555	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_555	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_555	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_555	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_555	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_555	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_555	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_555	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_555	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_555	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_555	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_555	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_555	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_555	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_555	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_555	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_555	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_555	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_555	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_555	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_555	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_555	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_555	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_555	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_555	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_555	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_555	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_555	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_555	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_555	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_555	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_555	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_555	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_555	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_555	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_555	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_555	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_555	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_555	n1cc(C)ccc1	C108996
PUBCHEM_555	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_555	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_555	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_555	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_555	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_555	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_555	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_555	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_555	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_555	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_555	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_555	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_555	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_555	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_555	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_555	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_555	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_555	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_555	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_555	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_555	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_555	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_555	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_555	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_555	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_555	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_555	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_555	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_555	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_555	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_555	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_555	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_555	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_555	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_555	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_555	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_555	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_555	Nc1cccc(C)n1	C1824813
PUBCHEM_555	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_555	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_555	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_556	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_556	Nc1ccccc1.Cl	C142041
PUBCHEM_556	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_556	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_556	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_556	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_556	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_556	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_556	CC(=O)OCc1ccccc1	C140114
PUBCHEM_556	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_556	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_556	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_556	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_556	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_556	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_556	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_556	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_556	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_556	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_556	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_556	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_556	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_556	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_556	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_556	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_556	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_556	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_556	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_556	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_556	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_556	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_556	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_556	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_556	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_556	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_556	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_556	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_556	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_556	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_556	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_556	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_556	c1cccc2[nH]ccc12	C120729
PUBCHEM_556	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_556	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_556	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_556	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_556	COc1ccc(cc1)O	C150765
PUBCHEM_556	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_556	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_556	C=Cc1ccc(cc1)C	C622979
PUBCHEM_556	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_556	NC(=O)c1cccnc1	C98920
PUBCHEM_556	OC(=O)c1cccnc1	C59676
PUBCHEM_556	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_556	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_556	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_556	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_556	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_556	Nc1ccc(cc1)N	C106503
PUBCHEM_556	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_556	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_556	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_556	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_556	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_556	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_556	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_556	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_556	Nc1ccccc1C.Cl	C636215
PUBCHEM_556	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_556	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_556	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_556	O=CCc1ccccc1	C122781
PUBCHEM_556	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_556	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_556	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_556	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_556	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_556	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_556	O=Cc1ccccc1O	C90028
PUBCHEM_556	Oc1cccc2ccccc12	C90153
PUBCHEM_556	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_556	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_556	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_556	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_556	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_556	Oc1ccc(Cl)cc1	C106489
PUBCHEM_556	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_556	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_556	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_556	Oc1ccc(CC)cc1	C123079
PUBCHEM_556	COc1ccc(OC)cc1	C150787
PUBCHEM_556	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_556	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_556	Oc1ccc(CCC)cc1	C645567
PUBCHEM_556	C=CC(Cl)CCl	C760236
PUBCHEM_556	CC/C=C\CCO	C928961
PUBCHEM_556	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_556	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_556	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_556	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_556	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_556	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_556	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_556	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_556	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_556	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_556	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_556	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_556	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_556	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_556	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_556	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_556	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_556	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_556	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_556	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_556	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_556	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_556	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_556	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_556	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_556	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_556	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_556	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_556	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_556	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_556	c1(c(CC)cccc1)O	C90006
PUBCHEM_556	c1c(O)cccc1CC	C620177
PUBCHEM_556	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_556	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_556	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_556	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_556	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_556	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_556	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_556	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_556	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_556	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_556	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_556	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_556	c1cccc(OC)c1O	C90051
PUBCHEM_556	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_556	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_556	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_556	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_556	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_556	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_556	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_556	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_556	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_556	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_556	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_556	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_556	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_556	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_556	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_556	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_556	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_556	Cc1cc(O)ccc1	C108394
PUBCHEM_556	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_556	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_556	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_556	c1ccc2ncsc2c1	C95169
PUBCHEM_556	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_556	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_556	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_556	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_556	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_556	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_556	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_556	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_556	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_556	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_556	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_556	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_556	Cc1c(C)cccc1O	C526750
PUBCHEM_556	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_556	C=Cc1ccccc1C=C	C1321740
PUBCHEM_556	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_556	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_556	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_556	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_556	CCC(=CCCC)C=O	C645625
PUBCHEM_556	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_556	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_556	c1c(CO)occ1	C98000
PUBCHEM_556	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_556	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_556	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_556	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_556	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_556	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_556	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_556	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_556	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_556	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_556	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_556	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_556	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_556	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_556	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_556	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_556	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_556	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_556	c12ccccc1CCCC2	C119642
PUBCHEM_556	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_556	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_556	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_556	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_556	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_556	Cc1cccc(C)c1	C108383
PUBCHEM_556	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_556	OCCc1ccccc1	C60128
PUBCHEM_556	O=C(O)c1ccccc1O	C69727
PUBCHEM_556	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_556	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_556	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_556	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_556	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_556	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_556	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_556	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_556	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_556	Sc1ccccc1	C108985
PUBCHEM_556	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_556	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_556	Oc1ccc2ccccc2c1	C135193
PUBCHEM_556	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_556	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_556	Brc1ccc(F)cc1	C460004
PUBCHEM_556	C1=CC=CC1	C542927
PUBCHEM_556	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_556	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_556	ClP(c1ccccc1)Cl	C644973
PUBCHEM_556	OC(C)COc1ccccc1	C770354
PUBCHEM_556	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_556	Nc1cccc(C)c1C	C1300738
PUBCHEM_556	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_556	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_556	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_556	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_556	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_556	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_556	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_556	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_556	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_556	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_556	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_556	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_556	Nc1c(C)cccc1CC	C24549062
PUBCHEM_556	Clc1cccc(C)c1	C25168052
PUBCHEM_556	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_556	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_556	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_556	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_556	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_556	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_556	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_556	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_556	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_556	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_556	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_556	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_556	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_556	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_556	O=C(C=C(C)C)C	C141797
PUBCHEM_556	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_556	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_556	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_556	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_556	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_556	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_556	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_556	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_556	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_556	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_556	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_556	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_556	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_556	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_556	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_556	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_556	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_556	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_556	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_556	OCn1nc(C)cc1C	C85264331
PUBCHEM_556	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_556	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_556	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_556	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_556	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_556	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_556	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_556	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_556	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_556	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_556	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_556	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_556	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_556	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_556	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_556	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_556	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_556	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_556	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_556	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_556	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_556	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_556	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_556	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_556	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_556	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_556	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_556	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_556	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_556	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_556	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_556	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_556	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_556	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_556	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_556	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_556	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_556	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_556	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_556	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_556	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_556	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_556	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_556	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_556	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_556	OC(CCCCC)C=C	C3391864
PUBCHEM_556	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_556	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_556	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_556	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_556	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_556	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_556	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_556	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_556	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_556	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_556	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_556	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_556	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_556	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_556	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_556	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_556	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_556	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_556	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_556	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_556	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_556	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_556	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_556	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_556	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_556	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_556	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_556	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_556	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_556	O=C(c1ccccc1O)C	C118934
PUBCHEM_556	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_556	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_556	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_556	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_556	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_556	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_556	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_556	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_556	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_556	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_556	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_556	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_556	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_556	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_556	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_556	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_556	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_556	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_556	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_556	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_556	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_556	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_556	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_556	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_556	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_556	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_556	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_556	Oc1ccccc1CN(C)C	C120650
PUBCHEM_556	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_556	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_556	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_556	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_556	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_556	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_556	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_556	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_556	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_556	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_556	O=C/C=C/CCC	C6728263
PUBCHEM_556	O1C=CCCC1	C110872
PUBCHEM_556	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_556	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_556	OCC=Cc1ccccc1	C104541
PUBCHEM_556	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_556	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_556	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_556	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_556	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_556	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_556	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_556	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_556	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_556	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_556	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_556	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_556	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_556	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_556	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_556	N#Cc1c(O)cccc1	C611201
PUBCHEM_556	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_556	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_556	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_556	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_556	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_556	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_556	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_556	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_556	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_556	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_556	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_556	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_556	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_556	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_556	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_556	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_556	c12ccccc1CC=C2	C95136
PUBCHEM_556	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_556	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_556	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_556	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_556	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_556	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_556	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_556	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_556	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_556	Oc1c(OCC)cccc1	C94713
PUBCHEM_556	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_556	COc1ccc(CCC)cc1	C104450
PUBCHEM_556	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_556	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_556	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_556	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_556	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_556	OC(CO)c1ccccc1	C93561
PUBCHEM_556	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_556	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_556	O=C(N)Nc1ccccc1	C64108
PUBCHEM_556	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_556	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_556	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_556	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_556	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_556	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_556	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_556	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_556	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_556	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_556	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_556	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_556	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_556	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_556	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_556	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_556	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_556	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_556	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_556	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_556	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_556	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_556	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_556	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_556	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_556	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_556	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_556	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_556	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_556	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_556	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_556	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_556	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_556	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_556	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_556	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_556	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_556	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_556	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_556	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_556	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_556	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_556	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_556	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_556	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_556	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_556	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_556	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_556	Sc1ccc(C)cc1	C106456
PUBCHEM_556	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_556	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_556	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_556	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_556	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_556	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_556	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_556	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_556	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_556	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_556	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_556	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_556	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_556	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_556	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_556	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_556	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_556	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_556	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_556	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_556	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_556	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_556	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_556	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_556	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_556	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_556	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_556	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_556	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_556	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_556	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_556	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_556	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_556	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_556	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_556	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_556	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_556	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_556	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_556	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_556	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_556	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_556	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_556	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_556	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_556	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_556	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_556	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_556	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_556	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_556	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_556	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_556	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_556	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_556	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_556	c1ccccc1OCCO	C122996
PUBCHEM_556	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_556	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_556	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_556	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_556	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_556	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_556	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_556	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_556	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_556	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_556	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_556	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_556	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_556	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_556	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_556	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_556	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_556	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_556	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_556	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_556	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_556	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_556	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_556	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_556	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_556	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_556	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_556	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_556	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_556	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_556	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_556	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_556	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_556	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_556	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_556	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_556	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_556	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_556	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_556	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_556	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_556	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_556	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_556	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_556	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_556	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_556	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_556	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_556	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_556	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_556	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_556	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_556	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_556	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_556	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_556	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_556	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_556	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_556	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_556	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_556	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_556	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_556	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_556	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_556	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_556	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_556	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_556	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_556	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_556	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_556	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_556	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_556	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_556	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_556	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_556	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_556	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_556	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_556	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_556	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_556	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_556	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_556	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_556	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_556	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_556	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_556	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_556	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_556	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_556	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_556	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_556	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_556	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_556	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_556	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_556	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_556	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_556	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_556	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_556	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_556	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_556	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_556	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_556	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_556	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_556	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_556	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_556	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_556	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_556	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_556	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_556	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_556	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_556	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_556	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_556	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_556	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_556	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_556	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_556	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_556	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_556	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_556	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_556	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_556	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_556	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_556	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_556	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_556	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_556	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_556	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_556	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_556	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_556	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_556	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_556	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_556	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_556	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_556	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_556	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_556	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_556	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_556	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_556	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_556	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_556	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_556	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_556	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_556	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_556	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_556	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_556	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_556	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_556	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_556	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_556	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_556	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_556	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_556	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_556	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_556	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_556	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_556	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_556	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_556	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_556	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_556	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_556	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_556	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_556	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_556	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_556	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_556	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_556	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_556	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_556	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_556	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_556	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_556	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_556	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_556	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_556	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_556	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_556	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_556	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_556	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_556	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_556	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_556	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_556	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_556	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_556	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_556	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_556	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_556	c1coc2c1cccc2	C271896
PUBCHEM_556	OC(=O)c1ccccc1	C65850
PUBCHEM_556	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_556	OCc1ccccc1	C100516
PUBCHEM_556	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_556	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_556	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_556	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_556	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_556	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_556	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_556	Oc1c(cccc1)O	C120809
PUBCHEM_556	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_556	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_556	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_556	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_556	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_556	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_556	O=C(c1ccccc1)CCl	C532274
PUBCHEM_556	Nc1ccc(cc1)Cl	C106478
PUBCHEM_556	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_556	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_556	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_556	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_556	Nc1cc(ccc1OC)C	C120718
PUBCHEM_556	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_556	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_556	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_556	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_556	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_556	Clc1c(cccc1)Cl	C95501
PUBCHEM_556	Clc1ccc(cc1)Cl	C106467
PUBCHEM_556	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_556	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_556	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_556	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_556	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_556	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_556	CN(c1ccccc1)C	C121697
PUBCHEM_556	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_556	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_556	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_556	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_556	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_556	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_556	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_556	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_556	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_556	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_556	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_556	O=Cc1ccco1	C98011
PUBCHEM_556	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_556	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_556	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_556	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_556	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_556	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_556	Oc1ccc(cc1)O	C123319
PUBCHEM_556	Oc1cccc2cccnc12	C148243
PUBCHEM_556	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_556	O=C(c1ccncc1)NN	C54853
PUBCHEM_556	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_556	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_556	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_556	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_556	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_556	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_556	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_556	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_556	Cc1cc2cccnc2cc1	C91623
PUBCHEM_556	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_556	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_556	c1c2c(ccc1)cccc2	C91203
PUBCHEM_556	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_556	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_556	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_556	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_556	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_556	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_556	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_556	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_556	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_556	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_556	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_556	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_556	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_556	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_556	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_556	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_556	Oc1ccccc1	C108952
PUBCHEM_556	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_556	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_556	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_556	Nc1cc(ccc1)N	C108452
PUBCHEM_556	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_556	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_556	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_556	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_556	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_556	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_556	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_556	Oc1cc(ccc1)O	C108463
PUBCHEM_556	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_556	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_556	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_556	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_556	C1C(c2ccccc2)O1	C96093
PUBCHEM_556	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_556	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_556	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_556	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_556	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_556	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_556	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_556	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_556	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_556	Oc1ccccc1Cl	C95578
PUBCHEM_556	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_556	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_556	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_556	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_556	n1cccc2c1cccc2	C91225
PUBCHEM_556	CCN(CC)c1ccccc1	C91667
PUBCHEM_556	Oc1c(C)cccc1	C95487
PUBCHEM_556	c1ccccc1C(=O)C	C98862
PUBCHEM_556	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_556	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_556	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_556	CCNc1cc(C)ccc1	C102272
PUBCHEM_556	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_556	Oc1ccc(C)cc1	C106445
PUBCHEM_556	Nc1ccc(C)cc1	C106490
PUBCHEM_556	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_556	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_556	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_556	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_556	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_556	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_556	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_556	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_556	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_556	Clc1cc(Cl)ccc1	C541731
PUBCHEM_556	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_556	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_556	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_556	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_556	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_556	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_556	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_556	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_556	c1(CCCC)ccccc1	C104518
PUBCHEM_556	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_556	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_556	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_556	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_556	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_556	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_556	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_556	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_556	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_556	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_556	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_556	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_556	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_556	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_556	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_556	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_556	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_556	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_556	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_556	Nc1c(OC)cccc1	C90040
PUBCHEM_556	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_556	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_556	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_556	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_556	Cc1ccccc1Cl	C95498
PUBCHEM_556	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_556	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_556	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_556	Oc1c(cccc1C)C	C576261
PUBCHEM_556	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_556	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_556	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_556	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_556	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_556	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_556	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_556	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_556	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_556	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_556	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_556	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_556	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_556	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_556	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_556	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_556	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_556	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_556	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_556	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_556	Cc1ccc(Cl)cc1	C106434
PUBCHEM_556	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_556	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_556	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_556	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_556	Nc1cc(C)ccc1N	C496720
PUBCHEM_556	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_556	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_556	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_556	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_556	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_556	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_556	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_556	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_556	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_556	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_556	N(c1ccccc1)CC	C103695
PUBCHEM_556	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_556	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_556	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_556	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_556	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_556	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_556	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_556	Nc1c(N)cccc1	C95545
PUBCHEM_556	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_556	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_556	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_556	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_556	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_556	Nc1c(cccc1)C	C95534
PUBCHEM_556	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_556	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_556	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_556	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_556	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_556	Nc1c(cccc1C)C	C87627
PUBCHEM_556	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_556	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_556	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_556	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_556	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_556	N#Cc1cnccc1	C100549
PUBCHEM_556	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_556	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_556	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_556	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_556	Nc1cccc(C)c1	C108441
PUBCHEM_556	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_556	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_556	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_556	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_556	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_556	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_556	Nc1c(CC)cccc1CC	C579668
PUBCHEM_556	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_556	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_556	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_556	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_556	Nc1cccc(C)c1N	C2687254
PUBCHEM_556	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_556	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_556	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_556	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_556	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_556	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_556	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_556	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_556	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_556	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_556	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_556	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_556	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_556	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_556	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_556	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_556	O=Cc1ccccc1C=O	C643798
PUBCHEM_556	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_556	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_556	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_556	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_556	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_556	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_556	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_556	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_556	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_556	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_556	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_556	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_556	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_556	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_556	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_556	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_556	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_556	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_556	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_556	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_556	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_556	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_556	CCCc1ccccc1	C103651
PUBCHEM_556	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_556	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_556	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_556	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_556	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_556	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_556	CC(C)(C)c1ccccc1	C98066
PUBCHEM_556	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_556	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_556	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_556	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_556	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_556	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_556	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_556	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_556	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_556	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_556	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_556	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_556	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_556	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_556	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_556	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_556	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_556	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_556	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_556	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_556	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_556	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_556	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_556	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_556	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_556	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_556	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_556	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_556	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_556	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_556	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_556	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_556	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_556	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_556	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_556	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_556	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_556	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_556	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_556	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_556	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_556	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_556	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_556	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_556	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_556	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_556	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_556	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_556	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_556	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_556	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_556	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_556	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_556	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_556	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_556	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_556	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_556	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_556	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_556	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_556	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_556	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_556	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_556	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_556	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_556	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_556	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_556	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_556	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_556	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_556	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_556	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_556	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_556	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_556	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_556	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_556	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_556	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_556	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_556	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_556	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_556	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_556	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_556	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_556	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_556	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_556	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_556	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_556	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_556	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_556	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_556	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_556	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_556	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_556	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_556	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_556	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_556	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_556	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_556	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_556	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_556	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_556	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_556	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_556	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_556	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_556	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_556	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_556	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_556	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_556	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_556	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_556	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_556	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_556	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_556	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_556	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_556	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_556	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_556	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_556	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_556	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_556	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_556	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_556	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_556	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_556	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_556	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_556	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_556	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_556	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_556	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_556	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_556	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_556	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_556	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_556	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_556	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_556	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_556	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_556	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_556	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_556	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_556	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_556	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_556	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_556	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_556	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_556	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_556	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_556	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_556	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_556	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_556	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_556	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_556	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_556	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_556	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_556	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_556	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_556	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_556	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_556	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_556	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_556	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_556	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_556	O=C(OCC)c1ccccc1	C93890
PUBCHEM_556	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_556	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_556	NCc1cccc(CN)c1	C1477550
PUBCHEM_556	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_556	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_556	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_556	n1cc(C)ccc1	C108996
PUBCHEM_556	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_556	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_556	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_556	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_556	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_556	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_556	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_556	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_556	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_556	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_556	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_556	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_556	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_556	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_556	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_556	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_556	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_556	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_556	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_556	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_556	NNc1ccccc1.Cl	C59881
PUBCHEM_556	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_556	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_556	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_556	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_556	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_556	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_556	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_556	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_556	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_556	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_556	N#Cc1ccccc1	C100470
PUBCHEM_556	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_556	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_556	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_556	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_556	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_556	Nc1ccc(Br)cc1	C106401
PUBCHEM_556	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_556	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_556	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_556	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_556	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_556	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_556	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_556	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_556	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_556	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_556	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_556	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_556	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_556	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_556	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_556	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_556	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_556	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_556	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_556	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_556	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_556	Nc1ccc(OC)cc1	C104949
PUBCHEM_556	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_556	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_556	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_556	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_556	O=CC=CC=CCCCCC	C25152845
PUBCHEM_556	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_556	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_556	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_556	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_556	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_556	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_556	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_556	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_556	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_556	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_556	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_556	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_556	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_556	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_556	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_556	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_556	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_556	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_556	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_556	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_556	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_556	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_556	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_556	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_556	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_556	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_556	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_556	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_556	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_556	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_556	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_556	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_556	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_556	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_556	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_556	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_556	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_556	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_556	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_556	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_556	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_556	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_556	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_556	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_556	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_556	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_556	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_556	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_556	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_556	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_556	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_556	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_556	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_556	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_556	O=CCCCCCCCCC=C	C112458
PUBCHEM_556	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_556	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_556	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_556	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_556	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_556	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_556	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_556	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_556	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_556	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_556	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_556	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_556	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_556	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_556	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_556	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_556	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_556	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_556	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_556	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_556	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_556	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_556	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_556	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_556	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_556	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_556	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_556	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_556	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_556	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_556	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_556	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_556	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_556	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_556	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_556	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_556	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_556	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_556	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_556	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_556	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_556	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_556	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_556	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_556	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_556	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_556	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_556	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_556	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_556	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_556	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_556	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_556	Cl[Hg]c1ccccc1	C100561
PUBCHEM_556	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_556	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_556	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_556	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_556	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_556	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_556	O=[As]c1ccccc1	C637036
PUBCHEM_556	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_556	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_556	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_556	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_556	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_556	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_556	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_556	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_556	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_556	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_556	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_556	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_556	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_556	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_556	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_556	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_556	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_556	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_556	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_556	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_556	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_556	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_556	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_556	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_556	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_556	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_556	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_556	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_556	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_556	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_556	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_556	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_556	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_556	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_556	Nc1cccc(C)n1	C1824813
PUBCHEM_556	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_556	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_556	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_556	CC1COc2ccccc2N1	C32329207
PUBCHEM_556	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_556	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_556	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_556	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_556	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_556	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_556	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_556	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_556	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_556	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_556	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_556	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_556	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_556	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_556	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_556	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_556	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_556	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_556	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_556	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_556	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_556	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_556	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_556	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_556	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_556	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_556	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_556	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_556	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_556	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_556	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_556	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_556	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_556	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_556	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_556	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_556	CCCCCc1ccco1	C3777693
PUBCHEM_556	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_558	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_558	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_558	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_558	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_558	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_558	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_558	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_558	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_558	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_558	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_558	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_558	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_558	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_558	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_558	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_558	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_558	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_558	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_558	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_558	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_558	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_558	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_558	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_558	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_558	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_558	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_558	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_558	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_558	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_558	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_558	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_558	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_558	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_558	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_558	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_558	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_558	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_558	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_558	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_558	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_558	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_558	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_558	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_558	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_558	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_558	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_558	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_558	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_558	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_558	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_558	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_558	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_558	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_558	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_558	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_558	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_558	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_558	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_558	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_558	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_558	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_558	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_558	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_558	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_558	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_558	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_558	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_558	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_558	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_558	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_558	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_558	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_558	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_558	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_558	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_558	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_558	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_558	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_558	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_558	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_558	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_558	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_558	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_558	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_558	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_558	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_558	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_558	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_558	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_558	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_558	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_558	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_558	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_558	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_558	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_558	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_558	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_558	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_558	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_558	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_558	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_558	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_558	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_558	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_558	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_558	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_558	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_560	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_560	c1(nc[nH]n1)N	C61825
PUBCHEM_560	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_560	NC(=N)NC#N	C461585
PUBCHEM_560	S=C(NCC)NCC	C105555
PUBCHEM_560	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_560	CN(C(=O)N)N=O	C684935
PUBCHEM_560	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_560	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_560	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_560	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_560	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_560	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_560	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_560	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_560	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_560	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_560	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_560	OCNC(=O)NCO	C140954
PUBCHEM_560	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_560	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_560	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_560	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_560	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_560	n1c[nH]cc1	C288324
PUBCHEM_560	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_560	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_560	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_560	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_560	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_560	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_560	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_560	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_560	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_560	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_560	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_560	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_560	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_560	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_560	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_560	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_560	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_560	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_560	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_560	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_560	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_560	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_560	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_560	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_560	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_560	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_560	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_560	S=C(NC)NC	C534134
PUBCHEM_560	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_560	O=C(N)Nc1ccccc1	C64108
PUBCHEM_560	NNC(=S)NC	C6610293
PUBCHEM_560	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_560	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_560	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_560	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_560	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_560	S=C1NCCN1	C96457
PUBCHEM_560	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_560	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_560	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_560	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_560	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_560	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_560	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_560	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_560	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_560	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_560	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_560	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_560	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_560	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_560	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_560	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_560	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_560	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_560	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_560	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_560	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_560	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_560	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_560	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_560	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_560	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_560	CN1CN(C)CSC1=S	C533744
PUBCHEM_560	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_560	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_560	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_560	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_560	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_560	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_560	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_560	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_560	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_560	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_560	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_560	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_560	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_560	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_560	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_560	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_560	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_560	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_560	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_560	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_560	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_560	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_560	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_560	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_560	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_560	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_560	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_560	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_560	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_560	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_560	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_560	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_560	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_560	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_560	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_560	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_560	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_560	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_560	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_560	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_560	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_560	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_560	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_560	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_560	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_560	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_560	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_560	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_560	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_560	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_560	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_560	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_560	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_560	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_560	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_560	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_560	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_560	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_560	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_560	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_560	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_560	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_560	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_560	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_560	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_560	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_560	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_560	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_560	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_560	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_560	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_560	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_560	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_560	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_560	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_560	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_560	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_560	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_560	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_560	[nH]1ncnc1	C288880
PUBCHEM_560	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_560	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_560	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_560	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_560	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_560	Nn1cnnc1	C584134
PUBCHEM_560	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_560	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_560	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_560	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_560	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_560	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_560	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_560	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_560	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_560	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_560	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_560	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_560	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_560	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_560	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_560	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_560	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_560	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_560	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_560	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_560	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_560	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_560	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_560	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_560	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_560	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_560	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_560	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_560	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_560	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_560	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_560	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_560	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_560	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_560	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_560	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_560	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_560	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_560	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_560	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_560	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_560	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_560	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_560	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_560	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_560	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_560	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_560	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_560	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_560	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_560	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_560	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_560	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_560	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_560	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_560	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_560	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_560	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_560	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_560	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_560	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_560	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_560	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_560	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_560	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_560	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_560	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_560	S=C(NCCCC)NCCCC	C109466
PUBCHEM_560	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_560	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_560	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_560	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_560	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_560	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_560	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_560	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_560	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_560	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_560	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_560	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_560	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_560	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_560	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_560	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_560	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_560	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_560	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_560	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_560	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_560	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_560	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_560	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_560	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_560	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_560	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_560	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_560	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_560	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_560	Nc1cccc(C)n1	C1824813
PUBCHEM_560	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_560	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_560	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_560	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_561	O=CCCl	C107200
PUBCHEM_561	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_561	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_561	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_561	O=C(CCl)[O-].[Na+]	C3926623
PUBCHEM_561	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_561	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_561	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_561	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_561	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_561	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_561	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_561	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_561	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_561	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_561	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_561	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_561	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_561	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_561	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_561	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_561	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_561	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_561	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_561	O=C(c1ccccc1)CCl	C532274
PUBCHEM_561	OC(=O)C(Cl)Cl	C79436
PUBCHEM_561	ClC(C(=O)O)(Cl)Cl	C76039
PUBCHEM_561	CC(Cl)(Cl)C(=O)O	C75990
PUBCHEM_561	O=C(C(Cl)(Cl)Cl)[O-].[Na+]	C650511
PUBCHEM_561	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_561	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_561	O=C(CCl)CCl	C534076
PUBCHEM_561	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_562	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_562	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_562	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_562	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_562	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_562	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_562	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_563	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_563	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_563	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_563	O=C1OCC(C)O1	C108327
PUBCHEM_563	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_563	OC(OCCCC)CC	C29387868
PUBCHEM_563	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_563	O=C1OCC(CC)O1	C4437858
PUBCHEM_563	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_563	CCOC(OCC)OCC	C122510
PUBCHEM_563	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_563	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_563	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_563	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_563	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_563	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_563	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_563	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_563	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_563	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_563	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_563	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_563	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_563	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_563	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_563	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_563	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_563	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_563	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_563	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_563	OC(OC(O)CC)CC	C25265718
PUBCHEM_563	OC(OCCCOC)CC	C34590948
PUBCHEM_563	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_563	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_563	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_563	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_563	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_563	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_563	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_563	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_563	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_563	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_563	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_563	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_563	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_563	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_563	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_563	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_563	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_563	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_563	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_563	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_563	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_563	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_564	Nc1ccccc1.Cl	C142041
PUBCHEM_564	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_564	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_564	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_564	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_564	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_564	CC(=O)OCc1ccccc1	C140114
PUBCHEM_564	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_564	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_564	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_564	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_564	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_564	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_564	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_564	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_564	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_564	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_564	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_564	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_564	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_564	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_564	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_564	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_564	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_564	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_564	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_564	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_564	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_564	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_564	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_564	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_564	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_564	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_564	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_564	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_564	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	C87683
PUBCHEM_564	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_564	c1cccc2[nH]ccc12	C120729
PUBCHEM_564	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_564	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_564	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_564	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_564	COc1ccc(cc1)O	C150765
PUBCHEM_564	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_564	C=Cc1ccc(cc1)C	C622979
PUBCHEM_564	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_564	NC(=O)c1cccnc1	C98920
PUBCHEM_564	OC(=O)c1cccnc1	C59676
PUBCHEM_564	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_564	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_564	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_564	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_564	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_564	Nc1ccc(cc1)N	C106503
PUBCHEM_564	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_564	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_564	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_564	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_564	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_564	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_564	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_564	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_564	Nc1ccccc1C.Cl	C636215
PUBCHEM_564	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_564	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_564	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_564	O=CCc1ccccc1	C122781
PUBCHEM_564	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_564	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_564	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_564	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_564	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_564	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_564	O=Cc1ccccc1O	C90028
PUBCHEM_564	Oc1cccc2ccccc12	C90153
PUBCHEM_564	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_564	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_564	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_564	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_564	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_564	Oc1ccc(Cl)cc1	C106489
PUBCHEM_564	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_564	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_564	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_564	Oc1ccc(CC)cc1	C123079
PUBCHEM_564	COc1ccc(OC)cc1	C150787
PUBCHEM_564	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_564	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_564	Oc1ccc(CCC)cc1	C645567
PUBCHEM_564	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_564	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_564	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_564	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_564	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_564	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_564	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_564	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_564	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_564	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_564	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_564	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_564	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_564	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_564	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_564	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_564	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_564	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_564	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_564	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_564	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_564	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_564	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_564	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_564	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_564	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_564	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_564	c1(c(CC)cccc1)O	C90006
PUBCHEM_564	c1c(O)cccc1CC	C620177
PUBCHEM_564	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_564	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_564	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_564	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_564	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_564	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_564	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_564	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_564	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_564	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_564	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_564	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_564	c1cccc(OC)c1O	C90051
PUBCHEM_564	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_564	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_564	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_564	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_564	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_564	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_564	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_564	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_564	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_564	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_564	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_564	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_564	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_564	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_564	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_564	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_564	Cc1cc(O)ccc1	C108394
PUBCHEM_564	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_564	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_564	c1ccc2ncsc2c1	C95169
PUBCHEM_564	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_564	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_564	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_564	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_564	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_564	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_564	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_564	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_564	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_564	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_564	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_564	Cc1c(C)cccc1O	C526750
PUBCHEM_564	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_564	C=Cc1ccccc1C=C	C1321740
PUBCHEM_564	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_564	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_564	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_564	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_564	c1c(CO)occ1	C98000
PUBCHEM_564	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_564	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_564	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_564	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_564	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_564	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_564	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_564	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_564	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_564	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_564	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_564	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_564	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_564	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_564	c12ccccc1CCCC2	C119642
PUBCHEM_564	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_564	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_564	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_564	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_564	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_564	Cc1cccc(C)c1	C108383
PUBCHEM_564	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_564	OCCc1ccccc1	C60128
PUBCHEM_564	O=C(O)c1ccccc1O	C69727
PUBCHEM_564	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_564	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_564	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_564	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_564	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_564	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_564	Sc1ccccc1	C108985
PUBCHEM_564	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_564	Oc1ccc2ccccc2c1	C135193
PUBCHEM_564	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_564	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_564	Brc1ccc(F)cc1	C460004
PUBCHEM_564	C1=CC=CC1	C542927
PUBCHEM_564	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_564	ClP(c1ccccc1)Cl	C644973
PUBCHEM_564	OC(C)COc1ccccc1	C770354
PUBCHEM_564	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_564	Nc1cccc(C)c1C	C1300738
PUBCHEM_564	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_564	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_564	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_564	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_564	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_564	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_564	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_564	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_564	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_564	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_564	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_564	Nc1c(C)cccc1CC	C24549062
PUBCHEM_564	Clc1cccc(C)c1	C25168052
PUBCHEM_564	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_564	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_564	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_564	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_564	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_564	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_564	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_564	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_564	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_564	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_564	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_564	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_564	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_564	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_564	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_564	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_564	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_564	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_564	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_564	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_564	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_564	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_564	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_564	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_564	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_564	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_564	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_564	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_564	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_564	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_564	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_564	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_564	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_564	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_564	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_564	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_564	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_564	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_564	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_564	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_564	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_564	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_564	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_564	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_564	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_564	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_564	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_564	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_564	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_564	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_564	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_564	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_564	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_564	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_564	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_564	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_564	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_564	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_564	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_564	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_564	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_564	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_564	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_564	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_564	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_564	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_564	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_564	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_564	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_564	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_564	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_564	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_564	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_564	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_564	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_564	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_564	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_564	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_564	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_564	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_564	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_564	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_564	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_564	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_564	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_564	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_564	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_564	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_564	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_564	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_564	O=C(c1ccccc1O)C	C118934
PUBCHEM_564	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_564	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_564	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_564	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_564	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_564	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_564	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_564	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_564	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_564	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_564	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_564	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_564	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_564	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_564	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_564	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_564	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_564	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_564	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_564	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_564	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_564	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_564	Oc1ccccc1CN(C)C	C120650
PUBCHEM_564	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_564	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_564	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_564	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_564	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_564	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_564	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_564	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_564	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_564	OCC=Cc1ccccc1	C104541
PUBCHEM_564	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_564	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_564	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_564	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_564	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_564	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_564	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_564	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_564	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_564	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_564	N#Cc1c(O)cccc1	C611201
PUBCHEM_564	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_564	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_564	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_564	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_564	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_564	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_564	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_564	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_564	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_564	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_564	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_564	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_564	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_564	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_564	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_564	c12ccccc1CC=C2	C95136
PUBCHEM_564	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_564	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_564	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_564	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_564	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_564	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_564	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_564	Oc1c(OCC)cccc1	C94713
PUBCHEM_564	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_564	COc1ccc(CCC)cc1	C104450
PUBCHEM_564	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_564	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_564	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_564	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_564	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_564	OC(CO)c1ccccc1	C93561
PUBCHEM_564	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_564	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_564	O=C(N)Nc1ccccc1	C64108
PUBCHEM_564	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_564	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_564	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_564	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_564	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_564	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_564	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_564	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_564	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_564	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_564	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_564	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_564	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_564	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_564	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_564	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_564	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_564	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_564	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_564	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_564	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_564	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_564	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_564	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_564	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_564	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_564	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_564	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_564	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_564	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_564	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_564	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_564	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_564	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_564	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_564	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_564	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_564	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_564	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_564	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_564	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_564	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_564	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_564	Sc1ccc(C)cc1	C106456
PUBCHEM_564	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_564	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_564	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_564	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_564	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_564	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_564	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_564	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_564	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_564	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_564	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_564	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_564	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_564	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_564	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_564	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_564	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_564	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_564	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_564	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_564	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_564	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_564	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_564	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_564	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_564	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_564	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_564	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_564	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_564	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_564	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_564	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_564	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_564	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_564	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_564	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_564	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_564	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_564	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_564	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_564	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_564	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_564	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_564	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_564	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_564	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_564	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_564	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_564	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_564	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_564	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_564	c1ccccc1OCCO	C122996
PUBCHEM_564	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_564	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_564	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_564	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_564	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_564	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_564	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_564	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_564	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_564	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_564	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_564	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_564	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_564	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_564	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_564	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_564	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_564	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_564	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_564	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_564	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_564	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_564	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_564	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_564	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_564	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_564	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_564	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_564	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_564	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_564	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_564	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_564	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_564	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_564	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_564	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_564	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_564	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_564	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_564	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_564	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_564	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_564	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_564	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_564	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_564	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_564	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_564	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_564	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_564	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_564	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_564	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_564	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_564	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_564	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_564	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_564	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_564	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_564	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_564	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_564	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_564	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_564	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_564	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_564	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_564	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_564	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_564	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_564	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_564	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_564	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_564	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_564	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_564	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_564	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_564	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_564	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_564	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_564	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_564	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_564	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_564	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_564	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_564	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_564	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_564	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_564	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_564	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_564	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_564	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_564	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_564	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_564	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_564	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_564	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_564	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_564	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_564	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_564	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_564	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_564	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_564	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_564	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_564	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_564	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_564	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_564	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_564	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_564	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_564	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_564	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_564	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_564	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_564	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_564	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_564	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_564	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_564	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_564	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_564	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_564	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_564	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_564	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_564	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_564	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_564	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_564	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_564	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_564	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_564	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_564	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_564	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_564	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_564	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_564	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_564	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_564	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_564	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_564	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_564	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_564	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_564	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_564	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_564	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_564	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_564	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_564	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_564	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_564	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_564	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_564	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_564	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_564	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_564	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_564	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_564	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_564	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_564	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_564	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_564	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_564	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_564	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_564	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_564	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_564	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_564	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_564	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_564	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_564	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_564	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_564	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_564	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_564	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_564	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_564	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_564	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_564	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_564	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_564	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_564	c1coc2c1cccc2	C271896
PUBCHEM_564	OC(=O)c1ccccc1	C65850
PUBCHEM_564	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_564	OCc1ccccc1	C100516
PUBCHEM_564	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_564	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_564	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_564	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_564	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_564	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_564	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_564	Oc1c(cccc1)O	C120809
PUBCHEM_564	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_564	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_564	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_564	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_564	O=C(c1ccccc1)CCl	C532274
PUBCHEM_564	Nc1ccc(cc1)Cl	C106478
PUBCHEM_564	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_564	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_564	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_564	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_564	Nc1cc(ccc1OC)C	C120718
PUBCHEM_564	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_564	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_564	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_564	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_564	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_564	Clc1c(cccc1)Cl	C95501
PUBCHEM_564	Clc1ccc(cc1)Cl	C106467
PUBCHEM_564	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_564	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_564	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_564	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_564	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_564	CN(c1ccccc1)C	C121697
PUBCHEM_564	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_564	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_564	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_564	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_564	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_564	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_564	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_564	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_564	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_564	O=Cc1ccco1	C98011
PUBCHEM_564	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_564	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_564	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_564	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_564	Oc1ccc(cc1)O	C123319
PUBCHEM_564	Oc1cccc2cccnc12	C148243
PUBCHEM_564	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_564	O=C(c1ccncc1)NN	C54853
PUBCHEM_564	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_564	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_564	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_564	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_564	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_564	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_564	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_564	Cc1cc2cccnc2cc1	C91623
PUBCHEM_564	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_564	c1c2c(ccc1)cccc2	C91203
PUBCHEM_564	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_564	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_564	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_564	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_564	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_564	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_564	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_564	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_564	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_564	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_564	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_564	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_564	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_564	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_564	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_564	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_564	Oc1ccccc1	C108952
PUBCHEM_564	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_564	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_564	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_564	Nc1cc(ccc1)N	C108452
PUBCHEM_564	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_564	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_564	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_564	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_564	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_564	Oc1cc(ccc1)O	C108463
PUBCHEM_564	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_564	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_564	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_564	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_564	OC(=O)C=CC=CC	C110441
PUBCHEM_564	C1C(c2ccccc2)O1	C96093
PUBCHEM_564	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_564	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_564	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_564	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_564	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_564	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_564	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_564	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_564	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_564	Oc1ccccc1Cl	C95578
PUBCHEM_564	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_564	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_564	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_564	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_564	n1cccc2c1cccc2	C91225
PUBCHEM_564	CCN(CC)c1ccccc1	C91667
PUBCHEM_564	Oc1c(C)cccc1	C95487
PUBCHEM_564	c1ccccc1C(=O)C	C98862
PUBCHEM_564	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_564	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_564	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_564	CCNc1cc(C)ccc1	C102272
PUBCHEM_564	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_564	Oc1ccc(C)cc1	C106445
PUBCHEM_564	Nc1ccc(C)cc1	C106490
PUBCHEM_564	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_564	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_564	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_564	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_564	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_564	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_564	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_564	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_564	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_564	Clc1cc(Cl)ccc1	C541731
PUBCHEM_564	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_564	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_564	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_564	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_564	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_564	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_564	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_564	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_564	c1(CCCC)ccccc1	C104518
PUBCHEM_564	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_564	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_564	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_564	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_564	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_564	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_564	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_564	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_564	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_564	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_564	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_564	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_564	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_564	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_564	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_564	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_564	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_564	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_564	Nc1c(OC)cccc1	C90040
PUBCHEM_564	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_564	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_564	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_564	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_564	Cc1ccccc1Cl	C95498
PUBCHEM_564	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_564	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_564	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_564	Oc1c(cccc1C)C	C576261
PUBCHEM_564	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_564	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_564	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_564	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_564	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_564	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_564	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_564	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_564	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_564	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_564	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_564	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_564	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_564	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_564	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_564	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_564	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_564	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_564	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_564	Cc1ccc(Cl)cc1	C106434
PUBCHEM_564	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_564	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_564	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_564	Nc1cc(C)ccc1N	C496720
PUBCHEM_564	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_564	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_564	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_564	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_564	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_564	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_564	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_564	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_564	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_564	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_564	N(c1ccccc1)CC	C103695
PUBCHEM_564	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_564	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_564	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_564	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_564	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_564	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_564	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_564	Nc1c(N)cccc1	C95545
PUBCHEM_564	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_564	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_564	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_564	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_564	Nc1c(cccc1)C	C95534
PUBCHEM_564	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_564	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_564	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_564	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_564	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_564	Nc1c(cccc1C)C	C87627
PUBCHEM_564	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_564	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_564	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_564	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_564	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_564	N#Cc1cnccc1	C100549
PUBCHEM_564	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_564	Nc1cccc(C)c1	C108441
PUBCHEM_564	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_564	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_564	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_564	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_564	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_564	Nc1c(CC)cccc1CC	C579668
PUBCHEM_564	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_564	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_564	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_564	Nc1cccc(C)c1N	C2687254
PUBCHEM_564	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_564	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_564	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_564	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_564	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_564	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_564	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_564	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_564	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_564	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_564	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_564	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_564	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_564	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_564	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_564	O=Cc1ccccc1C=O	C643798
PUBCHEM_564	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_564	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_564	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_564	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_564	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_564	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_564	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_564	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_564	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_564	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_564	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_564	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_564	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_564	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_564	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_564	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_564	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_564	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_564	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_564	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_564	CCCc1ccccc1	C103651
PUBCHEM_564	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_564	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_564	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_564	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_564	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_564	CC(C)(C)c1ccccc1	C98066
PUBCHEM_564	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_564	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_564	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_564	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_564	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_564	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_564	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_564	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_564	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_564	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_564	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_564	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_564	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_564	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_564	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_564	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_564	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_564	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_564	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_564	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_564	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_564	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_564	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_564	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_564	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_564	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_564	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_564	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_564	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_564	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_564	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_564	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_564	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_564	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_564	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_564	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_564	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_564	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_564	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_564	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_564	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_564	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_564	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_564	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_564	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_564	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_564	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_564	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_564	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_564	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_564	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_564	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_564	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_564	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_564	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_564	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_564	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_564	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_564	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_564	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_564	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_564	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_564	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_564	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_564	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_564	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_564	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_564	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_564	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_564	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_564	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_564	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_564	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_564	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_564	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_564	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_564	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_564	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_564	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_564	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_564	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_564	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_564	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_564	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_564	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_564	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_564	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_564	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_564	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_564	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_564	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_564	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_564	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_564	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_564	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_564	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_564	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_564	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_564	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_564	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_564	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_564	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_564	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_564	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_564	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_564	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_564	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_564	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_564	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_564	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_564	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_564	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_564	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_564	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_564	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_564	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_564	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_564	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_564	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_564	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_564	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_564	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_564	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_564	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_564	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_564	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_564	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_564	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_564	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_564	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_564	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_564	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_564	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_564	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_564	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_564	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_564	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_564	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_564	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_564	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_564	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_564	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_564	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_564	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_564	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_564	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_564	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_564	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_564	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_564	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_564	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_564	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_564	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_564	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_564	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_564	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_564	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_564	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_564	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_564	O=C(OCC)c1ccccc1	C93890
PUBCHEM_564	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_564	NCc1cccc(CN)c1	C1477550
PUBCHEM_564	n1cc(C)ccc1	C108996
PUBCHEM_564	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_564	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_564	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_564	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_564	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_564	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_564	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_564	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_564	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_564	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_564	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_564	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_564	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_564	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_564	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_564	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_564	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_564	NNc1ccccc1.Cl	C59881
PUBCHEM_564	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_564	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_564	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_564	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_564	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_564	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_564	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_564	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_564	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_564	N#Cc1ccccc1	C100470
PUBCHEM_564	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_564	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_564	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_564	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_564	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_564	Nc1ccc(Br)cc1	C106401
PUBCHEM_564	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_564	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_564	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_564	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_564	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_564	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_564	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_564	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_564	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_564	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_564	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_564	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_564	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_564	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_564	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_564	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_564	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_564	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_564	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_564	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_564	Nc1ccc(OC)cc1	C104949
PUBCHEM_564	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_564	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_564	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_564	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_564	O=CC=CC=CCCCCC	C25152845
PUBCHEM_564	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_564	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_564	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_564	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_564	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_564	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_564	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_564	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_564	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_564	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_564	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_564	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_564	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_564	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_564	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_564	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_564	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_564	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_564	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_564	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_564	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_564	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_564	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_564	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_564	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_564	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_564	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_564	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_564	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_564	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_564	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_564	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_564	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_564	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_564	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_564	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_564	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_564	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_564	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_564	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_564	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_564	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_564	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_564	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_564	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_564	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_564	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_564	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_564	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_564	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_564	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_564	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_564	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_564	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_564	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_564	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_564	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_564	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_564	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_564	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_564	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_564	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_564	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_564	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_564	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_564	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_564	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_564	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_564	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_564	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_564	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_564	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_564	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_564	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_564	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_564	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_564	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_564	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_564	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_564	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_564	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_564	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_564	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_564	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_564	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_564	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_564	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_564	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_564	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_564	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_564	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_564	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_564	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_564	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_564	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_564	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_564	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_564	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_564	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_564	Cl[Hg]c1ccccc1	C100561
PUBCHEM_564	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_564	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_564	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_564	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_564	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_564	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_564	O=[As]c1ccccc1	C637036
PUBCHEM_564	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_564	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_564	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_564	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_564	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_564	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_564	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_564	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_564	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_564	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_564	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_564	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_564	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_564	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_564	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_564	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_564	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_564	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_564	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_564	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_564	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_564	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_564	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_564	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_564	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_564	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_564	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_564	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_564	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_564	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_564	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_564	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_564	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_564	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_564	Nc1cccc(C)n1	C1824813
PUBCHEM_564	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_564	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_564	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_564	CC1COc2ccccc2N1	C32329207
PUBCHEM_564	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_564	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_564	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_564	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_564	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_564	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_564	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_564	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_564	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_564	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_564	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_564	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_564	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_564	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_564	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_564	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_564	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_564	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_564	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_564	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_564	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_564	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_564	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_564	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_564	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_564	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_564	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_564	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_564	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_564	CCCCCc1ccco1	C3777693
PUBCHEM_564	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_565	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_565	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_565	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_565	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_565	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_565	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_565	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_565	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_565	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_565	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_565	COc1ccc(cc1)O	C150765
PUBCHEM_565	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_565	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_565	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_565	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_565	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_565	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_565	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_565	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_565	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_565	COc1ccc(OC)cc1	C150787
PUBCHEM_565	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_565	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_565	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_565	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_565	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_565	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_565	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_565	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_565	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_565	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_565	c1cccc(OC)c1O	C90051
PUBCHEM_565	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_565	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_565	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_565	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_565	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_565	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_565	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_565	c1c(CO)occ1	C98000
PUBCHEM_565	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_565	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_565	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_565	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_565	OC(C)COc1ccccc1	C770354
PUBCHEM_565	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_565	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_565	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_565	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_565	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_565	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_565	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_565	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_565	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_565	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_565	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_565	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_565	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_565	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_565	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_565	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_565	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_565	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_565	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_565	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_565	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_565	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_565	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_565	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_565	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_565	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_565	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_565	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_565	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_565	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_565	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_565	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_565	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_565	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_565	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_565	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_565	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_565	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_565	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_565	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_565	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_565	Oc1c(OCC)cccc1	C94713
PUBCHEM_565	COc1ccc(CCC)cc1	C104450
PUBCHEM_565	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_565	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_565	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_565	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_565	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_565	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_565	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_565	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_565	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_565	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_565	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_565	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_565	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_565	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_565	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_565	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_565	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_565	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_565	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_565	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_565	c1ccccc1OCCO	C122996
PUBCHEM_565	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_565	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_565	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_565	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_565	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_565	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_565	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_565	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_565	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_565	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_565	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_565	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_565	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_565	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_565	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_565	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_565	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_565	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_565	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_565	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_565	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_565	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_565	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_565	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_565	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_565	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_565	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_565	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_565	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_565	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_565	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_565	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_565	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_565	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_565	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_565	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_565	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_565	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_565	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_565	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_565	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_565	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_565	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_565	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_565	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_565	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_565	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_565	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_565	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_565	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_565	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_565	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_565	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_565	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_565	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_565	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_565	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_565	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_565	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_565	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_565	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_565	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_565	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_565	c1coc2c1cccc2	C271896
PUBCHEM_565	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_565	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_565	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_565	Nc1cc(ccc1OC)C	C120718
PUBCHEM_565	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_565	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_565	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_565	O=Cc1ccco1	C98011
PUBCHEM_565	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_565	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_565	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_565	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_565	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_565	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_565	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_565	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_565	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_565	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_565	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_565	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_565	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_565	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_565	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_565	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_565	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_565	Nc1c(OC)cccc1	C90040
PUBCHEM_565	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_565	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_565	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_565	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_565	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_565	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_565	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_565	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_565	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_565	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_565	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_565	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_565	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_565	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_565	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_565	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_565	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_565	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_565	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_565	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_565	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_565	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_565	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_565	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_565	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_565	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_565	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_565	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_565	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_565	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_565	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_565	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_565	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_565	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_565	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_565	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_565	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_565	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_565	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_565	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_565	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_565	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_565	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_565	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_565	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_565	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_565	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_565	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_565	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_565	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_565	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_565	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_565	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_565	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_565	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_565	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_565	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_565	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_565	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_565	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_565	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_565	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_565	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_565	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_565	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_565	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_565	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_565	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_565	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_565	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_565	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_565	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_565	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_565	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_565	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_565	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_565	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_565	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_565	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_565	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_565	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_565	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_565	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_565	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_565	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_565	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_565	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_565	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_565	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_565	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_565	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_565	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_565	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_565	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_565	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_565	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_565	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_565	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_565	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_565	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_565	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_565	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_565	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_565	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_565	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_565	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_565	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_565	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_565	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_565	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_565	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_565	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_565	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_565	Nc1ccc(OC)cc1	C104949
PUBCHEM_565	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_565	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_565	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_565	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_565	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_565	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_565	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_565	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_565	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_565	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_565	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_565	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_565	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_565	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_565	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_565	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_565	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_565	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_565	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_565	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_565	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_565	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_565	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_565	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_565	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_565	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_565	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_565	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_565	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_565	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_565	CC1COc2ccccc2N1	C32329207
PUBCHEM_565	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_565	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_565	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_565	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_565	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_565	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_565	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_565	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_565	CCCCCc1ccco1	C3777693
PUBCHEM_566	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_566	CC(CNCC(C)O)O	C110974
PUBCHEM_566	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_566	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_566	CN(CCO)C	C108010
PUBCHEM_566	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_566	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_566	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_566	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_566	OC(C)CN	C78966
PUBCHEM_566	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_566	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_566	OCCN1CCNCC1	C103764
PUBCHEM_566	CCNCCO	C110736
PUBCHEM_566	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_566	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_566	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_566	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_566	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_566	NC(CO)(CO)CO	C77861
PUBCHEM_566	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_566	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_566	C1COCCN1	C110918
PUBCHEM_566	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_566	OCC(N)(C)C	C124685
PUBCHEM_566	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_566	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_566	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_566	CN1CCOCC1	C109024
PUBCHEM_566	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_566	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_566	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_566	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_566	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_566	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_566	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_566	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_566	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_566	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_566	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_566	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_566	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_566	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_566	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_566	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_566	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_566	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_566	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_566	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_566	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_566	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_566	NCCCN1CCOCC1	C123002
PUBCHEM_566	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_566	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_566	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_566	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_566	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_566	OCCN(CC)CCO	C139877
PUBCHEM_566	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_566	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_566	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_566	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_566	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_566	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_566	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_566	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_566	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_566	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_566	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_566	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_566	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_566	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_566	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_566	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_566	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_566	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_566	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_566	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_566	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_566	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_566	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_566	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_566	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_566	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_566	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_566	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_566	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_566	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_566	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_566	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_566	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_566	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_566	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_566	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_566	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_566	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_566	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_566	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_566	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_566	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_566	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_566	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_566	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_566	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_566	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_566	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_566	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_566	Nc1cc(ccc1OC)C	C120718
PUBCHEM_566	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_566	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_566	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_566	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_566	Oc1cccc2cccnc12	C148243
PUBCHEM_566	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_566	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_566	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_566	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_566	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_566	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_566	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_566	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_566	OCCN(CCO)CCO	C102716
PUBCHEM_566	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_566	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_566	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_566	CCN(CCO)CC	C100378
PUBCHEM_566	OCCNCCO	C111422
PUBCHEM_566	OCCN	C141435
PUBCHEM_566	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_566	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_566	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_566	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_566	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_566	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_566	Nc1c(OC)cccc1	C90040
PUBCHEM_566	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_566	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_566	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_566	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_566	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_566	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_566	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_566	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_566	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_566	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_566	CCC12N(COC1)COC2	C7747355
PUBCHEM_566	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_566	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_566	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_566	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_566	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_566	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_566	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_566	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_566	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_566	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_566	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_566	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_566	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_566	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_566	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_566	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_566	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_566	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_566	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_566	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_566	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_566	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_566	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_566	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_566	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_566	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_566	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_566	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_566	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_566	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_566	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_566	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_566	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_566	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_566	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_566	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_566	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_566	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_566	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_566	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_566	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_566	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_566	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_566	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_566	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_566	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_566	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_566	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_566	NCCOCCOCCN	C929599
PUBCHEM_566	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_566	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_566	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_566	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_566	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_566	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_566	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_566	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_566	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_566	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_566	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_566	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_566	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_566	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_566	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_566	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_566	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_566	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_566	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_566	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_566	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_566	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_566	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_566	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_566	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_566	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_566	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_566	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_566	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_566	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_566	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_566	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_566	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_566	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_566	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_566	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_566	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_566	CC1COc2ccccc2N1	C32329207
PUBCHEM_566	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_566	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_566	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_566	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_566	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_566	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_566	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_566	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_566	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_566	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_567	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_567	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_567	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_567	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_567	OC(CO)CCl	C96242
PUBCHEM_567	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_567	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_567	OCCOCCOCCOCCCC	C143226
PUBCHEM_567	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_567	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_567	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_567	C=CC(=O)OCCO	C818611
PUBCHEM_567	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_567	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_567	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_567	c1cccc(OC)c1O	C90051
PUBCHEM_567	C(=O)(O)C(C)O	C50215
PUBCHEM_567	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_567	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_567	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_567	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_567	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_567	CC(O)COC	C107982
PUBCHEM_567	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_567	C(OCCCC)C1CO1	C2426086
PUBCHEM_567	c1c(CO)occ1	C98000
PUBCHEM_567	C(=O)(O)CO	C79141
PUBCHEM_567	C(=O)(O)C(=O)O	C144627
PUBCHEM_567	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_567	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_567	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_567	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_567	O=C1OCC(C)O1	C108327
PUBCHEM_567	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_567	O=C(C)OCCOCCCC	C112072
PUBCHEM_567	OCCOCCOCCOC	C112356
PUBCHEM_567	OCCOCCOCCOCCO	C112607
PUBCHEM_567	OC(C)COc1ccccc1	C770354
PUBCHEM_567	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_567	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_567	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_567	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_567	OCCOCCC	C2807309
PUBCHEM_567	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_567	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_567	CC(CO)O	C25322694
PUBCHEM_567	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_567	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_567	OCC1OCCC1	C97994
PUBCHEM_567	OC(C)COCCC	C1569013
PUBCHEM_567	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_567	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_567	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_567	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_567	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_567	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_567	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_567	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_567	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_567	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_567	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_567	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_567	O=C1OCC(CC)O1	C4437858
PUBCHEM_567	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_567	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_567	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_567	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_567	CC(O)COCC	C1569024
PUBCHEM_567	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_567	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_567	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_567	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_567	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_567	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_567	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_567	OCCOCC(CC)CCCC	C1559359
PUBCHEM_567	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_567	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_567	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_567	OC(C)C(=O)OCCCC	C138227
PUBCHEM_567	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_567	Oc1c(OCC)cccc1	C94713
PUBCHEM_567	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_567	OC(CO)c1ccccc1	C93561
PUBCHEM_567	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_567	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_567	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_567	OCCOCC(C)OCCO	C9003116
PUBCHEM_567	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_567	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_567	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_567	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_567	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_567	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_567	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_567	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_567	c1ccccc1OCCO	C122996
PUBCHEM_567	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_567	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_567	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_567	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_567	OCCOC	C109864
PUBCHEM_567	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_567	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_567	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_567	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_567	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_567	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_567	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_567	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_567	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_567	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_567	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_567	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_567	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_567	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_567	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_567	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_567	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_567	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_567	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_567	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_567	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_567	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_567	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_567	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_567	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_567	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_567	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_567	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_567	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_567	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_567	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_567	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_567	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_567	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_567	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_567	Oc1c(cccc1)O	C120809
PUBCHEM_567	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_567	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_567	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_567	OCCOCCO	C111466
PUBCHEM_567	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_567	C(CO)O	C107211
PUBCHEM_567	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_567	OCC(O)CO	C56815
PUBCHEM_567	OCC1CO1	C556525
PUBCHEM_567	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_567	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_567	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_567	CC(CO)O	C57556
PUBCHEM_567	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_567	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_567	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_567	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_567	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_567	OCCOCCOCCO	C112276
PUBCHEM_567	CCCCOCCOCCO	C112345
PUBCHEM_567	CC(=O)OCCOCC	C111159
PUBCHEM_567	CCOCCOCCO	C111900
PUBCHEM_567	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_567	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_567	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_567	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_567	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_567	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_567	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_567	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_567	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_567	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_567	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_567	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_567	CCOCCO	C110805
PUBCHEM_567	CCCCOCCO	C111762
PUBCHEM_567	OCCOCCOCCOCC	C112505
PUBCHEM_567	O(CCOC)CCOC	C111966
PUBCHEM_567	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_567	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_567	O(CCOC)CCO	C111773
PUBCHEM_567	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_567	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_567	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_567	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_567	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_567	C(OCCOC)COCCOC	C112492
PUBCHEM_567	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_567	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_567	OCCOCCCCCC	C112254
PUBCHEM_567	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_567	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_567	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_567	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_567	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_567	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_567	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_567	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_567	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_567	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_567	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_567	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_567	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_567	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_567	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_567	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_567	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_567	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_567	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_567	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_567	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_567	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_567	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_567	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_567	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_567	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_567	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_567	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_567	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_567	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_567	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_567	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_567	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_567	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_567	NCCOCCOCCN	C929599
PUBCHEM_567	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_567	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_567	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_567	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_567	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_567	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_567	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_567	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_567	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_567	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_567	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_567	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_567	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_567	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_567	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_567	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_567	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_567	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_567	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_567	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_567	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_567	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_567	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_567	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_567	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_567	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_567	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_567	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_567	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_567	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_567	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_567	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_567	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_567	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_567	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_567	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_567	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_568	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_568	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_568	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_568	N#CCC#N	C109773
PUBCHEM_568	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_568	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_568	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_568	CC(=C)C#N	C126987
PUBCHEM_568	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_568	C(C)(C)(O)C#N	C75865
PUBCHEM_568	N#CC(CCC#N)C	C4553622
PUBCHEM_568	N#CC(C)C	C78820
PUBCHEM_568	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_568	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_568	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_568	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_568	N#Cc1c(O)cccc1	C611201
PUBCHEM_568	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_568	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_568	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_568	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_568	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_568	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_568	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_568	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_568	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_568	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_568	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_568	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_568	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_568	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_568	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_568	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_568	N#CCCCCC#N	C111693
PUBCHEM_568	N#Cc1cnccc1	C100549
PUBCHEM_568	N#CC(Br)(C(=O)N)Br	C10222012
PUBCHEM_568	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_568	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_568	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_568	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_568	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_568	N#Cc1ccccc1	C100470
PUBCHEM_568	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_568	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_568	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_568	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_568	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_568	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_568	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_568	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_568	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_568	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_569	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_569	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_569	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_569	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_569	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_569	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_569	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_569	OCCN1CCNCC1	C103764
PUBCHEM_569	NCCN1CCNCC1	C140318
PUBCHEM_569	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_569	N(CCN)CCN	C111400
PUBCHEM_569	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_569	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_569	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_569	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_569	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_569	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_569	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_569	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_569	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_569	n1c[nH]cc1	C288324
PUBCHEM_569	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_569	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_569	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_569	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_569	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_569	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_569	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_569	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_569	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_569	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_569	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_569	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_569	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_569	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_569	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_569	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_569	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_569	NCCN.I.I	C5700492
PUBCHEM_569	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_569	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_569	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_569	S=C1NCCN1	C96457
PUBCHEM_569	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_569	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_569	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_569	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_569	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_569	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_569	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_569	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_569	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_569	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_569	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_569	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_569	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_569	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_569	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_569	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_569	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_569	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_569	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_569	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_569	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_569	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_569	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_569	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_569	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_569	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_569	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_569	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_569	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_569	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_569	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_569	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_569	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_569	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_569	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_569	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_569	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_569	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_569	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_569	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_569	C1CNCCN1	C110850
PUBCHEM_569	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_569	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_569	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_569	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_569	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_569	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_569	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_569	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_569	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_569	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_569	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_569	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_569	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_569	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_569	Nc1cc(C)ccc1N	C496720
PUBCHEM_569	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_569	Nc1c(N)cccc1	C95545
PUBCHEM_569	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_569	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_569	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_569	Nc1cccc(C)c1N	C2687254
PUBCHEM_569	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_569	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_569	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_569	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_569	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_569	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_569	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_569	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_569	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_569	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_569	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_569	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_569	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_569	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_569	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_569	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_569	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_569	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_569	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_569	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_569	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_569	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_569	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_569	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_569	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_569	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_569	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_569	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_569	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_569	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_569	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_569	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_569	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_569	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_569	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_569	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_569	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_569	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_569	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_569	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_569	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_569	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_569	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_569	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_569	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_569	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_569	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_569	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_569	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_569	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_569	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_569	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_569	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_569	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_569	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_569	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_569	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_569	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_569	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_569	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_569	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_569	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_569	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_569	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_569	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_569	N(CCN(C)C)(C)C	C110189
PUBCHEM_569	NCCN	C107153
PUBCHEM_569	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_569	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_569	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_569	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_569	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_569	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_569	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_569	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_569	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_569	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_569	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_569	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_569	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_569	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_569	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_569	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_569	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_569	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_569	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_569	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_569	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_569	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_569	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_569	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_569	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_570	Nc1ccccc1.Cl	C142041
PUBCHEM_570	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_570	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_570	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_570	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_570	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_570	CC(=O)OCc1ccccc1	C140114
PUBCHEM_570	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_570	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_570	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_570	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_570	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_570	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_570	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_570	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_570	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_570	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_570	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_570	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_570	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_570	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_570	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_570	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_570	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_570	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_570	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_570	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_570	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_570	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_570	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_570	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_570	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_570	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_570	c1cccc2[nH]ccc12	C120729
PUBCHEM_570	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_570	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_570	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_570	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_570	COc1ccc(cc1)O	C150765
PUBCHEM_570	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_570	C=Cc1ccc(cc1)C	C622979
PUBCHEM_570	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_570	NC(=O)c1cccnc1	C98920
PUBCHEM_570	OC(=O)c1cccnc1	C59676
PUBCHEM_570	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_570	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_570	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_570	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_570	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_570	Nc1ccc(cc1)N	C106503
PUBCHEM_570	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_570	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_570	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_570	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_570	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_570	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_570	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_570	Nc1ccccc1C.Cl	C636215
PUBCHEM_570	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_570	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_570	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_570	O=CCc1ccccc1	C122781
PUBCHEM_570	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_570	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_570	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_570	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_570	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_570	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_570	O=Cc1ccccc1O	C90028
PUBCHEM_570	Oc1cccc2ccccc12	C90153
PUBCHEM_570	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_570	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_570	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_570	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_570	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_570	Oc1ccc(Cl)cc1	C106489
PUBCHEM_570	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_570	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_570	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_570	Oc1ccc(CC)cc1	C123079
PUBCHEM_570	COc1ccc(OC)cc1	C150787
PUBCHEM_570	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_570	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_570	Oc1ccc(CCC)cc1	C645567
PUBCHEM_570	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_570	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_570	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_570	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_570	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_570	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_570	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_570	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_570	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_570	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_570	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_570	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_570	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_570	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_570	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_570	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_570	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_570	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_570	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_570	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_570	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_570	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_570	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_570	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_570	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_570	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_570	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_570	c1(c(CC)cccc1)O	C90006
PUBCHEM_570	c1c(O)cccc1CC	C620177
PUBCHEM_570	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_570	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_570	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_570	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_570	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_570	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_570	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_570	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_570	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_570	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_570	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_570	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_570	c1cccc(OC)c1O	C90051
PUBCHEM_570	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_570	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_570	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_570	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_570	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_570	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_570	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_570	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_570	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_570	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_570	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_570	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_570	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_570	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_570	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_570	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_570	Cc1cc(O)ccc1	C108394
PUBCHEM_570	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_570	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_570	c1ccc2ncsc2c1	C95169
PUBCHEM_570	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_570	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_570	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_570	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_570	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_570	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_570	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_570	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_570	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_570	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_570	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_570	Cc1c(C)cccc1O	C526750
PUBCHEM_570	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_570	C=Cc1ccccc1C=C	C1321740
PUBCHEM_570	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_570	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_570	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_570	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_570	c1c(CO)occ1	C98000
PUBCHEM_570	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_570	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_570	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_570	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_570	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_570	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_570	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_570	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_570	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_570	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_570	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_570	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_570	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_570	c12ccccc1CCCC2	C119642
PUBCHEM_570	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_570	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_570	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_570	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_570	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_570	Cc1cccc(C)c1	C108383
PUBCHEM_570	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_570	OCCc1ccccc1	C60128
PUBCHEM_570	O=C(O)c1ccccc1O	C69727
PUBCHEM_570	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_570	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_570	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_570	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_570	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_570	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_570	Sc1ccccc1	C108985
PUBCHEM_570	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_570	Oc1ccc2ccccc2c1	C135193
PUBCHEM_570	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_570	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_570	Brc1ccc(F)cc1	C460004
PUBCHEM_570	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_570	ClP(c1ccccc1)Cl	C644973
PUBCHEM_570	OC(C)COc1ccccc1	C770354
PUBCHEM_570	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_570	Nc1cccc(C)c1C	C1300738
PUBCHEM_570	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_570	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_570	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_570	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_570	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_570	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_570	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_570	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_570	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_570	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_570	Nc1c(C)cccc1CC	C24549062
PUBCHEM_570	Clc1cccc(C)c1	C25168052
PUBCHEM_570	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_570	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_570	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_570	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_570	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_570	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_570	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_570	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_570	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_570	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_570	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_570	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_570	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_570	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_570	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_570	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_570	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_570	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_570	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_570	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_570	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_570	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_570	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_570	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_570	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_570	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_570	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_570	OCn1nc(C)cc1C	C85264331
PUBCHEM_570	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_570	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_570	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_570	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_570	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_570	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_570	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_570	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_570	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_570	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_570	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_570	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_570	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_570	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_570	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_570	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_570	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_570	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_570	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_570	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_570	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_570	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_570	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_570	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_570	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_570	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_570	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_570	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_570	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_570	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_570	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_570	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_570	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_570	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_570	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_570	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_570	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_570	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_570	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_570	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_570	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_570	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_570	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_570	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_570	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_570	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_570	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_570	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_570	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_570	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_570	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_570	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_570	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_570	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_570	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_570	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_570	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_570	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_570	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_570	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_570	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_570	O=C(c1ccccc1O)C	C118934
PUBCHEM_570	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_570	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_570	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_570	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_570	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_570	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_570	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_570	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_570	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_570	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_570	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_570	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_570	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_570	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_570	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_570	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_570	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_570	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_570	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_570	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_570	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_570	Oc1ccccc1CN(C)C	C120650
PUBCHEM_570	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_570	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_570	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_570	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_570	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_570	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_570	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_570	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_570	OCC=Cc1ccccc1	C104541
PUBCHEM_570	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_570	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_570	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_570	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_570	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_570	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_570	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_570	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_570	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_570	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_570	N#Cc1c(O)cccc1	C611201
PUBCHEM_570	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_570	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_570	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_570	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_570	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_570	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_570	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_570	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_570	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_570	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_570	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_570	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_570	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_570	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_570	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_570	c12ccccc1CC=C2	C95136
PUBCHEM_570	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_570	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_570	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_570	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_570	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_570	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_570	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_570	Oc1c(OCC)cccc1	C94713
PUBCHEM_570	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_570	COc1ccc(CCC)cc1	C104450
PUBCHEM_570	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_570	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_570	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_570	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_570	OC(CO)c1ccccc1	C93561
PUBCHEM_570	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_570	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_570	O=C(N)Nc1ccccc1	C64108
PUBCHEM_570	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_570	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_570	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_570	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_570	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_570	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_570	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_570	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_570	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_570	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_570	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_570	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_570	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_570	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_570	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_570	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_570	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_570	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_570	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_570	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_570	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_570	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_570	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_570	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_570	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_570	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_570	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_570	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_570	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_570	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_570	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_570	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_570	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_570	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_570	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_570	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_570	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_570	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_570	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_570	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_570	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_570	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_570	Sc1ccc(C)cc1	C106456
PUBCHEM_570	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_570	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_570	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_570	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_570	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_570	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_570	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_570	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_570	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_570	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_570	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_570	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_570	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_570	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_570	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_570	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_570	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_570	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_570	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_570	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_570	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_570	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_570	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_570	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_570	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_570	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_570	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_570	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_570	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_570	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_570	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_570	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_570	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_570	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_570	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_570	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_570	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_570	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_570	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_570	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_570	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_570	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_570	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_570	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_570	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_570	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_570	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_570	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_570	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_570	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_570	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_570	c1ccccc1OCCO	C122996
PUBCHEM_570	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_570	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_570	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_570	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_570	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_570	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_570	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_570	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_570	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_570	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_570	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_570	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_570	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_570	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_570	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_570	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_570	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_570	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_570	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_570	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_570	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_570	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_570	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_570	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_570	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_570	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_570	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_570	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_570	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_570	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_570	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_570	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_570	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_570	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_570	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_570	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_570	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_570	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_570	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_570	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_570	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_570	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_570	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_570	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_570	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_570	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_570	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_570	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_570	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_570	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_570	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_570	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_570	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_570	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_570	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_570	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_570	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_570	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_570	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_570	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_570	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_570	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_570	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_570	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_570	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_570	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_570	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_570	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_570	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_570	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_570	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_570	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_570	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_570	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_570	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_570	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_570	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_570	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_570	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_570	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_570	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_570	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_570	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_570	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_570	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_570	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_570	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_570	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_570	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_570	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_570	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_570	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_570	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_570	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_570	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_570	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_570	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_570	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_570	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_570	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_570	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_570	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_570	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_570	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_570	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_570	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_570	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_570	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_570	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_570	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_570	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_570	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_570	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_570	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_570	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_570	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_570	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_570	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_570	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_570	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_570	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_570	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_570	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_570	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_570	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_570	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_570	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_570	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_570	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_570	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_570	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_570	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_570	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_570	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_570	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_570	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_570	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_570	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_570	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_570	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_570	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_570	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_570	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_570	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_570	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_570	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_570	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_570	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_570	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_570	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_570	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_570	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_570	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_570	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_570	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_570	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_570	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_570	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_570	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_570	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_570	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_570	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_570	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_570	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_570	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_570	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_570	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_570	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_570	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_570	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_570	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_570	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_570	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_570	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_570	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_570	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_570	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_570	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_570	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_570	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_570	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_570	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_570	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_570	c1coc2c1cccc2	C271896
PUBCHEM_570	OC(=O)c1ccccc1	C65850
PUBCHEM_570	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_570	OCc1ccccc1	C100516
PUBCHEM_570	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_570	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_570	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_570	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_570	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_570	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_570	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_570	Oc1c(cccc1)O	C120809
PUBCHEM_570	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_570	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_570	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_570	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_570	O=C(c1ccccc1)CCl	C532274
PUBCHEM_570	Nc1ccc(cc1)Cl	C106478
PUBCHEM_570	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_570	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_570	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_570	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_570	Nc1cc(ccc1OC)C	C120718
PUBCHEM_570	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_570	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_570	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_570	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_570	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_570	Clc1c(cccc1)Cl	C95501
PUBCHEM_570	Clc1ccc(cc1)Cl	C106467
PUBCHEM_570	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_570	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_570	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_570	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_570	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_570	CN(c1ccccc1)C	C121697
PUBCHEM_570	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_570	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_570	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_570	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_570	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_570	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_570	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_570	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_570	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_570	O=Cc1ccco1	C98011
PUBCHEM_570	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_570	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_570	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_570	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_570	Oc1ccc(cc1)O	C123319
PUBCHEM_570	Oc1cccc2cccnc12	C148243
PUBCHEM_570	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_570	O=C(c1ccncc1)NN	C54853
PUBCHEM_570	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_570	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_570	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_570	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_570	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_570	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_570	Cc1cc2cccnc2cc1	C91623
PUBCHEM_570	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_570	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_570	c1c2c(ccc1)cccc2	C91203
PUBCHEM_570	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_570	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_570	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_570	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_570	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_570	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_570	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_570	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_570	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_570	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_570	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_570	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_570	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_570	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_570	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_570	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_570	Oc1ccccc1	C108952
PUBCHEM_570	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_570	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_570	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_570	Nc1cc(ccc1)N	C108452
PUBCHEM_570	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_570	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_570	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_570	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_570	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_570	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_570	Oc1cc(ccc1)O	C108463
PUBCHEM_570	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_570	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_570	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_570	C1C(c2ccccc2)O1	C96093
PUBCHEM_570	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_570	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_570	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_570	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_570	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_570	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_570	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_570	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_570	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_570	Oc1ccccc1Cl	C95578
PUBCHEM_570	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_570	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_570	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_570	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_570	n1cccc2c1cccc2	C91225
PUBCHEM_570	CCN(CC)c1ccccc1	C91667
PUBCHEM_570	Oc1c(C)cccc1	C95487
PUBCHEM_570	c1ccccc1C(=O)C	C98862
PUBCHEM_570	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_570	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_570	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_570	CCNc1cc(C)ccc1	C102272
PUBCHEM_570	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_570	Oc1ccc(C)cc1	C106445
PUBCHEM_570	Nc1ccc(C)cc1	C106490
PUBCHEM_570	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_570	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_570	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_570	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_570	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_570	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_570	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_570	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_570	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_570	Clc1cc(Cl)ccc1	C541731
PUBCHEM_570	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_570	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_570	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_570	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_570	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_570	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_570	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_570	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_570	c1(CCCC)ccccc1	C104518
PUBCHEM_570	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_570	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_570	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_570	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_570	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_570	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_570	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_570	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_570	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_570	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_570	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_570	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_570	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_570	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_570	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_570	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_570	Nc1c(OC)cccc1	C90040
PUBCHEM_570	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_570	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_570	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_570	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_570	Cc1ccccc1Cl	C95498
PUBCHEM_570	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_570	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_570	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_570	Oc1c(cccc1C)C	C576261
PUBCHEM_570	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_570	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_570	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_570	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_570	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_570	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_570	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_570	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_570	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_570	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_570	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_570	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_570	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_570	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_570	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_570	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_570	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_570	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_570	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_570	Cc1ccc(Cl)cc1	C106434
PUBCHEM_570	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_570	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_570	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_570	Nc1cc(C)ccc1N	C496720
PUBCHEM_570	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_570	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_570	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_570	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_570	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_570	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_570	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_570	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_570	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_570	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_570	N(c1ccccc1)CC	C103695
PUBCHEM_570	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_570	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_570	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_570	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_570	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_570	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_570	Nc1c(N)cccc1	C95545
PUBCHEM_570	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_570	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_570	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_570	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_570	Nc1c(cccc1)C	C95534
PUBCHEM_570	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_570	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_570	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_570	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_570	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_570	Nc1c(cccc1C)C	C87627
PUBCHEM_570	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_570	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_570	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_570	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_570	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_570	N#Cc1cnccc1	C100549
PUBCHEM_570	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_570	Nc1cccc(C)c1	C108441
PUBCHEM_570	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_570	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_570	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_570	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_570	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_570	Nc1c(CC)cccc1CC	C579668
PUBCHEM_570	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_570	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_570	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_570	Nc1cccc(C)c1N	C2687254
PUBCHEM_570	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_570	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_570	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_570	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_570	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_570	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_570	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_570	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_570	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_570	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_570	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_570	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_570	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_570	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_570	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_570	O=Cc1ccccc1C=O	C643798
PUBCHEM_570	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_570	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_570	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_570	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_570	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_570	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_570	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_570	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_570	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_570	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_570	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_570	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_570	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_570	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_570	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_570	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_570	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_570	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_570	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_570	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_570	CCCc1ccccc1	C103651
PUBCHEM_570	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_570	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_570	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_570	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_570	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_570	CC(C)(C)c1ccccc1	C98066
PUBCHEM_570	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_570	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_570	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_570	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_570	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_570	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_570	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_570	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_570	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_570	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_570	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_570	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_570	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_570	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_570	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_570	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_570	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_570	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_570	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_570	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_570	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_570	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_570	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_570	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_570	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_570	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_570	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_570	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_570	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_570	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_570	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_570	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_570	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_570	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_570	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_570	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_570	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_570	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_570	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_570	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_570	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_570	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_570	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_570	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_570	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_570	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_570	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_570	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_570	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_570	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_570	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_570	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_570	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_570	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_570	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_570	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_570	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_570	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_570	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_570	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_570	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_570	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_570	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_570	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_570	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_570	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_570	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_570	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_570	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_570	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_570	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_570	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_570	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_570	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_570	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_570	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_570	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_570	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_570	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_570	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_570	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_570	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_570	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_570	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_570	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_570	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_570	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_570	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_570	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_570	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_570	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_570	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_570	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_570	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_570	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_570	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_570	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_570	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_570	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_570	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_570	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_570	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_570	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_570	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_570	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_570	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_570	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_570	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_570	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_570	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_570	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_570	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_570	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_570	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_570	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_570	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_570	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_570	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_570	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_570	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_570	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_570	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_570	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_570	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_570	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_570	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_570	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_570	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_570	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_570	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_570	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_570	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_570	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_570	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_570	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_570	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_570	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_570	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_570	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_570	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_570	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_570	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_570	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_570	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_570	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_570	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_570	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_570	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_570	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_570	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_570	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_570	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_570	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_570	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_570	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_570	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_570	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_570	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_570	O=C(OCC)c1ccccc1	C93890
PUBCHEM_570	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_570	NCc1cccc(CN)c1	C1477550
PUBCHEM_570	n1cc(C)ccc1	C108996
PUBCHEM_570	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_570	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_570	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_570	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_570	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_570	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_570	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_570	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_570	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_570	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_570	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_570	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_570	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_570	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_570	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_570	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_570	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_570	NNc1ccccc1.Cl	C59881
PUBCHEM_570	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_570	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_570	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_570	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_570	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_570	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_570	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_570	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_570	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_570	N#Cc1ccccc1	C100470
PUBCHEM_570	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_570	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_570	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_570	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_570	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_570	Nc1ccc(Br)cc1	C106401
PUBCHEM_570	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_570	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_570	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_570	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_570	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_570	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_570	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_570	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_570	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_570	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_570	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_570	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_570	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_570	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_570	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_570	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_570	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_570	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_570	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_570	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_570	Nc1ccc(OC)cc1	C104949
PUBCHEM_570	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_570	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_570	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_570	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_570	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_570	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_570	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_570	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_570	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_570	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_570	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_570	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_570	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_570	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_570	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_570	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_570	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_570	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_570	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_570	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_570	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_570	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_570	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_570	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_570	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_570	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_570	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_570	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_570	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_570	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_570	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_570	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_570	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_570	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_570	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_570	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_570	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_570	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_570	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_570	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_570	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_570	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_570	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_570	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_570	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_570	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_570	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_570	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_570	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_570	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_570	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_570	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_570	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_570	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_570	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_570	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_570	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_570	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_570	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_570	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_570	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_570	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_570	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_570	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_570	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_570	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_570	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_570	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_570	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_570	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_570	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_570	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_570	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_570	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_570	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_570	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_570	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_570	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_570	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_570	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_570	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_570	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_570	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_570	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_570	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_570	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_570	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_570	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_570	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_570	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_570	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_570	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_570	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_570	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_570	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_570	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_570	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_570	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_570	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_570	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_570	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_570	Cl[Hg]c1ccccc1	C100561
PUBCHEM_570	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_570	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_570	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_570	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_570	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_570	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_570	O=[As]c1ccccc1	C637036
PUBCHEM_570	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_570	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_570	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_570	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_570	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_570	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_570	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_570	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_570	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_570	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_570	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_570	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_570	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_570	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_570	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_570	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_570	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_570	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_570	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_570	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_570	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_570	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_570	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_570	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_570	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_570	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_570	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_570	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_570	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_570	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_570	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_570	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_570	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_570	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_570	Nc1cccc(C)n1	C1824813
PUBCHEM_570	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_570	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_570	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_570	CC1COc2ccccc2N1	C32329207
PUBCHEM_570	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_570	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_570	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_570	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_570	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_570	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_570	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_570	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_570	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_570	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_570	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_570	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_570	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_570	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_570	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_570	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_570	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_570	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_570	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_570	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_570	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_570	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_570	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_570	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_570	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_570	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_570	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_570	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_570	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_570	CCCCCc1ccco1	C3777693
PUBCHEM_570	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_572	c1(nc[nH]n1)N	C61825
PUBCHEM_572	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_572	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_572	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_572	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_572	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_572	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_572	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_572	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_572	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_572	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_572	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_572	n1c[nH]cc1	C288324
PUBCHEM_572	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_572	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_572	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_572	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_572	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_572	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_572	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_572	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_572	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_572	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_572	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_572	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_572	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_572	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_572	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_572	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_572	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_572	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_572	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_572	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_572	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_572	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_572	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_572	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_572	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_572	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_572	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_572	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_572	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_572	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_572	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_572	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_572	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_572	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_572	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_572	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_572	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_572	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_572	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_572	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_572	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_572	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_572	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_572	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_572	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_572	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_572	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_572	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_572	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_572	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_572	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_572	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_572	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_572	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_572	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_572	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_572	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_572	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_572	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_572	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_572	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_572	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_572	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_572	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_572	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_572	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_572	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_572	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_572	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_572	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_572	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_572	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_572	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_572	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_572	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_572	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_572	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_572	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_572	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_572	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_572	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_572	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_572	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_572	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_572	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_572	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_572	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_572	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_572	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_572	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_572	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_572	[nH]1ncnc1	C288880
PUBCHEM_572	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_572	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_572	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_572	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_572	Nn1cnnc1	C584134
PUBCHEM_572	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_572	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_572	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_572	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_572	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_572	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_572	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_572	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_572	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_572	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_572	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_572	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_572	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_572	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_572	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_572	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_572	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_572	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_572	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_572	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_572	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_572	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_572	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_572	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_572	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_572	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_572	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_572	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_572	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_572	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_572	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_572	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_572	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_572	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_572	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_572	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_572	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_572	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_572	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_572	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_572	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_572	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_572	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_572	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_572	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_572	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_572	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_572	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_572	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_572	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_572	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_572	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_572	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_572	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_572	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_572	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_572	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_572	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_572	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_572	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_573	C=CCO	C107186
PUBCHEM_573	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_573	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_573	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_573	CC(=O)OCc1ccccc1	C140114
PUBCHEM_573	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_573	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_573	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_573	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_573	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_573	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_573	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_573	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_573	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_573	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_573	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_573	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_573	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_573	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_573	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_573	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_573	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_573	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_573	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_573	COc1ccc(cc1)O	C150765
PUBCHEM_573	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_573	OC(=O)c1cccnc1	C59676
PUBCHEM_573	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_573	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_573	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_573	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_573	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_573	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_573	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_573	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_573	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_573	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_573	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_573	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_573	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_573	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_573	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_573	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_573	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_573	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_573	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_573	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_573	O=Cc1ccccc1O	C90028
PUBCHEM_573	Oc1cccc2ccccc12	C90153
PUBCHEM_573	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_573	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_573	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_573	Oc1ccc(Cl)cc1	C106489
PUBCHEM_573	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_573	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_573	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_573	Oc1ccc(CC)cc1	C123079
PUBCHEM_573	COc1ccc(OC)cc1	C150787
PUBCHEM_573	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_573	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_573	Oc1ccc(CCC)cc1	C645567
PUBCHEM_573	C=CC(=O)OCCO	C818611
PUBCHEM_573	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_573	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_573	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_573	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_573	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_573	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_573	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_573	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_573	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_573	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_573	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_573	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_573	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_573	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_573	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_573	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_573	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_573	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_573	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_573	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_573	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_573	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_573	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_573	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_573	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_573	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_573	c1(c(CC)cccc1)O	C90006
PUBCHEM_573	c1c(O)cccc1CC	C620177
PUBCHEM_573	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_573	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_573	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_573	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_573	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_573	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_573	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_573	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_573	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_573	c1cccc(OC)c1O	C90051
PUBCHEM_573	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_573	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_573	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_573	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_573	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_573	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_573	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_573	Cc1cc(O)ccc1	C108394
PUBCHEM_573	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_573	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_573	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_573	O=C(OCCCC)C=C	C141322
PUBCHEM_573	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_573	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_573	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_573	Cc1c(C)cccc1O	C526750
PUBCHEM_573	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_573	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_573	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_573	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_573	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_573	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_573	c1c(CO)occ1	C98000
PUBCHEM_573	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_573	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_573	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_573	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_573	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_573	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_573	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_573	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_573	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_573	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_573	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_573	O=C(O)c1ccccc1O	C69727
PUBCHEM_573	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_573	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_573	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_573	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_573	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_573	Oc1ccc2ccccc2c1	C135193
PUBCHEM_573	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_573	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_573	OC(C)COc1ccccc1	C770354
PUBCHEM_573	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_573	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_573	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_573	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_573	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_573	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_573	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_573	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_573	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_573	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_573	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_573	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_573	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_573	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_573	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_573	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_573	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_573	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_573	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_573	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_573	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_573	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_573	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_573	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_573	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_573	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_573	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_573	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_573	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_573	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_573	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_573	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_573	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_573	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_573	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_573	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_573	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_573	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_573	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_573	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_573	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_573	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_573	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_573	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_573	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_573	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_573	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_573	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_573	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_573	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_573	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_573	OC(CCCCC)C=C	C3391864
PUBCHEM_573	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_573	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_573	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_573	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_573	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_573	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_573	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_573	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_573	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_573	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_573	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_573	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_573	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_573	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_573	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_573	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_573	O=C(c1ccccc1O)C	C118934
PUBCHEM_573	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_573	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_573	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_573	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_573	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_573	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_573	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_573	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_573	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_573	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_573	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_573	Oc1ccccc1CN(C)C	C120650
PUBCHEM_573	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_573	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_573	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_573	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_573	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_573	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_573	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_573	OCC=Cc1ccccc1	C104541
PUBCHEM_573	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_573	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_573	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_573	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_573	N#Cc1c(O)cccc1	C611201
PUBCHEM_573	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_573	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_573	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_573	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_573	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_573	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_573	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_573	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_573	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_573	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_573	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_573	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_573	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_573	Oc1c(OCC)cccc1	C94713
PUBCHEM_573	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_573	COc1ccc(CCC)cc1	C104450
PUBCHEM_573	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_573	OC(CO)c1ccccc1	C93561
PUBCHEM_573	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_573	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_573	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_573	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_573	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_573	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_573	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_573	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_573	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_573	[O-]C(=O)C(=C)C.[Na+]	C5536618
PUBCHEM_573	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_573	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_573	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_573	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_573	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_573	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_573	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_573	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_573	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_573	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_573	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_573	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_573	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_573	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_573	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_573	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_573	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_573	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_573	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_573	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_573	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_573	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_573	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_573	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_573	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_573	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_573	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_573	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_573	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_573	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_573	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_573	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_573	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_573	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_573	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_573	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_573	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_573	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_573	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_573	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_573	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_573	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_573	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_573	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_573	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_573	c1ccccc1OCCO	C122996
PUBCHEM_573	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_573	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_573	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_573	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_573	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_573	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_573	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_573	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_573	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_573	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_573	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_573	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_573	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_573	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_573	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_573	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_573	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_573	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_573	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_573	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_573	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_573	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_573	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_573	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_573	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_573	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_573	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_573	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_573	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_573	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_573	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_573	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_573	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_573	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_573	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_573	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_573	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_573	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_573	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_573	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_573	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_573	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_573	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_573	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_573	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_573	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_573	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_573	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_573	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_573	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_573	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_573	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_573	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_573	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_573	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_573	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_573	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_573	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_573	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_573	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_573	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_573	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_573	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_573	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_573	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_573	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_573	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_573	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_573	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_573	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_573	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_573	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_573	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_573	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_573	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_573	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_573	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_573	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_573	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_573	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_573	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_573	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_573	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_573	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_573	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_573	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_573	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_573	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_573	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_573	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_573	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_573	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_573	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_573	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_573	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_573	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_573	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_573	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_573	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_573	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_573	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_573	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_573	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_573	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_573	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_573	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_573	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_573	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_573	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_573	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_573	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_573	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_573	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_573	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_573	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_573	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_573	c1coc2c1cccc2	C271896
PUBCHEM_573	OC(=O)c1ccccc1	C65850
PUBCHEM_573	OCc1ccccc1	C100516
PUBCHEM_573	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_573	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_573	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_573	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_573	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_573	Oc1c(cccc1)O	C120809
PUBCHEM_573	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_573	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_573	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_573	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_573	Nc1cc(ccc1OC)C	C120718
PUBCHEM_573	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_573	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_573	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_573	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_573	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_573	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_573	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_573	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_573	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_573	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_573	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_573	O=Cc1ccco1	C98011
PUBCHEM_573	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_573	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_573	Oc1ccc(cc1)O	C123319
PUBCHEM_573	Oc1cccc2cccnc12	C148243
PUBCHEM_573	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_573	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_573	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_573	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_573	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_573	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_573	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_573	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_573	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_573	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_573	Oc1ccccc1	C108952
PUBCHEM_573	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_573	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_573	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_573	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_573	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_573	Oc1cc(ccc1)O	C108463
PUBCHEM_573	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_573	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_573	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_573	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_573	OC(=O)C=CC=CC	C110441
PUBCHEM_573	C1C(c2ccccc2)O1	C96093
PUBCHEM_573	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_573	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_573	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_573	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_573	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_573	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_573	Oc1ccccc1Cl	C95578
PUBCHEM_573	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_573	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_573	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_573	Oc1c(C)cccc1	C95487
PUBCHEM_573	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_573	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_573	Oc1ccc(C)cc1	C106445
PUBCHEM_573	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_573	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_573	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_573	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_573	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_573	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_573	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_573	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_573	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_573	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_573	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_573	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_573	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_573	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_573	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_573	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_573	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_573	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_573	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_573	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_573	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_573	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_573	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_573	Nc1c(OC)cccc1	C90040
PUBCHEM_573	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_573	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_573	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_573	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_573	Oc1c(cccc1C)C	C576261
PUBCHEM_573	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_573	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_573	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_573	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_573	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_573	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_573	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_573	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_573	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_573	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_573	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_573	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_573	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_573	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_573	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_573	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_573	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_573	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_573	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_573	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_573	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_573	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_573	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_573	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_573	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_573	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_573	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_573	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_573	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_573	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_573	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_573	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_573	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_573	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_573	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_573	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_573	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_573	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_573	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_573	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_573	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_573	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_573	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_573	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_573	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_573	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_573	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_573	O=C(C(=C)C)O[Sn](CCCC)(CCCC)CCCC	C2155706
PUBCHEM_573	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_573	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_573	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_573	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_573	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_573	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_573	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_573	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_573	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_573	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_573	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_573	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_573	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_573	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_573	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_573	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_573	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_573	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_573	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_573	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_573	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_573	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_573	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_573	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_573	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_573	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_573	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_573	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_573	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_573	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_573	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_573	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_573	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_573	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_573	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_573	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_573	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_573	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_573	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_573	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_573	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_573	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_573	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_573	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_573	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_573	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_573	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_573	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_573	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_573	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_573	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_573	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_573	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_573	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_573	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_573	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_573	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_573	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_573	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_573	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_573	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_573	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_573	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_573	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_573	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_573	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_573	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_573	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_573	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_573	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_573	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_573	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_573	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_573	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_573	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_573	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_573	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_573	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_573	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_573	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_573	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_573	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_573	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_573	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_573	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_573	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_573	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_573	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_573	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_573	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_573	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_573	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_573	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_573	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_573	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_573	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_573	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_573	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_573	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_573	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_573	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_573	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_573	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_573	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_573	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_573	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_573	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_573	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_573	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_573	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_573	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_573	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_573	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_573	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_573	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_573	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_573	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_573	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_573	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_573	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_573	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_573	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_573	O=C(OCC)c1ccccc1	C93890
PUBCHEM_573	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_573	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_573	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_573	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_573	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_573	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_573	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_573	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_573	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_573	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_573	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_573	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_573	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_573	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_573	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_573	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_573	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_573	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_573	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_573	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_573	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_573	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_573	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_573	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_573	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_573	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_573	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_573	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_573	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_573	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_573	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_573	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_573	Nc1ccc(OC)cc1	C104949
PUBCHEM_573	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_573	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_573	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_573	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_573	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_573	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_573	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_573	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_573	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_573	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_573	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_573	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_573	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_573	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_573	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_573	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_573	OCC=C(C)C	C556821
PUBCHEM_573	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_573	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_573	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_573	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_573	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_573	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_573	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_573	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_573	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_573	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_573	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_573	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_573	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_573	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_573	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_573	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_573	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_573	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_573	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_573	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_573	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_573	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_573	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_573	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_573	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_573	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_573	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_573	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_573	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_573	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_573	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_573	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_573	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_573	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_573	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_573	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_573	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_573	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_573	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_573	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_573	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_573	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_573	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_573	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_573	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_573	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_573	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_573	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_573	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_573	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_573	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_573	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_573	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_573	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_573	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_573	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_573	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_573	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_573	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_573	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_573	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_573	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_573	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_573	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_573	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_573	O=C(OCCCCO)C=C	C2478106
PUBCHEM_573	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_573	O=C(O[Sn](CCCC)(CCCC)CCCC)C=C	C13331527
PUBCHEM_573	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_573	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_573	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_573	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_573	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_573	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_573	CC1COc2ccccc2N1	C32329207
PUBCHEM_573	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_573	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_573	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_573	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_573	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_573	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_573	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_573	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_573	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_573	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_573	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_573	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_573	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_573	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_573	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_573	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_573	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_573	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_573	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_573	CCCCCc1ccco1	C3777693
PUBCHEM_574	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_574	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_574	CC(=O)OCc1ccccc1	C140114
PUBCHEM_574	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_574	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_574	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_574	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_574	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_574	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_574	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_574	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_574	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_574	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_574	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_574	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_574	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_574	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_574	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_574	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_574	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_574	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_574	COc1ccc(cc1)O	C150765
PUBCHEM_574	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_574	OC(=O)c1cccnc1	C59676
PUBCHEM_574	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_574	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_574	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_574	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_574	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_574	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_574	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_574	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_574	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_574	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_574	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_574	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_574	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_574	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_574	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_574	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_574	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_574	O=Cc1ccccc1O	C90028
PUBCHEM_574	Oc1cccc2ccccc12	C90153
PUBCHEM_574	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_574	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_574	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_574	Oc1ccc(Cl)cc1	C106489
PUBCHEM_574	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_574	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_574	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_574	Oc1ccc(CC)cc1	C123079
PUBCHEM_574	COc1ccc(OC)cc1	C150787
PUBCHEM_574	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_574	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_574	Oc1ccc(CCC)cc1	C645567
PUBCHEM_574	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_574	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_574	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_574	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_574	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_574	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_574	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_574	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_574	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_574	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_574	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_574	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_574	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_574	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_574	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_574	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_574	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_574	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_574	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_574	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_574	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_574	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_574	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_574	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_574	c1(c(CC)cccc1)O	C90006
PUBCHEM_574	c1c(O)cccc1CC	C620177
PUBCHEM_574	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_574	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_574	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_574	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_574	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_574	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_574	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_574	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_574	c1cccc(OC)c1O	C90051
PUBCHEM_574	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_574	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_574	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_574	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_574	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_574	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_574	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_574	Cc1cc(O)ccc1	C108394
PUBCHEM_574	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_574	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_574	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_574	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_574	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_574	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_574	Cc1c(C)cccc1O	C526750
PUBCHEM_574	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_574	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_574	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_574	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_574	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_574	c1c(CO)occ1	C98000
PUBCHEM_574	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_574	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_574	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_574	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_574	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_574	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_574	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_574	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_574	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_574	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_574	O=C(O)c1ccccc1O	C69727
PUBCHEM_574	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_574	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_574	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_574	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_574	Oc1ccc2ccccc2c1	C135193
PUBCHEM_574	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_574	OC(C)COc1ccccc1	C770354
PUBCHEM_574	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_574	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_574	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_574	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_574	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_574	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_574	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_574	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_574	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_574	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_574	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_574	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_574	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_574	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_574	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_574	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_574	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_574	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_574	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_574	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_574	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_574	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_574	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_574	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_574	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_574	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_574	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_574	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_574	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_574	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_574	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_574	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_574	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_574	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_574	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_574	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_574	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_574	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_574	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_574	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_574	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_574	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_574	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_574	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_574	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_574	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_574	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_574	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_574	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_574	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_574	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_574	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_574	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_574	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_574	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_574	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_574	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_574	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_574	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_574	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_574	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_574	O=C(c1ccccc1O)C	C118934
PUBCHEM_574	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_574	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_574	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_574	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_574	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_574	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_574	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_574	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_574	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_574	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_574	Oc1ccccc1CN(C)C	C120650
PUBCHEM_574	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_574	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_574	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_574	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_574	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_574	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_574	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_574	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_574	N#Cc1c(O)cccc1	C611201
PUBCHEM_574	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_574	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_574	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_574	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_574	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_574	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_574	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_574	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_574	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_574	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_574	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_574	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_574	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_574	Oc1c(OCC)cccc1	C94713
PUBCHEM_574	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_574	COc1ccc(CCC)cc1	C104450
PUBCHEM_574	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_574	OC(CO)c1ccccc1	C93561
PUBCHEM_574	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_574	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_574	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_574	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_574	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_574	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_574	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_574	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_574	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_574	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_574	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_574	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_574	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_574	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_574	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_574	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_574	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_574	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_574	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_574	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_574	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_574	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_574	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_574	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_574	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_574	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_574	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_574	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_574	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_574	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_574	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_574	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_574	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_574	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_574	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_574	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_574	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_574	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_574	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_574	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_574	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_574	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_574	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_574	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_574	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_574	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_574	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_574	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_574	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_574	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_574	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_574	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_574	c1ccccc1OCCO	C122996
PUBCHEM_574	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_574	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_574	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_574	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_574	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_574	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_574	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_574	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_574	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_574	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_574	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_574	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_574	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_574	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_574	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_574	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_574	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_574	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_574	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_574	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_574	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_574	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_574	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_574	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_574	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_574	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_574	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_574	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_574	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_574	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_574	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_574	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_574	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_574	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_574	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_574	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_574	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_574	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_574	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_574	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_574	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_574	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_574	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_574	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_574	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_574	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_574	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_574	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_574	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_574	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_574	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_574	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_574	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_574	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_574	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_574	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_574	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_574	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_574	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_574	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_574	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_574	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_574	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_574	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_574	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_574	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_574	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_574	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_574	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_574	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_574	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_574	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_574	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_574	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_574	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_574	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_574	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_574	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_574	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_574	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_574	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_574	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_574	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_574	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_574	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_574	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_574	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_574	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_574	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_574	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_574	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_574	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_574	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_574	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_574	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_574	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_574	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_574	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_574	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_574	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_574	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_574	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_574	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_574	c1coc2c1cccc2	C271896
PUBCHEM_574	OC(=O)c1ccccc1	C65850
PUBCHEM_574	OCc1ccccc1	C100516
PUBCHEM_574	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_574	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_574	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_574	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_574	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_574	Oc1c(cccc1)O	C120809
PUBCHEM_574	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_574	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_574	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_574	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_574	Nc1cc(ccc1OC)C	C120718
PUBCHEM_574	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_574	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_574	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_574	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_574	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_574	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_574	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_574	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_574	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_574	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_574	O=Cc1ccco1	C98011
PUBCHEM_574	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_574	Oc1ccc(cc1)O	C123319
PUBCHEM_574	Oc1cccc2cccnc12	C148243
PUBCHEM_574	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_574	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_574	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_574	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_574	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_574	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_574	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_574	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_574	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_574	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_574	Oc1ccccc1	C108952
PUBCHEM_574	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_574	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_574	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_574	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_574	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_574	Oc1cc(ccc1)O	C108463
PUBCHEM_574	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_574	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_574	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_574	C1C(c2ccccc2)O1	C96093
PUBCHEM_574	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_574	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_574	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_574	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_574	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_574	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_574	Oc1ccccc1Cl	C95578
PUBCHEM_574	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_574	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_574	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_574	Oc1c(C)cccc1	C95487
PUBCHEM_574	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_574	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_574	Oc1ccc(C)cc1	C106445
PUBCHEM_574	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_574	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_574	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_574	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_574	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_574	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_574	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_574	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_574	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_574	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_574	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_574	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_574	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_574	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_574	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_574	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_574	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_574	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_574	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_574	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_574	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_574	Nc1c(OC)cccc1	C90040
PUBCHEM_574	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_574	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_574	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_574	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_574	Oc1c(cccc1C)C	C576261
PUBCHEM_574	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_574	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_574	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_574	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_574	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_574	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_574	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_574	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_574	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_574	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_574	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_574	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_574	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_574	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_574	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_574	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_574	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_574	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_574	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_574	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_574	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_574	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_574	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_574	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_574	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_574	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_574	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_574	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_574	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_574	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_574	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_574	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_574	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_574	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_574	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_574	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_574	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_574	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_574	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_574	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_574	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_574	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_574	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_574	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_574	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_574	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_574	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_574	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_574	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_574	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_574	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_574	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_574	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_574	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_574	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_574	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_574	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_574	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_574	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_574	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_574	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_574	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_574	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_574	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_574	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_574	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_574	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_574	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_574	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_574	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_574	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_574	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_574	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_574	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_574	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_574	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_574	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_574	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_574	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_574	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_574	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_574	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_574	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_574	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_574	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_574	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_574	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_574	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_574	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_574	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_574	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_574	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_574	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_574	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_574	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_574	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_574	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_574	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_574	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_574	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_574	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_574	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_574	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_574	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_574	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_574	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_574	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_574	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_574	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_574	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_574	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_574	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_574	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_574	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_574	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_574	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_574	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_574	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_574	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_574	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_574	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_574	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_574	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_574	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_574	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_574	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_574	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_574	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_574	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_574	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_574	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_574	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_574	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_574	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_574	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_574	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_574	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_574	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_574	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_574	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_574	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_574	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_574	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_574	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_574	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_574	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_574	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_574	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_574	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_574	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_574	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_574	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_574	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_574	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_574	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_574	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_574	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_574	O=C(OCC)c1ccccc1	C93890
PUBCHEM_574	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_574	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_574	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_574	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_574	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_574	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_574	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_574	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_574	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_574	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_574	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_574	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_574	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_574	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_574	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_574	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_574	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_574	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_574	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_574	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_574	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_574	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_574	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_574	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_574	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_574	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_574	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_574	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_574	Nc1ccc(OC)cc1	C104949
PUBCHEM_574	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_574	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_574	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_574	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_574	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_574	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_574	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_574	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_574	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_574	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_574	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_574	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_574	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_574	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_574	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_574	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_574	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_574	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_574	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_574	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_574	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_574	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_574	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_574	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_574	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_574	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_574	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_574	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_574	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_574	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_574	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_574	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_574	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_574	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_574	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_574	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_574	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_574	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_574	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_574	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_574	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_574	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_574	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_574	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_574	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_574	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_574	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_574	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_574	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_574	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_574	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_574	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_574	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_574	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_574	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_574	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_574	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_574	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_574	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_574	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_574	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_574	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_574	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_574	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_574	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_574	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_574	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_574	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_574	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_574	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_574	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_574	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_574	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_574	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_574	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_574	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_574	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_574	CC1COc2ccccc2N1	C32329207
PUBCHEM_574	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_574	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_574	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_574	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_574	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_574	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_574	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_574	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_574	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_574	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_574	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_574	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_574	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_574	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_574	CCCCCc1ccco1	C3777693
PUBCHEM_575	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_575	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_575	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_575	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_575	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_575	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_575	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_575	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_575	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_575	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_575	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_575	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_575	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_575	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_575	O=C(O)c1ccccc1O	C69727
PUBCHEM_575	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_575	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_575	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_575	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_575	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_575	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_575	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_575	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_575	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_575	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_575	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_575	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_575	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_575	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_575	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_575	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_575	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_575	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_575	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_575	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_575	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_575	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_575	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_575	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_575	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_575	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_575	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_575	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_575	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_575	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_575	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_575	Oc1cc(ccc1)O	C108463
PUBCHEM_575	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_575	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_575	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_575	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_575	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_575	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_575	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_575	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_575	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_575	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_575	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_575	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_575	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_575	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_575	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_575	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_575	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_575	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_575	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_575	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_575	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_575	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_575	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_575	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_575	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_575	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_575	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_575	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_575	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_575	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_575	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_575	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_575	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_575	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_575	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_575	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_575	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_575	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_575	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_575	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_575	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_575	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_575	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_575	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_577	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_577	c1cccc2[nH]ccc12	C120729
PUBCHEM_577	NC(=O)c1cccnc1	C98920
PUBCHEM_577	OC(=O)c1cccnc1	C59676
PUBCHEM_577	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_577	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_577	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_577	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_577	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_577	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_577	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_577	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_577	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_577	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_577	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_577	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_577	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_577	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_577	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_577	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_577	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_577	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_577	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_577	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_577	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_577	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_577	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_577	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_577	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_577	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_577	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_577	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_577	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_577	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_577	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_577	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_577	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_577	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_577	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_577	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_577	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_577	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_577	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_577	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_577	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_577	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_577	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_577	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_577	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_577	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_577	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_577	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_577	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_577	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_577	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_577	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_577	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_577	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_577	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_577	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_577	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_577	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_577	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_577	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_577	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_577	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_577	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_577	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_577	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_577	Oc1cccc2cccnc12	C148243
PUBCHEM_577	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_577	O=C(c1ccncc1)NN	C54853
PUBCHEM_577	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_577	Cc1cc2cccnc2cc1	C91623
PUBCHEM_577	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_577	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_577	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_577	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_577	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_577	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_577	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_577	n1cccc2c1cccc2	C91225
PUBCHEM_577	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_577	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_577	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_577	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_577	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_577	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_577	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_577	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_577	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_577	N#Cc1cnccc1	C100549
PUBCHEM_577	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_577	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_577	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_577	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_577	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_577	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_577	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_577	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_577	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_577	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_577	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_577	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_577	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_577	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_577	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_577	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_577	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_577	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_577	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_577	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_577	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_577	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_577	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_577	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_577	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_577	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_577	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_577	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_577	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_577	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_577	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_577	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_577	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_577	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_577	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_577	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_577	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_577	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_577	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_577	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_577	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_577	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_577	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_577	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_577	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_577	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_577	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_577	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_577	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_577	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_577	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_577	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_577	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_577	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_577	n1cc(C)ccc1	C108996
PUBCHEM_577	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_577	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_577	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_577	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_577	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_577	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_577	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_577	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_577	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_577	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_577	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_577	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_577	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_577	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_577	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_577	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_577	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_577	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_577	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_577	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_577	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_577	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_577	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_577	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_577	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_577	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_577	Nc1cccc(C)n1	C1824813
PUBCHEM_577	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_577	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_577	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_577	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_578	Nc1ccccc1.Cl	C142041
PUBCHEM_578	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_578	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_578	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_578	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_578	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_578	CC(=O)OCc1ccccc1	C140114
PUBCHEM_578	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_578	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_578	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_578	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_578	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_578	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_578	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_578	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_578	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_578	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_578	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_578	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_578	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_578	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_578	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_578	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_578	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_578	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_578	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_578	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_578	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_578	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_578	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_578	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_578	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_578	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_578	c1cccc2[nH]ccc12	C120729
PUBCHEM_578	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_578	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_578	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_578	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_578	COc1ccc(cc1)O	C150765
PUBCHEM_578	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_578	C=Cc1ccc(cc1)C	C622979
PUBCHEM_578	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_578	NC(=O)c1cccnc1	C98920
PUBCHEM_578	OC(=O)c1cccnc1	C59676
PUBCHEM_578	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_578	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_578	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_578	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_578	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_578	Nc1ccc(cc1)N	C106503
PUBCHEM_578	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_578	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_578	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_578	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_578	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_578	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_578	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_578	Nc1ccccc1C.Cl	C636215
PUBCHEM_578	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_578	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_578	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_578	O=CCc1ccccc1	C122781
PUBCHEM_578	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_578	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_578	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_578	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_578	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_578	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_578	O=Cc1ccccc1O	C90028
PUBCHEM_578	Oc1cccc2ccccc12	C90153
PUBCHEM_578	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_578	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_578	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_578	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_578	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_578	Oc1ccc(Cl)cc1	C106489
PUBCHEM_578	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_578	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_578	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_578	Oc1ccc(CC)cc1	C123079
PUBCHEM_578	COc1ccc(OC)cc1	C150787
PUBCHEM_578	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_578	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_578	Oc1ccc(CCC)cc1	C645567
PUBCHEM_578	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_578	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_578	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_578	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_578	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_578	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_578	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_578	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_578	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_578	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_578	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_578	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_578	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_578	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_578	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_578	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_578	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_578	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_578	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_578	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_578	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_578	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_578	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_578	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_578	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_578	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_578	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_578	c1(c(CC)cccc1)O	C90006
PUBCHEM_578	c1c(O)cccc1CC	C620177
PUBCHEM_578	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_578	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_578	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_578	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_578	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_578	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_578	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_578	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_578	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_578	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_578	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_578	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_578	c1cccc(OC)c1O	C90051
PUBCHEM_578	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_578	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_578	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_578	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_578	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_578	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_578	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_578	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_578	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_578	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_578	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_578	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_578	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_578	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_578	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_578	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_578	Cc1cc(O)ccc1	C108394
PUBCHEM_578	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_578	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_578	c1ccc2ncsc2c1	C95169
PUBCHEM_578	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_578	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_578	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_578	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_578	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_578	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_578	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_578	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_578	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_578	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_578	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_578	Cc1c(C)cccc1O	C526750
PUBCHEM_578	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_578	C=Cc1ccccc1C=C	C1321740
PUBCHEM_578	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_578	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_578	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_578	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_578	c1c(CO)occ1	C98000
PUBCHEM_578	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_578	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_578	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_578	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_578	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_578	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_578	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_578	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_578	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_578	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_578	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_578	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_578	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_578	c12ccccc1CCCC2	C119642
PUBCHEM_578	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_578	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_578	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_578	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_578	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_578	Cc1cccc(C)c1	C108383
PUBCHEM_578	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_578	OCCc1ccccc1	C60128
PUBCHEM_578	O=C(O)c1ccccc1O	C69727
PUBCHEM_578	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_578	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_578	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_578	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_578	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_578	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_578	Sc1ccccc1	C108985
PUBCHEM_578	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_578	Oc1ccc2ccccc2c1	C135193
PUBCHEM_578	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_578	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_578	Brc1ccc(F)cc1	C460004
PUBCHEM_578	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_578	ClP(c1ccccc1)Cl	C644973
PUBCHEM_578	OC(C)COc1ccccc1	C770354
PUBCHEM_578	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_578	Nc1cccc(C)c1C	C1300738
PUBCHEM_578	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_578	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_578	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_578	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_578	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_578	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_578	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_578	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_578	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_578	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_578	Nc1c(C)cccc1CC	C24549062
PUBCHEM_578	Clc1cccc(C)c1	C25168052
PUBCHEM_578	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_578	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_578	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_578	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_578	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_578	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_578	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_578	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_578	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_578	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_578	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_578	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_578	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_578	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_578	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_578	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_578	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_578	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_578	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_578	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_578	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_578	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_578	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_578	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_578	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_578	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_578	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_578	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_578	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_578	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_578	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_578	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_578	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_578	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_578	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_578	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_578	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_578	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_578	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_578	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_578	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_578	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_578	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_578	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_578	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_578	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_578	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_578	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_578	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_578	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_578	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_578	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_578	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_578	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_578	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_578	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_578	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_578	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_578	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_578	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_578	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_578	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_578	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_578	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_578	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_578	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_578	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_578	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_578	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_578	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_578	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_578	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_578	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_578	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_578	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_578	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_578	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_578	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_578	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_578	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_578	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_578	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_578	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_578	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_578	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_578	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_578	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_578	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_578	O=C(c1ccccc1O)C	C118934
PUBCHEM_578	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_578	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_578	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_578	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_578	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_578	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_578	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_578	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_578	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_578	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_578	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_578	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_578	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_578	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_578	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_578	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_578	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_578	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_578	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_578	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_578	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_578	Oc1ccccc1CN(C)C	C120650
PUBCHEM_578	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_578	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_578	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_578	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_578	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_578	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_578	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_578	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_578	OCC=Cc1ccccc1	C104541
PUBCHEM_578	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_578	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_578	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_578	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_578	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_578	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_578	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_578	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_578	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_578	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_578	N#Cc1c(O)cccc1	C611201
PUBCHEM_578	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_578	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_578	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_578	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_578	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_578	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_578	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_578	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_578	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_578	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_578	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_578	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_578	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_578	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_578	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_578	c12ccccc1CC=C2	C95136
PUBCHEM_578	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_578	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_578	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_578	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_578	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_578	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_578	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_578	Oc1c(OCC)cccc1	C94713
PUBCHEM_578	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_578	COc1ccc(CCC)cc1	C104450
PUBCHEM_578	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_578	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_578	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_578	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_578	OC(CO)c1ccccc1	C93561
PUBCHEM_578	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_578	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_578	O=C(N)Nc1ccccc1	C64108
PUBCHEM_578	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_578	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_578	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_578	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_578	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_578	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_578	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_578	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_578	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_578	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_578	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_578	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_578	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_578	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_578	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_578	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_578	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_578	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_578	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_578	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_578	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_578	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_578	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_578	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_578	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_578	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_578	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_578	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_578	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_578	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_578	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_578	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_578	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_578	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_578	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_578	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_578	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_578	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_578	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_578	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_578	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_578	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_578	Sc1ccc(C)cc1	C106456
PUBCHEM_578	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_578	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_578	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_578	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_578	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_578	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_578	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_578	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_578	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_578	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_578	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_578	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_578	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_578	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_578	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_578	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_578	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_578	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_578	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_578	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_578	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_578	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_578	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_578	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_578	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_578	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_578	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_578	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_578	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_578	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_578	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_578	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_578	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_578	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_578	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_578	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_578	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_578	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_578	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_578	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_578	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_578	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_578	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_578	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_578	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_578	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_578	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_578	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_578	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_578	c1ccccc1OCCO	C122996
PUBCHEM_578	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_578	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_578	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_578	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_578	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_578	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_578	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_578	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_578	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_578	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_578	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_578	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_578	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_578	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_578	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_578	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_578	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_578	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_578	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_578	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_578	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_578	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_578	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_578	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_578	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_578	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_578	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_578	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_578	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_578	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_578	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_578	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_578	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_578	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_578	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_578	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_578	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_578	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_578	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_578	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_578	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_578	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_578	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_578	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_578	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_578	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_578	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_578	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_578	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_578	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_578	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_578	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_578	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_578	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_578	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_578	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_578	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_578	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_578	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_578	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_578	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_578	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_578	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_578	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_578	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_578	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_578	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_578	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_578	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_578	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_578	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_578	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_578	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_578	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_578	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_578	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_578	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_578	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_578	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_578	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_578	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_578	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_578	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_578	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_578	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_578	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_578	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_578	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_578	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_578	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_578	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_578	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_578	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_578	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_578	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_578	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_578	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_578	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_578	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_578	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_578	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_578	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_578	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_578	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_578	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_578	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_578	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_578	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_578	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_578	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_578	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_578	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_578	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_578	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_578	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_578	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_578	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_578	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_578	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_578	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_578	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_578	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_578	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_578	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_578	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_578	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_578	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_578	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_578	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_578	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_578	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_578	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_578	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_578	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_578	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_578	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_578	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_578	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_578	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_578	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_578	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_578	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_578	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_578	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_578	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_578	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_578	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_578	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_578	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_578	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_578	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_578	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_578	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_578	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_578	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_578	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_578	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_578	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_578	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_578	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_578	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_578	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_578	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_578	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_578	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_578	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_578	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_578	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_578	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_578	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_578	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_578	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_578	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_578	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_578	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_578	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_578	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_578	c1coc2c1cccc2	C271896
PUBCHEM_578	OC(=O)c1ccccc1	C65850
PUBCHEM_578	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_578	OCc1ccccc1	C100516
PUBCHEM_578	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_578	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_578	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_578	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_578	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_578	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_578	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_578	Oc1c(cccc1)O	C120809
PUBCHEM_578	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_578	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_578	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_578	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_578	O=C(c1ccccc1)CCl	C532274
PUBCHEM_578	Nc1ccc(cc1)Cl	C106478
PUBCHEM_578	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_578	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_578	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_578	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_578	Nc1cc(ccc1OC)C	C120718
PUBCHEM_578	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_578	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_578	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_578	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_578	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_578	Clc1c(cccc1)Cl	C95501
PUBCHEM_578	Clc1ccc(cc1)Cl	C106467
PUBCHEM_578	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_578	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_578	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_578	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_578	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_578	CN(c1ccccc1)C	C121697
PUBCHEM_578	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_578	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_578	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_578	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_578	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_578	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_578	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_578	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_578	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_578	O=Cc1ccco1	C98011
PUBCHEM_578	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_578	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_578	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_578	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_578	Oc1ccc(cc1)O	C123319
PUBCHEM_578	Oc1cccc2cccnc12	C148243
PUBCHEM_578	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_578	O=C(c1ccncc1)NN	C54853
PUBCHEM_578	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_578	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_578	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_578	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_578	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_578	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_578	Cc1cc2cccnc2cc1	C91623
PUBCHEM_578	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_578	c1c2c(ccc1)cccc2	C91203
PUBCHEM_578	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_578	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_578	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_578	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_578	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_578	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_578	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_578	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_578	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_578	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_578	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_578	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_578	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_578	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_578	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_578	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_578	Oc1ccccc1	C108952
PUBCHEM_578	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_578	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_578	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_578	Nc1cc(ccc1)N	C108452
PUBCHEM_578	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_578	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_578	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_578	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_578	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_578	Oc1cc(ccc1)O	C108463
PUBCHEM_578	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_578	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_578	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_578	C1C(c2ccccc2)O1	C96093
PUBCHEM_578	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_578	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_578	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_578	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_578	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_578	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_578	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_578	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_578	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_578	Oc1ccccc1Cl	C95578
PUBCHEM_578	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_578	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_578	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_578	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_578	n1cccc2c1cccc2	C91225
PUBCHEM_578	CCN(CC)c1ccccc1	C91667
PUBCHEM_578	Oc1c(C)cccc1	C95487
PUBCHEM_578	c1ccccc1C(=O)C	C98862
PUBCHEM_578	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_578	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_578	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_578	CCNc1cc(C)ccc1	C102272
PUBCHEM_578	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_578	Oc1ccc(C)cc1	C106445
PUBCHEM_578	Nc1ccc(C)cc1	C106490
PUBCHEM_578	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_578	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_578	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_578	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_578	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_578	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_578	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_578	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_578	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_578	Clc1cc(Cl)ccc1	C541731
PUBCHEM_578	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_578	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_578	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_578	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_578	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_578	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_578	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_578	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_578	c1(CCCC)ccccc1	C104518
PUBCHEM_578	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_578	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_578	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_578	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_578	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_578	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_578	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_578	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_578	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_578	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_578	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_578	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_578	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_578	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_578	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_578	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_578	Nc1c(OC)cccc1	C90040
PUBCHEM_578	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_578	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_578	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_578	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_578	Cc1ccccc1Cl	C95498
PUBCHEM_578	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_578	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_578	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_578	Oc1c(cccc1C)C	C576261
PUBCHEM_578	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_578	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_578	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_578	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_578	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_578	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_578	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_578	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_578	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_578	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_578	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_578	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_578	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_578	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_578	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_578	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_578	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_578	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_578	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_578	Cc1ccc(Cl)cc1	C106434
PUBCHEM_578	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_578	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_578	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_578	Nc1cc(C)ccc1N	C496720
PUBCHEM_578	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_578	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_578	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_578	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_578	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_578	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_578	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_578	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_578	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_578	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_578	N(c1ccccc1)CC	C103695
PUBCHEM_578	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_578	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_578	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_578	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_578	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_578	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_578	Nc1c(N)cccc1	C95545
PUBCHEM_578	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_578	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_578	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_578	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_578	Nc1c(cccc1)C	C95534
PUBCHEM_578	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_578	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_578	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_578	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_578	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_578	Nc1c(cccc1C)C	C87627
PUBCHEM_578	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_578	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_578	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_578	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_578	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_578	N#Cc1cnccc1	C100549
PUBCHEM_578	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_578	Nc1cccc(C)c1	C108441
PUBCHEM_578	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_578	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_578	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_578	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_578	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_578	Nc1c(CC)cccc1CC	C579668
PUBCHEM_578	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_578	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_578	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_578	Nc1cccc(C)c1N	C2687254
PUBCHEM_578	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_578	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_578	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_578	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_578	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_578	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_578	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_578	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_578	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_578	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_578	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_578	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_578	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_578	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_578	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_578	O=Cc1ccccc1C=O	C643798
PUBCHEM_578	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_578	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_578	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_578	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_578	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_578	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_578	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_578	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_578	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_578	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_578	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_578	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_578	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_578	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_578	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_578	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_578	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_578	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_578	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_578	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_578	CCCc1ccccc1	C103651
PUBCHEM_578	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_578	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_578	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_578	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_578	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_578	CC(C)(C)c1ccccc1	C98066
PUBCHEM_578	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_578	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_578	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_578	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_578	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_578	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_578	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_578	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_578	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_578	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_578	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_578	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_578	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_578	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_578	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_578	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_578	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_578	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_578	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_578	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_578	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_578	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_578	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_578	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_578	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_578	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_578	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_578	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_578	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_578	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_578	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_578	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_578	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_578	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_578	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_578	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_578	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_578	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_578	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_578	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_578	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_578	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_578	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_578	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_578	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_578	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_578	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_578	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_578	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_578	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_578	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_578	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_578	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_578	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_578	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_578	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_578	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_578	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_578	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_578	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_578	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_578	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_578	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_578	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_578	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_578	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_578	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_578	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_578	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_578	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_578	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_578	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_578	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_578	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_578	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_578	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_578	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_578	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_578	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_578	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_578	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_578	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_578	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_578	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_578	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_578	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_578	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_578	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_578	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_578	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_578	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_578	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_578	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_578	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_578	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_578	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_578	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_578	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_578	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_578	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_578	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_578	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_578	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_578	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_578	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_578	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_578	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_578	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_578	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_578	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_578	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_578	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_578	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_578	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_578	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_578	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_578	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_578	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_578	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_578	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_578	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_578	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_578	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_578	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_578	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_578	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_578	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_578	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_578	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_578	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_578	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_578	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_578	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_578	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_578	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_578	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_578	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_578	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_578	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_578	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_578	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_578	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_578	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_578	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_578	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_578	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_578	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_578	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_578	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_578	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_578	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_578	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_578	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_578	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_578	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_578	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_578	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_578	O=C(OCC)c1ccccc1	C93890
PUBCHEM_578	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_578	NCc1cccc(CN)c1	C1477550
PUBCHEM_578	n1cc(C)ccc1	C108996
PUBCHEM_578	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_578	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_578	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_578	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_578	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_578	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_578	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_578	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_578	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_578	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_578	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_578	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_578	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_578	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_578	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_578	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_578	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_578	NNc1ccccc1.Cl	C59881
PUBCHEM_578	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_578	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_578	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_578	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_578	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_578	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_578	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_578	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_578	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_578	N#Cc1ccccc1	C100470
PUBCHEM_578	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_578	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_578	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_578	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_578	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_578	Nc1ccc(Br)cc1	C106401
PUBCHEM_578	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_578	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_578	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_578	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_578	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_578	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_578	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_578	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_578	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_578	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_578	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_578	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_578	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_578	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_578	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_578	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_578	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_578	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_578	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_578	Nc1ccc(OC)cc1	C104949
PUBCHEM_578	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_578	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_578	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_578	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_578	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_578	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_578	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_578	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_578	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_578	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_578	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_578	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_578	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_578	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_578	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_578	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_578	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_578	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_578	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_578	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_578	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_578	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_578	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_578	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_578	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_578	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_578	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_578	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_578	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_578	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_578	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_578	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_578	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_578	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_578	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_578	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_578	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_578	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_578	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_578	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_578	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_578	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_578	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_578	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_578	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_578	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_578	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_578	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_578	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_578	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_578	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_578	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_578	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_578	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_578	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_578	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_578	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_578	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_578	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_578	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_578	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_578	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_578	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_578	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_578	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_578	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_578	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_578	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_578	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_578	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_578	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_578	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_578	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_578	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_578	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_578	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_578	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_578	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_578	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_578	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_578	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_578	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_578	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_578	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_578	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_578	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_578	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_578	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_578	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_578	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_578	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_578	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_578	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_578	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_578	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_578	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_578	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_578	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_578	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_578	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_578	Cl[Hg]c1ccccc1	C100561
PUBCHEM_578	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_578	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_578	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_578	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_578	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_578	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_578	O=[As]c1ccccc1	C637036
PUBCHEM_578	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_578	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_578	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_578	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_578	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_578	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_578	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_578	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_578	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_578	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_578	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_578	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_578	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_578	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_578	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_578	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_578	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_578	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_578	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_578	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_578	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_578	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_578	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_578	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_578	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_578	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_578	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_578	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_578	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_578	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_578	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_578	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_578	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_578	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_578	Nc1cccc(C)n1	C1824813
PUBCHEM_578	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_578	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_578	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_578	CC1COc2ccccc2N1	C32329207
PUBCHEM_578	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_578	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_578	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_578	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_578	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_578	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_578	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_578	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_578	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_578	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_578	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_578	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_578	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_578	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_578	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_578	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_578	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_578	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_578	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_578	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_578	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_578	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_578	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_578	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_578	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_578	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_578	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_578	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_578	CCCCCc1ccco1	C3777693
PUBCHEM_578	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_579	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_579	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_579	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_579	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_579	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_579	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_579	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_579	O=C1CCCCC1	C108941
PUBCHEM_579	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_579	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_579	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_579	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_579	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_579	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_579	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_579	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_579	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_579	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_579	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_579	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_579	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_579	NC(=O)c1cccnc1	C98920
PUBCHEM_579	OC(=O)c1cccnc1	C59676
PUBCHEM_579	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_579	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_579	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_579	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_579	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_579	O=CCc1ccccc1	C122781
PUBCHEM_579	CCCCCCCCCC=O	C112312
PUBCHEM_579	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_579	O=CCCCCCC	C111717
PUBCHEM_579	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_579	CCCCCCCCC=O	C124196
PUBCHEM_579	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_579	OC(=O)CCCC	C109524
PUBCHEM_579	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_579	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_579	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_579	O=Cc1ccccc1O	C90028
PUBCHEM_579	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_579	CCCC(=O)C	C107879
PUBCHEM_579	CCCCCC(=O)C	C110430
PUBCHEM_579	CCCCCCCCCC(=O)C	C112129
PUBCHEM_579	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_579	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_579	CCCCCC(=O)OCC	C123660
PUBCHEM_579	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_579	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_579	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_579	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_579	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_579	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_579	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_579	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_579	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_579	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_579	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_579	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_579	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_579	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_579	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_579	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_579	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_579	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_579	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_579	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_579	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_579	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_579	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_579	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_579	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_579	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_579	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_579	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_579	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_579	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_579	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_579	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_579	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_579	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_579	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_579	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_579	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_579	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_579	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_579	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_579	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_579	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_579	C(CC)(C=O)CCCC	C123057
PUBCHEM_579	CCC(=CCCC)C=O	C645625
PUBCHEM_579	c1c(CO)occ1	C98000
PUBCHEM_579	O=CCCCC=O	C111308
PUBCHEM_579	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_579	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_579	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_579	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_579	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_579	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_579	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_579	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_579	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_579	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_579	O=C(O)c1ccccc1O	C69727
PUBCHEM_579	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_579	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_579	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_579	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_579	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_579	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_579	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_579	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_579	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_579	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_579	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_579	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_579	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_579	O=C1NCCC1	C616455
PUBCHEM_579	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_579	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_579	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_579	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_579	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_579	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_579	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_579	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_579	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_579	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_579	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_579	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_579	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_579	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_579	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_579	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_579	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_579	O=C1CCCC1	C120923
PUBCHEM_579	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_579	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_579	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_579	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_579	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_579	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_579	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_579	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_579	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_579	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_579	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_579	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_579	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_579	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_579	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_579	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_579	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_579	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_579	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_579	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_579	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_579	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_579	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_579	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_579	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_579	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_579	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_579	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_579	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_579	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_579	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_579	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_579	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_579	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_579	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_579	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_579	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_579	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_579	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_579	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_579	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_579	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_579	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_579	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_579	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_579	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_579	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_579	O=C(c1ccccc1O)C	C118934
PUBCHEM_579	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_579	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_579	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_579	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_579	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_579	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_579	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_579	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_579	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_579	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_579	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_579	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_579	O=C1CCC(O1)CC	C695067
PUBCHEM_579	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_579	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_579	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_579	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_579	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_579	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_579	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_579	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_579	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_579	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_579	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_579	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_579	O=C(CCC)OCCCCC	C540181
PUBCHEM_579	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_579	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_579	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_579	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_579	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_579	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_579	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_579	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_579	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_579	O=C(CC)CCCCC	C106683
PUBCHEM_579	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_579	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_579	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_579	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_579	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_579	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_579	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_579	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_579	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_579	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_579	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_579	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_579	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_579	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_579	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_579	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_579	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_579	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_579	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_579	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_579	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_579	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_579	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_579	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_579	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_579	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_579	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_579	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_579	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_579	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_579	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_579	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_579	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_579	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_579	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_579	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_579	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_579	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_579	O=C1OC(CCC)CC1	C105215
PUBCHEM_579	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_579	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_579	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_579	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_579	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_579	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_579	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_579	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_579	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_579	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_579	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_579	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_579	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_579	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_579	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_579	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_579	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_579	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_579	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_579	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_579	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_579	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_579	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_579	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_579	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_579	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_579	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_579	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_579	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_579	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_579	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_579	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_579	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_579	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_579	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_579	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_579	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_579	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_579	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_579	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_579	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_579	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_579	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_579	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_579	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_579	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_579	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_579	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_579	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_579	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_579	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_579	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_579	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_579	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_579	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_579	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_579	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_579	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_579	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_579	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_579	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_579	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_579	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_579	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_579	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_579	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_579	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_579	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_579	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_579	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_579	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_579	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_579	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_579	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_579	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_579	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_579	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_579	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_579	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_579	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_579	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_579	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_579	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_579	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_579	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_579	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_579	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_579	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_579	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_579	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_579	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_579	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_579	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_579	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_579	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_579	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_579	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_579	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_579	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_579	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_579	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_579	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_579	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_579	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_579	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_579	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_579	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_579	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_579	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_579	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_579	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_579	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_579	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_579	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_579	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_579	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_579	c1coc2c1cccc2	C271896
PUBCHEM_579	OC(=O)c1ccccc1	C65850
PUBCHEM_579	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_579	O=C1CCCO1	C96480
PUBCHEM_579	O=C1CCCCCN1	C105602
PUBCHEM_579	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_579	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_579	O=C(c1ccccc1)CCl	C532274
PUBCHEM_579	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_579	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_579	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_579	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_579	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_579	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_579	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_579	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_579	O=Cc1ccco1	C98011
PUBCHEM_579	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_579	O=C(c1ccncc1)NN	C54853
PUBCHEM_579	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_579	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_579	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_579	O=C1N(CCC1)C	C872504
PUBCHEM_579	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_579	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_579	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_579	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_579	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_579	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_579	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_579	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_579	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_579	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_579	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_579	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_579	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_579	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_579	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_579	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_579	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_579	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_579	O=C1N(C=C)CCC1	C88120
PUBCHEM_579	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_579	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_579	OC(=O)CCC	C107926
PUBCHEM_579	CCCCCCCCCC(=O)O	C334485
PUBCHEM_579	O=C(O)CCCCCC	C111148
PUBCHEM_579	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_579	CCCCCC(=O)O	C142621
PUBCHEM_579	CCCCCCCCC(=O)O	C112050
PUBCHEM_579	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_579	CCCCCCCC=O	C124130
PUBCHEM_579	CCCCCCCC(=O)O	C124072
PUBCHEM_579	CCCCC=O	C110623
PUBCHEM_579	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_579	c1ccccc1C(=O)C	C98862
PUBCHEM_579	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_579	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_579	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_579	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_579	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_579	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_579	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_579	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_579	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_579	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_579	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_579	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_579	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_579	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_579	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_579	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_579	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_579	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_579	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_579	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_579	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_579	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_579	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_579	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_579	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_579	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_579	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_579	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_579	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_579	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_579	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_579	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_579	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_579	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_579	O=C(O)C(CCCC)CC	C149575
PUBCHEM_579	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_579	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_579	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_579	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_579	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_579	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_579	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_579	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_579	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_579	O=C(OC)CCCCCCC	C111115
PUBCHEM_579	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_579	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_579	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_579	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_579	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_579	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_579	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_579	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_579	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_579	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_579	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_579	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_579	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_579	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_579	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_579	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_579	O=Cc1ccccc1C=O	C643798
PUBCHEM_579	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_579	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_579	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_579	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_579	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_579	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_579	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_579	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_579	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_579	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_579	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_579	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_579	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_579	O=C(CCC)OCC	C105544
PUBCHEM_579	O=C(OCC)CCCCCC	C106309
PUBCHEM_579	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_579	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_579	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_579	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_579	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_579	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_579	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_579	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_579	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_579	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_579	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_579	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_579	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_579	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_579	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_579	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_579	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_579	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_579	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_579	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_579	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_579	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_579	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_579	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_579	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_579	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_579	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_579	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_579	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_579	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_579	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_579	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_579	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_579	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_579	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_579	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_579	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_579	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_579	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_579	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_579	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_579	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_579	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_579	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_579	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_579	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_579	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_579	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_579	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_579	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_579	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_579	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_579	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_579	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_579	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_579	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_579	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_579	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_579	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_579	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_579	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_579	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_579	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_579	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_579	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_579	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_579	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_579	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_579	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_579	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_579	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_579	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_579	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_579	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_579	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_579	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_579	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_579	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_579	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_579	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_579	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_579	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_579	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_579	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_579	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_579	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_579	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_579	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_579	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_579	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_579	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_579	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_579	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_579	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_579	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_579	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_579	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_579	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_579	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_579	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_579	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_579	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_579	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_579	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_579	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_579	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_579	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_579	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_579	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_579	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_579	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_579	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_579	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_579	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_579	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_579	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_579	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_579	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_579	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_579	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_579	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_579	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_579	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_579	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_579	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_579	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_579	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_579	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_579	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_579	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_579	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_579	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_579	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_579	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_579	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_579	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_579	O=C(OCC)c1ccccc1	C93890
PUBCHEM_579	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_579	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_579	CC(=O)CCC(C)C	C110123
PUBCHEM_579	CC(=O)CC(C)C	C108101
PUBCHEM_579	CCCCCC=O	C66251
PUBCHEM_579	CCCC=O	C123728
PUBCHEM_579	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_579	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_579	CC1CC(=O)O1	C3068880
PUBCHEM_579	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_579	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_579	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_579	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_579	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_579	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_579	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_579	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_579	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_579	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_579	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_579	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_579	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_579	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_579	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_579	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_579	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_579	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_579	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_579	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_579	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_579	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_579	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_579	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_579	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_579	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_579	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_579	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_579	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_579	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_579	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_579	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_579	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_579	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_579	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_579	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_579	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_579	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_579	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_579	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_579	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_579	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_579	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_579	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_579	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_579	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_579	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_579	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_579	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_579	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_579	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_579	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_579	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_579	O=CCCCCCCCCC=C	C112458
PUBCHEM_579	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_579	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_579	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_579	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_579	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_579	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_579	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_579	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_579	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_579	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_579	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_579	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_579	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_579	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_579	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_579	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_579	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_579	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_579	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_579	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_579	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_579	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_579	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_579	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_579	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_579	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_579	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_579	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_579	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_579	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_579	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_579	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_579	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_579	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_579	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_579	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_579	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_579	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_579	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_579	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_579	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_579	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_579	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_579	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_579	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_579	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_579	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_579	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_579	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_579	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_579	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_579	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_579	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_579	CCCCCc1ccco1	C3777693
PUBCHEM_579	CCC(=O)C(=O)CC	C4437518
PUBCHEM_579	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_580	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_580	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_580	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_580	NC(=O)c1cccnc1	C98920
PUBCHEM_580	OC(=O)c1cccnc1	C59676
PUBCHEM_580	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_580	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_580	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_580	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_580	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_580	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_580	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_580	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_580	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_580	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_580	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_580	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_580	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_580	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_580	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_580	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_580	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_580	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_580	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_580	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_580	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_580	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_580	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_580	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_580	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_580	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_580	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_580	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_580	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_580	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_580	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_580	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_580	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_580	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_580	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_580	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_580	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_580	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_580	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_580	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_580	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_580	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_580	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_580	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_580	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_580	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_580	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_580	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_580	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_580	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_580	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_580	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_580	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_580	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_580	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_580	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_580	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_580	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_580	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_580	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_580	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_580	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_580	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_580	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_580	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_580	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_580	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_580	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_580	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_580	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_580	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_580	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_580	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_580	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_580	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_580	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_580	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_580	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_580	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_580	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_580	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_580	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_580	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_580	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_580	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_580	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_580	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_580	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_580	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_580	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_580	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_580	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_580	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_580	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_580	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_580	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_580	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_580	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_580	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_580	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_580	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_580	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_580	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_580	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_581	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_581	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_581	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_581	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_581	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_581	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_581	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_581	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_581	O=Cc1ccccc1O	C90028
PUBCHEM_581	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_581	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_581	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_581	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_581	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_581	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_581	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_581	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_581	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_581	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_581	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_581	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_581	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_581	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_581	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_581	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_581	O=C(O)c1ccccc1O	C69727
PUBCHEM_581	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_581	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_581	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_581	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_581	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_581	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_581	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_581	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_581	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_581	O=C(c1ccccc1O)C	C118934
PUBCHEM_581	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_581	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_581	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_581	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_581	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_581	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_581	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_581	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_581	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_581	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_581	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_581	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_581	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_581	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_581	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_581	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_581	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_581	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_581	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_581	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_581	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_581	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_581	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_581	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_581	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_581	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_581	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_581	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_581	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_581	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_581	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_581	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_581	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_581	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_581	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_581	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_581	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_581	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_581	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_581	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_581	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_581	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_581	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_581	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_581	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_581	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_581	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_581	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_581	O=C(OC)CC(=O)OC	C108598
PUBCHEM_581	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_581	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_581	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_581	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_581	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_581	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_581	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_581	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_581	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_581	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_581	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_581	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_581	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_581	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_581	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_581	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_581	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_581	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_581	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_581	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_581	CC1CC(=O)O1	C3068880
PUBCHEM_581	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_581	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_581	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_581	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_581	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_581	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_581	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_581	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_581	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_581	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_581	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_581	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_581	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_581	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_581	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_581	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_581	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_581	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_581	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_581	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_581	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_581	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_581	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_581	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_581	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_581	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_581	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_581	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_582	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_582	Nc1ccccc1.Cl	C142041
PUBCHEM_582	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_582	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_582	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_582	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_582	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_582	CC(=O)OCc1ccccc1	C140114
PUBCHEM_582	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_582	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_582	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_582	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_582	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_582	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_582	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_582	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_582	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_582	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_582	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_582	O=C1CCCCC1	C108941
PUBCHEM_582	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_582	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_582	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_582	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_582	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_582	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_582	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_582	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_582	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_582	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_582	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_582	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_582	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_582	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_582	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_582	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_582	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_582	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_582	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_582	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_582	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_582	c1cccc2[nH]ccc12	C120729
PUBCHEM_582	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_582	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_582	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_582	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_582	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_582	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_582	COc1ccc(cc1)O	C150765
PUBCHEM_582	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_582	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_582	C=Cc1ccc(cc1)C	C622979
PUBCHEM_582	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_582	NC(=O)c1cccnc1	C98920
PUBCHEM_582	OC(=O)c1cccnc1	C59676
PUBCHEM_582	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_582	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_582	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_582	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_582	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_582	Nc1ccc(cc1)N	C106503
PUBCHEM_582	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_582	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_582	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_582	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_582	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_582	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_582	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_582	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_582	Nc1ccccc1C.Cl	C636215
PUBCHEM_582	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_582	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_582	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_582	O=CCc1ccccc1	C122781
PUBCHEM_582	CCCCCCCCCC=O	C112312
PUBCHEM_582	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_582	O=CCCCCCC	C111717
PUBCHEM_582	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_582	CCCCCCCCC=O	C124196
PUBCHEM_582	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_582	OC(=O)CCCC	C109524
PUBCHEM_582	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_582	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_582	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_582	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_582	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_582	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_582	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_582	O=Cc1ccccc1O	C90028
PUBCHEM_582	Oc1cccc2ccccc12	C90153
PUBCHEM_582	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_582	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_582	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_582	ON=C1CCCCC1	C100641
PUBCHEM_582	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_582	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_582	Oc1ccc(Cl)cc1	C106489
PUBCHEM_582	CC(O)CC(C)(C)O	C107415
PUBCHEM_582	CCCC(=O)C	C107879
PUBCHEM_582	C1CCCCC1O	C108930
PUBCHEM_582	CCCCCC(=O)C	C110430
PUBCHEM_582	CCCCCCO	C111273
PUBCHEM_582	CCCCCCCO	C111706
PUBCHEM_582	CCCCCCCCCC(=O)C	C112129
PUBCHEM_582	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_582	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_582	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_582	Oc1ccc(CC)cc1	C123079
PUBCHEM_582	CCCCCC(=O)OCC	C123660
PUBCHEM_582	CCCCCCCCCCCCN	C124221
PUBCHEM_582	CCCCCCCCCO	C143088
PUBCHEM_582	COc1ccc(OC)cc1	C150787
PUBCHEM_582	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_582	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_582	Oc1ccc(CCC)cc1	C645567
PUBCHEM_582	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_582	CCCCCCCCCCN	C2016571
PUBCHEM_582	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_582	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_582	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_582	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_582	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_582	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_582	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_582	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_582	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_582	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_582	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_582	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_582	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_582	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_582	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_582	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_582	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_582	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_582	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_582	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_582	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_582	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_582	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_582	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_582	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_582	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_582	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_582	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_582	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_582	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_582	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_582	c1(c(CC)cccc1)O	C90006
PUBCHEM_582	c1c(O)cccc1CC	C620177
PUBCHEM_582	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_582	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_582	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_582	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_582	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_582	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_582	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_582	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_582	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_582	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_582	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_582	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_582	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_582	c1cccc(OC)c1O	C90051
PUBCHEM_582	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_582	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_582	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_582	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_582	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_582	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_582	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_582	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_582	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_582	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_582	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_582	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_582	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_582	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_582	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_582	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_582	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_582	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_582	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_582	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_582	Cc1cc(O)ccc1	C108394
PUBCHEM_582	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_582	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_582	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_582	c1ccc2ncsc2c1	C95169
PUBCHEM_582	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_582	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_582	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_582	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_582	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_582	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_582	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_582	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_582	C(CCN)CCCN	C124094
PUBCHEM_582	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_582	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_582	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_582	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_582	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_582	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_582	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_582	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_582	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_582	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_582	Cc1c(C)cccc1O	C526750
PUBCHEM_582	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_582	C=Cc1ccccc1C=C	C1321740
PUBCHEM_582	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_582	C(CCCCCC)CCCCCS	C112550
PUBCHEM_582	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_582	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_582	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_582	C(CC)(C=O)CCCC	C123057
PUBCHEM_582	OCC(C(O)CCC)CC	C94962
PUBCHEM_582	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_582	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_582	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_582	c1c(CO)occ1	C98000
PUBCHEM_582	O=CCCCC=O	C111308
PUBCHEM_582	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_582	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_582	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_582	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_582	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_582	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_582	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_582	N#CC(CCC#N)C	C4553622
PUBCHEM_582	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_582	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_582	C(CCCCCCC)C	C111842
PUBCHEM_582	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_582	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_582	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_582	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_582	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_582	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_582	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_582	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_582	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_582	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_582	c12ccccc1CCCC2	C119642
PUBCHEM_582	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_582	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_582	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_582	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_582	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_582	Cc1cccc(C)c1	C108383
PUBCHEM_582	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_582	OCCc1ccccc1	C60128
PUBCHEM_582	O=C(O)c1ccccc1O	C69727
PUBCHEM_582	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_582	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_582	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_582	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_582	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_582	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_582	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_582	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_582	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_582	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_582	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_582	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_582	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_582	Sc1ccccc1	C108985
PUBCHEM_582	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_582	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_582	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_582	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_582	N1CCCCCC1	C111499
PUBCHEM_582	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_582	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_582	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_582	OC(CCCCCC)C	C123966
PUBCHEM_582	Oc1ccc2ccccc2c1	C135193
PUBCHEM_582	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_582	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_582	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_582	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_582	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_582	Brc1ccc(F)cc1	C460004
PUBCHEM_582	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_582	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_582	ClP(c1ccccc1)Cl	C644973
PUBCHEM_582	OC(C)COc1ccccc1	C770354
PUBCHEM_582	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_582	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_582	Nc1cccc(C)c1C	C1300738
PUBCHEM_582	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_582	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_582	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_582	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_582	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_582	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_582	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_582	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_582	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_582	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_582	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_582	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_582	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_582	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_582	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_582	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_582	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_582	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_582	Nc1c(C)cccc1CC	C24549062
PUBCHEM_582	Clc1cccc(C)c1	C25168052
PUBCHEM_582	SC(C)(C)CCCCCC	C25360105
PUBCHEM_582	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_582	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_582	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_582	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_582	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_582	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_582	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_582	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_582	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_582	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_582	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_582	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_582	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_582	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_582	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_582	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_582	OCC1OCCC1	C97994
PUBCHEM_582	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_582	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_582	O=C1CCCC1	C120923
PUBCHEM_582	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_582	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_582	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_582	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_582	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_582	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_582	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_582	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_582	OCC(CCC)CCCCC	C10042598
PUBCHEM_582	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_582	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_582	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_582	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_582	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_582	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_582	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_582	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_582	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_582	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_582	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_582	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_582	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_582	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_582	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_582	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_582	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_582	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_582	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_582	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_582	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_582	OCn1nc(C)cc1C	C85264331
PUBCHEM_582	OCCSCCCCCCCC	C3547339
PUBCHEM_582	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_582	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_582	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_582	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_582	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_582	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_582	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_582	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_582	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_582	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_582	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_582	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_582	OC1CCCC1	C96413
PUBCHEM_582	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_582	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_582	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_582	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_582	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_582	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_582	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_582	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_582	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_582	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_582	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_582	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_582	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_582	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_582	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_582	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_582	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_582	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_582	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_582	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_582	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_582	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_582	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_582	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_582	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_582	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_582	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_582	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_582	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_582	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_582	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_582	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_582	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_582	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_582	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_582	OC(CCCCC)C=C	C3391864
PUBCHEM_582	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_582	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_582	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_582	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_582	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_582	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_582	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_582	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_582	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_582	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_582	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_582	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_582	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_582	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_582	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_582	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_582	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_582	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_582	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_582	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_582	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_582	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_582	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_582	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_582	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_582	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_582	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_582	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_582	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_582	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_582	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_582	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_582	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_582	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_582	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_582	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_582	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_582	O=C(c1ccccc1O)C	C118934
PUBCHEM_582	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_582	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_582	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_582	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_582	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_582	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_582	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_582	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_582	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_582	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_582	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_582	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_582	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_582	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_582	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_582	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_582	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_582	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_582	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_582	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_582	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_582	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_582	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_582	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_582	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_582	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_582	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_582	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_582	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_582	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_582	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_582	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_582	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_582	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_582	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_582	Oc1ccccc1CN(C)C	C120650
PUBCHEM_582	O=C1CCC(O1)CC	C695067
PUBCHEM_582	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_582	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_582	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_582	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_582	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_582	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_582	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_582	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_582	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_582	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_582	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_582	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_582	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_582	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_582	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_582	OCC=Cc1ccccc1	C104541
PUBCHEM_582	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_582	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_582	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_582	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_582	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_582	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_582	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_582	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_582	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_582	O=C(CCC)OCCCCC	C540181
PUBCHEM_582	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_582	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_582	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_582	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_582	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_582	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_582	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_582	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_582	N#Cc1c(O)cccc1	C611201
PUBCHEM_582	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_582	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_582	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_582	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_582	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_582	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_582	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_582	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_582	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_582	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_582	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_582	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_582	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_582	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_582	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_582	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_582	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_582	OCCOCC(CC)CCCC	C1559359
PUBCHEM_582	O=C(CC)CCCCC	C106683
PUBCHEM_582	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_582	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_582	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_582	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_582	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_582	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_582	c12ccccc1CC=C2	C95136
PUBCHEM_582	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_582	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_582	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_582	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_582	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_582	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_582	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_582	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_582	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_582	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_582	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_582	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_582	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_582	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_582	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_582	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_582	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_582	Oc1c(OCC)cccc1	C94713
PUBCHEM_582	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_582	COc1ccc(CCC)cc1	C104450
PUBCHEM_582	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_582	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_582	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_582	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_582	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_582	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_582	OC(CO)c1ccccc1	C93561
PUBCHEM_582	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_582	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_582	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_582	CCO[Si](CCCCC)(OCC)OCC	C2761242
PUBCHEM_582	O=C(N)Nc1ccccc1	C64108
PUBCHEM_582	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_582	O=C(C)OCCCCCCCC	C112141
PUBCHEM_582	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_582	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_582	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_582	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_582	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_582	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_582	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_582	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_582	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_582	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_582	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_582	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_582	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_582	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_582	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_582	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_582	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_582	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_582	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_582	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_582	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_582	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_582	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_582	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_582	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_582	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_582	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_582	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_582	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_582	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_582	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_582	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_582	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_582	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_582	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_582	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_582	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_582	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_582	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_582	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_582	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_582	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_582	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_582	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_582	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_582	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_582	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_582	O=C1OC(CCC)CC1	C105215
PUBCHEM_582	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_582	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_582	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_582	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_582	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_582	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_582	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_582	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_582	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_582	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_582	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_582	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_582	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_582	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_582	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_582	Sc1ccc(C)cc1	C106456
PUBCHEM_582	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_582	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_582	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_582	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_582	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_582	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_582	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_582	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_582	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_582	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_582	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_582	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_582	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_582	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_582	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_582	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_582	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_582	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_582	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_582	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_582	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_582	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_582	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_582	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_582	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_582	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_582	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_582	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_582	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_582	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_582	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_582	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_582	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_582	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_582	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_582	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_582	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_582	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_582	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_582	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_582	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_582	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_582	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_582	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_582	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_582	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_582	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_582	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_582	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_582	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_582	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_582	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_582	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_582	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_582	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_582	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_582	c1ccccc1OCCO	C122996
PUBCHEM_582	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_582	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_582	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_582	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_582	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_582	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_582	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_582	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_582	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_582	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_582	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_582	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_582	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_582	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_582	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_582	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_582	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_582	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_582	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_582	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_582	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_582	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_582	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_582	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_582	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_582	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_582	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_582	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_582	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_582	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_582	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_582	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_582	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_582	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_582	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_582	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_582	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_582	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_582	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_582	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_582	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_582	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_582	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_582	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_582	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_582	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_582	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_582	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_582	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_582	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_582	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_582	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_582	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_582	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_582	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_582	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_582	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_582	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_582	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_582	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_582	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_582	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_582	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_582	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_582	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_582	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_582	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_582	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_582	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_582	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_582	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_582	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_582	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_582	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_582	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_582	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_582	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_582	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_582	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_582	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_582	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_582	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_582	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_582	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_582	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_582	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_582	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_582	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_582	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_582	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_582	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_582	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_582	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_582	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_582	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_582	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_582	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_582	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_582	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_582	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_582	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_582	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_582	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_582	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_582	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_582	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_582	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_582	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_582	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_582	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_582	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_582	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_582	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_582	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_582	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_582	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_582	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_582	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_582	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_582	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_582	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_582	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_582	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_582	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_582	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_582	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_582	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_582	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_582	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_582	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_582	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_582	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_582	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_582	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_582	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_582	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_582	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_582	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_582	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_582	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_582	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_582	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_582	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_582	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_582	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_582	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_582	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_582	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_582	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_582	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_582	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_582	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_582	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_582	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_582	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_582	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_582	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_582	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_582	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_582	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_582	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_582	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_582	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_582	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_582	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_582	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_582	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_582	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_582	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_582	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_582	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_582	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_582	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_582	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_582	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_582	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_582	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_582	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_582	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_582	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_582	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_582	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_582	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_582	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_582	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_582	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_582	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_582	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_582	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_582	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_582	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_582	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_582	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_582	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_582	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_582	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_582	c1coc2c1cccc2	C271896
PUBCHEM_582	OC(=O)c1ccccc1	C65850
PUBCHEM_582	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_582	OCc1ccccc1	C100516
PUBCHEM_582	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_582	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_582	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_582	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_582	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_582	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_582	O=C1CCCCCN1	C105602
PUBCHEM_582	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_582	Oc1c(cccc1)O	C120809
PUBCHEM_582	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_582	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_582	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_582	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_582	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_582	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_582	O=C(c1ccccc1)CCl	C532274
PUBCHEM_582	Nc1ccc(cc1)Cl	C106478
PUBCHEM_582	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_582	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_582	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_582	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_582	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_582	Nc1cc(ccc1OC)C	C120718
PUBCHEM_582	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_582	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_582	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_582	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_582	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_582	Clc1c(cccc1)Cl	C95501
PUBCHEM_582	Clc1ccc(cc1)Cl	C106467
PUBCHEM_582	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_582	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_582	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_582	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_582	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_582	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_582	CN(c1ccccc1)C	C121697
PUBCHEM_582	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_582	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_582	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_582	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_582	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_582	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_582	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_582	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_582	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_582	CCC(CCCC)CO	C104767
PUBCHEM_582	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_582	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_582	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_582	O=Cc1ccco1	C98011
PUBCHEM_582	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_582	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_582	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_582	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_582	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_582	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_582	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_582	Oc1ccc(cc1)O	C123319
PUBCHEM_582	Oc1cccc2cccnc12	C148243
PUBCHEM_582	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_582	O=C(c1ccncc1)NN	C54853
PUBCHEM_582	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_582	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_582	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_582	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_582	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_582	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_582	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_582	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_582	Cc1cc2cccnc2cc1	C91623
PUBCHEM_582	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_582	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_582	c1c2c(ccc1)cccc2	C91203
PUBCHEM_582	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_582	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_582	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_582	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_582	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_582	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_582	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_582	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_582	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_582	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_582	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_582	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_582	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_582	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_582	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_582	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_582	Oc1ccccc1	C108952
PUBCHEM_582	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_582	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_582	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_582	Nc1cc(ccc1)N	C108452
PUBCHEM_582	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_582	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_582	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_582	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_582	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_582	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_582	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_582	Oc1cc(ccc1)O	C108463
PUBCHEM_582	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_582	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_582	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_582	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_582	C1C(c2ccccc2)O1	C96093
PUBCHEM_582	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_582	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_582	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_582	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_582	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_582	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_582	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_582	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_582	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_582	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_582	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_582	Oc1ccccc1Cl	C95578
PUBCHEM_582	CCCCCCCCCC(=O)O	C334485
PUBCHEM_582	O=C(O)CCCCCC	C111148
PUBCHEM_582	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_582	CCCCCC(=O)O	C142621
PUBCHEM_582	CCCCCCCCC(=O)O	C112050
PUBCHEM_582	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_582	CCCCCCCC=O	C124130
PUBCHEM_582	CCCCCCCC(=O)O	C124072
PUBCHEM_582	CCCCC=O	C110623
PUBCHEM_582	CCCCCCCCCCC	C1120214
PUBCHEM_582	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_582	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_582	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_582	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_582	n1cccc2c1cccc2	C91225
PUBCHEM_582	CCN(CC)c1ccccc1	C91667
PUBCHEM_582	Oc1c(C)cccc1	C95487
PUBCHEM_582	c1ccccc1C(=O)C	C98862
PUBCHEM_582	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_582	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_582	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_582	CCNc1cc(C)ccc1	C102272
PUBCHEM_582	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_582	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_582	Oc1ccc(C)cc1	C106445
PUBCHEM_582	Nc1ccc(C)cc1	C106490
PUBCHEM_582	N#CCCCCC#N	C111693
PUBCHEM_582	CCCCCCCCO	C111875
PUBCHEM_582	CCCCCCCCCCO	C112301
PUBCHEM_582	CCCCCCCCCCCCCO	C112709
PUBCHEM_582	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_582	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_582	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_582	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_582	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_582	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_582	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_582	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_582	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_582	Clc1cc(Cl)ccc1	C541731
PUBCHEM_582	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_582	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_582	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_582	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_582	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_582	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_582	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_582	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_582	c1(CCCC)ccccc1	C104518
PUBCHEM_582	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_582	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_582	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_582	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_582	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_582	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_582	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_582	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_582	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_582	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_582	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_582	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_582	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_582	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_582	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_582	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_582	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_582	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_582	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_582	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_582	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_582	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_582	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_582	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_582	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_582	Nc1c(OC)cccc1	C90040
PUBCHEM_582	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_582	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_582	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_582	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_582	Cc1ccccc1Cl	C95498
PUBCHEM_582	NC1CCCCC1	C108918
PUBCHEM_582	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_582	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_582	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_582	Oc1c(cccc1C)C	C576261
PUBCHEM_582	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_582	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_582	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_582	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_582	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_582	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_582	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_582	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_582	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_582	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_582	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_582	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_582	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_582	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_582	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_582	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_582	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_582	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_582	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_582	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_582	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_582	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_582	Cc1ccc(Cl)cc1	C106434
PUBCHEM_582	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_582	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_582	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_582	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_582	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_582	C(CCCCCCCC)C	C124185
PUBCHEM_582	Nc1cc(C)ccc1N	C496720
PUBCHEM_582	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_582	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_582	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_582	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_582	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_582	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_582	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_582	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_582	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_582	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_582	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_582	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_582	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_582	N(c1ccccc1)CC	C103695
PUBCHEM_582	O=C(O)C(CCCC)CC	C149575
PUBCHEM_582	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_582	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_582	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_582	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_582	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_582	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_582	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_582	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_582	Nc1c(N)cccc1	C95545
PUBCHEM_582	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_582	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_582	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_582	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_582	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_582	Nc1c(cccc1)C	C95534
PUBCHEM_582	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_582	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_582	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_582	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_582	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_582	Nc1c(cccc1C)C	C87627
PUBCHEM_582	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_582	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_582	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_582	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_582	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_582	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_582	N#Cc1cnccc1	C100549
PUBCHEM_582	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_582	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_582	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_582	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_582	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_582	OC(CC(C)C)C	C108112
PUBCHEM_582	Nc1cccc(C)c1	C108441
PUBCHEM_582	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_582	O=C(OC)CCCCCCC	C111115
PUBCHEM_582	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_582	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_582	OCCOCCCCCC	C112254
PUBCHEM_582	OCCCCCCCCCCC	C112425
PUBCHEM_582	OCCCCCCCCCCCC	C112538
PUBCHEM_582	OCCCCCCCCCCCCCC	C112721
PUBCHEM_582	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_582	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_582	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_582	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_582	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_582	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_582	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_582	Nc1c(CC)cccc1CC	C579668
PUBCHEM_582	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_582	O=C(C)OCCCCC	C628637
PUBCHEM_582	CCCCCCCCCCCCCCC	C629629
PUBCHEM_582	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_582	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_582	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_582	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_582	Nc1cccc(C)c1N	C2687254
PUBCHEM_582	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_582	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_582	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_582	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_582	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_582	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_582	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_582	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_582	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_582	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_582	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_582	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_582	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_582	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_582	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_582	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_582	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_582	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_582	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_582	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_582	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_582	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_582	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_582	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_582	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_582	O=Cc1ccccc1C=O	C643798
PUBCHEM_582	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_582	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_582	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_582	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_582	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_582	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_582	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_582	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_582	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_582	CCCCCCCCN(C)C	C7378996
PUBCHEM_582	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_582	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_582	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_582	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_582	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_582	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_582	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_582	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_582	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_582	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_582	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_582	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_582	O=C(OCC)CCCCCC	C106309
PUBCHEM_582	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_582	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_582	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_582	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_582	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_582	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_582	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_582	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_582	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_582	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_582	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_582	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_582	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_582	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_582	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_582	CCCc1ccccc1	C103651
PUBCHEM_582	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_582	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_582	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_582	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_582	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_582	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_582	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_582	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_582	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_582	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_582	CC(C)(C)c1ccccc1	C98066
PUBCHEM_582	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_582	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_582	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_582	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_582	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_582	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_582	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_582	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_582	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_582	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_582	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_582	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_582	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_582	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_582	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_582	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_582	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_582	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_582	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_582	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_582	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_582	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_582	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_582	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_582	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_582	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_582	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_582	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_582	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_582	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_582	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_582	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_582	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_582	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_582	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_582	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_582	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_582	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_582	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_582	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_582	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_582	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_582	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_582	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_582	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_582	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_582	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_582	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_582	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_582	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_582	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_582	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_582	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_582	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_582	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_582	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_582	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_582	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_582	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_582	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_582	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_582	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_582	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_582	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_582	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_582	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_582	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_582	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_582	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_582	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_582	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_582	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_582	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_582	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_582	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_582	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_582	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_582	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_582	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_582	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_582	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_582	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_582	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_582	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_582	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_582	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_582	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_582	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_582	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_582	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_582	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_582	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_582	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_582	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_582	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_582	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_582	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_582	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_582	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_582	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_582	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_582	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_582	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_582	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_582	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_582	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_582	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_582	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_582	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_582	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_582	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_582	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_582	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_582	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_582	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_582	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_582	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_582	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_582	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_582	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_582	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_582	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_582	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_582	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_582	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_582	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_582	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_582	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_582	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_582	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_582	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_582	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_582	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_582	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_582	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_582	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_582	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_582	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_582	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_582	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_582	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_582	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_582	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_582	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_582	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_582	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_582	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_582	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_582	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_582	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_582	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_582	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_582	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_582	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_582	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_582	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_582	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_582	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_582	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_582	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_582	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_582	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_582	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_582	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_582	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_582	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_582	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_582	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_582	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_582	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_582	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_582	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_582	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_582	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_582	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_582	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_582	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_582	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_582	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_582	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_582	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_582	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_582	O=C(OCC)c1ccccc1	C93890
PUBCHEM_582	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_582	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_582	NCc1cccc(CN)c1	C1477550
PUBCHEM_582	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_582	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_582	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_582	CC(=O)CCC(C)C	C110123
PUBCHEM_582	n1cc(C)ccc1	C108996
PUBCHEM_582	CC(=O)CC(C)C	C108101
PUBCHEM_582	CCCCCC=O	C66251
PUBCHEM_582	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_582	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_582	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_582	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_582	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_582	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_582	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_582	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_582	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_582	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_582	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_582	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_582	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_582	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_582	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_582	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_582	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_582	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_582	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_582	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_582	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_582	NNc1ccccc1.Cl	C59881
PUBCHEM_582	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_582	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_582	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_582	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_582	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_582	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_582	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_582	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_582	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_582	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_582	N#Cc1ccccc1	C100470
PUBCHEM_582	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_582	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_582	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_582	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_582	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_582	Nc1ccc(Br)cc1	C106401
PUBCHEM_582	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_582	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_582	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_582	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_582	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_582	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_582	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_582	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_582	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_582	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_582	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_582	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_582	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_582	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_582	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_582	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_582	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_582	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_582	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_582	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_582	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_582	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_582	Nc1ccc(OC)cc1	C104949
PUBCHEM_582	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_582	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_582	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_582	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_582	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_582	O=CC=CC=CCCCCC	C25152845
PUBCHEM_582	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_582	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_582	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_582	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_582	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_582	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_582	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_582	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_582	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_582	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_582	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_582	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_582	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_582	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_582	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_582	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_582	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_582	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_582	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_582	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_582	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_582	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_582	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_582	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_582	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_582	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_582	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_582	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_582	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_582	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_582	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_582	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_582	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_582	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_582	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_582	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_582	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_582	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_582	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_582	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_582	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_582	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_582	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_582	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_582	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_582	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_582	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_582	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_582	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_582	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_582	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_582	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_582	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_582	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_582	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_582	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_582	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_582	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_582	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_582	O=CCCCCCCCCC=C	C112458
PUBCHEM_582	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_582	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_582	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_582	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_582	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_582	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_582	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_582	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_582	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_582	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_582	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_582	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_582	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_582	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_582	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_582	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_582	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_582	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_582	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_582	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_582	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_582	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_582	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_582	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_582	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_582	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_582	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_582	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_582	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_582	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_582	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_582	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_582	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_582	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_582	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_582	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_582	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_582	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_582	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_582	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_582	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_582	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_582	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_582	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_582	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_582	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_582	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_582	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_582	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_582	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_582	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_582	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_582	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_582	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_582	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_582	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_582	Cl[Hg]c1ccccc1	C100561
PUBCHEM_582	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_582	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_582	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_582	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_582	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_582	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_582	O=[As]c1ccccc1	C637036
PUBCHEM_582	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_582	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_582	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_582	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_582	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_582	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_582	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_582	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_582	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_582	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_582	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_582	O=CN1CCCCC1	C2591868
PUBCHEM_582	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_582	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_582	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_582	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_582	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_582	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_582	BrCCCCCCCCCCCC	C143157
PUBCHEM_582	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_582	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_582	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_582	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_582	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_582	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_582	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_582	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_582	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_582	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_582	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_582	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_582	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_582	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_582	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_582	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_582	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_582	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_582	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_582	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_582	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_582	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_582	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_582	NCCCOCCCCCCCC	C15930662
PUBCHEM_582	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_582	Nc1cccc(C)n1	C1824813
PUBCHEM_582	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_582	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_582	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_582	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_582	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_582	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_582	CC1COc2ccccc2N1	C32329207
PUBCHEM_582	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_582	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_582	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_582	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_582	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_582	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_582	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_582	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_582	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_582	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_582	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_582	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_582	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_582	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_582	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_582	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_582	SC1CCCC1	C1679078
PUBCHEM_582	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_582	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_582	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_582	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_582	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_582	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_582	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_582	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_582	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_582	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_582	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_582	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_582	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_582	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_582	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_582	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_582	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_582	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_582	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_582	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_582	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_582	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_582	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_582	CCCCCc1ccco1	C3777693
PUBCHEM_582	CCC(=O)C(=O)CC	C4437518
PUBCHEM_582	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_583	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_583	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_583	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_583	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_583	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_583	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_583	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_583	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_583	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_583	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_583	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_583	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_583	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_583	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_583	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_583	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_583	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_583	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_583	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_583	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_583	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_583	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_583	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_583	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_583	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_583	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_583	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_583	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_583	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_583	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_583	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_583	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_583	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_583	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_583	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_583	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_583	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_583	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_583	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_583	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_584	Nc1ccccc1.Cl	C142041
PUBCHEM_584	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_584	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_584	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_584	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_584	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_584	CC(=O)OCc1ccccc1	C140114
PUBCHEM_584	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_584	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_584	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_584	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_584	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_584	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_584	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_584	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_584	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_584	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_584	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_584	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_584	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_584	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_584	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_584	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_584	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_584	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_584	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_584	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_584	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_584	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_584	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_584	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_584	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_584	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_584	c1cccc2[nH]ccc12	C120729
PUBCHEM_584	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_584	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_584	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_584	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_584	COc1ccc(cc1)O	C150765
PUBCHEM_584	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_584	C=Cc1ccc(cc1)C	C622979
PUBCHEM_584	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_584	NC(=O)c1cccnc1	C98920
PUBCHEM_584	OC(=O)c1cccnc1	C59676
PUBCHEM_584	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_584	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_584	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_584	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_584	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_584	Nc1ccc(cc1)N	C106503
PUBCHEM_584	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_584	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_584	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_584	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_584	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_584	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_584	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_584	Nc1ccccc1C.Cl	C636215
PUBCHEM_584	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_584	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_584	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_584	O=CCc1ccccc1	C122781
PUBCHEM_584	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_584	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_584	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_584	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_584	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_584	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_584	O=Cc1ccccc1O	C90028
PUBCHEM_584	Oc1cccc2ccccc12	C90153
PUBCHEM_584	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_584	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_584	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_584	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_584	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_584	Oc1ccc(Cl)cc1	C106489
PUBCHEM_584	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_584	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_584	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_584	Oc1ccc(CC)cc1	C123079
PUBCHEM_584	COc1ccc(OC)cc1	C150787
PUBCHEM_584	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_584	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_584	Oc1ccc(CCC)cc1	C645567
PUBCHEM_584	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_584	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_584	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_584	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_584	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_584	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_584	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_584	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_584	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_584	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_584	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_584	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_584	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_584	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_584	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_584	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_584	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_584	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_584	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_584	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_584	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_584	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_584	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_584	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_584	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_584	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_584	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_584	c1(c(CC)cccc1)O	C90006
PUBCHEM_584	c1c(O)cccc1CC	C620177
PUBCHEM_584	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_584	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_584	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_584	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_584	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_584	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_584	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_584	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_584	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_584	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_584	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_584	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_584	c1cccc(OC)c1O	C90051
PUBCHEM_584	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_584	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_584	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_584	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_584	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_584	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_584	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_584	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_584	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_584	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_584	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_584	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_584	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_584	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_584	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_584	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_584	Cc1cc(O)ccc1	C108394
PUBCHEM_584	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_584	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_584	c1ccc2ncsc2c1	C95169
PUBCHEM_584	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_584	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_584	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_584	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_584	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_584	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_584	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_584	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_584	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_584	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_584	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_584	Cc1c(C)cccc1O	C526750
PUBCHEM_584	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_584	C=Cc1ccccc1C=C	C1321740
PUBCHEM_584	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_584	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_584	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_584	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_584	c1c(CO)occ1	C98000
PUBCHEM_584	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_584	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_584	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_584	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_584	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_584	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_584	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_584	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_584	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_584	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_584	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_584	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_584	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_584	c12ccccc1CCCC2	C119642
PUBCHEM_584	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_584	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_584	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_584	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_584	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_584	Cc1cccc(C)c1	C108383
PUBCHEM_584	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_584	OCCc1ccccc1	C60128
PUBCHEM_584	O=C(O)c1ccccc1O	C69727
PUBCHEM_584	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_584	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_584	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_584	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_584	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_584	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_584	Sc1ccccc1	C108985
PUBCHEM_584	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_584	Oc1ccc2ccccc2c1	C135193
PUBCHEM_584	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_584	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_584	Brc1ccc(F)cc1	C460004
PUBCHEM_584	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_584	ClP(c1ccccc1)Cl	C644973
PUBCHEM_584	OC(C)COc1ccccc1	C770354
PUBCHEM_584	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_584	Nc1cccc(C)c1C	C1300738
PUBCHEM_584	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_584	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_584	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_584	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_584	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_584	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_584	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_584	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_584	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_584	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_584	Nc1c(C)cccc1CC	C24549062
PUBCHEM_584	Clc1cccc(C)c1	C25168052
PUBCHEM_584	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_584	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_584	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_584	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_584	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_584	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_584	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_584	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_584	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_584	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_584	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_584	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_584	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_584	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_584	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_584	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_584	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_584	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_584	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_584	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_584	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_584	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_584	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_584	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_584	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_584	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_584	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_584	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_584	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_584	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_584	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_584	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_584	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_584	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_584	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_584	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_584	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_584	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_584	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_584	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_584	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_584	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_584	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_584	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_584	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_584	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_584	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_584	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_584	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_584	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_584	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_584	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_584	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_584	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_584	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_584	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_584	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_584	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_584	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_584	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_584	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_584	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_584	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_584	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_584	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_584	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_584	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_584	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_584	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_584	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_584	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_584	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_584	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_584	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_584	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_584	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_584	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_584	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_584	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_584	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_584	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_584	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_584	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_584	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_584	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_584	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_584	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_584	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_584	O=C(c1ccccc1O)C	C118934
PUBCHEM_584	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_584	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_584	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_584	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_584	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_584	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_584	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_584	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_584	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_584	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_584	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_584	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_584	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_584	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_584	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_584	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_584	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_584	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_584	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_584	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_584	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_584	Oc1ccccc1CN(C)C	C120650
PUBCHEM_584	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_584	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_584	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_584	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_584	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_584	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_584	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_584	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_584	OCC=Cc1ccccc1	C104541
PUBCHEM_584	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_584	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_584	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_584	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_584	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_584	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_584	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_584	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_584	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_584	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_584	N#Cc1c(O)cccc1	C611201
PUBCHEM_584	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_584	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_584	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_584	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_584	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_584	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_584	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_584	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_584	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_584	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_584	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_584	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_584	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_584	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_584	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_584	c12ccccc1CC=C2	C95136
PUBCHEM_584	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_584	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_584	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_584	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_584	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_584	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_584	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_584	Oc1c(OCC)cccc1	C94713
PUBCHEM_584	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_584	COc1ccc(CCC)cc1	C104450
PUBCHEM_584	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_584	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_584	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_584	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_584	OC(CO)c1ccccc1	C93561
PUBCHEM_584	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_584	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_584	O=C(N)Nc1ccccc1	C64108
PUBCHEM_584	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_584	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_584	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_584	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_584	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_584	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_584	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_584	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_584	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_584	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_584	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_584	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_584	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_584	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_584	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_584	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_584	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_584	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_584	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_584	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_584	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_584	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_584	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_584	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_584	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_584	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_584	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_584	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_584	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_584	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_584	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_584	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_584	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_584	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_584	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_584	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_584	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_584	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_584	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_584	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_584	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_584	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_584	Sc1ccc(C)cc1	C106456
PUBCHEM_584	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_584	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_584	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_584	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_584	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_584	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_584	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_584	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_584	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_584	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_584	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_584	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_584	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_584	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_584	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_584	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_584	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_584	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_584	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_584	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_584	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_584	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_584	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_584	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_584	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_584	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_584	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_584	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_584	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_584	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_584	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_584	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_584	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_584	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_584	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_584	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_584	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_584	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_584	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_584	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_584	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_584	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_584	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_584	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_584	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_584	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_584	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_584	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_584	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_584	c1ccccc1OCCO	C122996
PUBCHEM_584	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_584	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_584	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_584	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_584	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_584	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_584	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_584	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_584	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_584	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_584	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_584	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_584	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_584	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_584	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_584	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_584	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_584	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_584	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_584	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_584	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_584	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_584	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_584	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_584	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_584	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_584	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_584	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_584	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_584	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_584	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_584	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_584	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_584	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_584	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_584	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_584	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_584	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_584	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_584	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_584	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_584	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_584	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_584	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_584	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_584	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_584	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_584	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_584	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_584	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_584	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_584	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_584	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_584	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_584	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_584	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_584	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_584	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_584	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_584	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_584	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_584	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_584	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_584	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_584	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_584	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_584	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_584	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_584	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_584	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_584	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_584	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_584	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_584	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_584	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_584	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_584	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_584	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_584	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_584	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_584	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_584	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_584	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_584	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_584	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_584	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_584	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_584	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_584	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_584	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_584	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_584	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_584	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_584	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_584	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_584	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_584	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_584	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_584	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_584	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_584	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_584	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_584	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_584	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_584	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_584	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_584	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_584	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_584	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_584	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_584	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_584	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_584	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_584	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_584	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_584	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_584	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_584	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_584	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_584	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_584	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_584	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_584	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_584	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_584	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_584	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_584	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_584	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_584	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_584	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_584	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_584	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_584	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_584	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_584	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_584	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_584	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_584	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_584	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_584	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_584	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_584	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_584	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_584	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_584	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_584	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_584	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_584	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_584	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_584	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_584	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_584	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_584	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_584	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_584	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_584	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_584	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_584	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_584	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_584	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_584	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_584	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_584	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_584	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_584	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_584	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_584	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_584	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_584	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_584	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_584	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_584	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_584	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_584	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_584	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_584	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_584	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_584	c1coc2c1cccc2	C271896
PUBCHEM_584	OC(=O)c1ccccc1	C65850
PUBCHEM_584	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_584	OCc1ccccc1	C100516
PUBCHEM_584	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_584	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_584	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_584	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_584	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_584	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_584	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_584	Oc1c(cccc1)O	C120809
PUBCHEM_584	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_584	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_584	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_584	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_584	O=C(c1ccccc1)CCl	C532274
PUBCHEM_584	Nc1ccc(cc1)Cl	C106478
PUBCHEM_584	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_584	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_584	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_584	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_584	Nc1cc(ccc1OC)C	C120718
PUBCHEM_584	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_584	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_584	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_584	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_584	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_584	Clc1c(cccc1)Cl	C95501
PUBCHEM_584	Clc1ccc(cc1)Cl	C106467
PUBCHEM_584	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_584	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_584	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_584	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_584	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_584	CN(c1ccccc1)C	C121697
PUBCHEM_584	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_584	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_584	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_584	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_584	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_584	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_584	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_584	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_584	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_584	O=Cc1ccco1	C98011
PUBCHEM_584	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_584	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_584	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_584	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_584	Oc1ccc(cc1)O	C123319
PUBCHEM_584	Oc1cccc2cccnc12	C148243
PUBCHEM_584	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_584	O=C(c1ccncc1)NN	C54853
PUBCHEM_584	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_584	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_584	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_584	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_584	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_584	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_584	Cc1cc2cccnc2cc1	C91623
PUBCHEM_584	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_584	c1c2c(ccc1)cccc2	C91203
PUBCHEM_584	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_584	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_584	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_584	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_584	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_584	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_584	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_584	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_584	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_584	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_584	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_584	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_584	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_584	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_584	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_584	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_584	Oc1ccccc1	C108952
PUBCHEM_584	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_584	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_584	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_584	Nc1cc(ccc1)N	C108452
PUBCHEM_584	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_584	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_584	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_584	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_584	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_584	Oc1cc(ccc1)O	C108463
PUBCHEM_584	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_584	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_584	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_584	C1C(c2ccccc2)O1	C96093
PUBCHEM_584	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_584	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_584	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_584	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_584	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_584	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_584	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_584	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_584	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_584	Oc1ccccc1Cl	C95578
PUBCHEM_584	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_584	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_584	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_584	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_584	n1cccc2c1cccc2	C91225
PUBCHEM_584	CCN(CC)c1ccccc1	C91667
PUBCHEM_584	Oc1c(C)cccc1	C95487
PUBCHEM_584	c1ccccc1C(=O)C	C98862
PUBCHEM_584	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_584	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_584	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_584	CCNc1cc(C)ccc1	C102272
PUBCHEM_584	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_584	Oc1ccc(C)cc1	C106445
PUBCHEM_584	Nc1ccc(C)cc1	C106490
PUBCHEM_584	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_584	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_584	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_584	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_584	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_584	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_584	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_584	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_584	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_584	Clc1cc(Cl)ccc1	C541731
PUBCHEM_584	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_584	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_584	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_584	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_584	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_584	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_584	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_584	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_584	c1(CCCC)ccccc1	C104518
PUBCHEM_584	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_584	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_584	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_584	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_584	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_584	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_584	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_584	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_584	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_584	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_584	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_584	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_584	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_584	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_584	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_584	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_584	Nc1c(OC)cccc1	C90040
PUBCHEM_584	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_584	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_584	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_584	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_584	Cc1ccccc1Cl	C95498
PUBCHEM_584	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_584	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_584	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_584	Oc1c(cccc1C)C	C576261
PUBCHEM_584	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_584	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_584	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_584	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_584	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_584	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_584	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_584	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_584	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_584	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_584	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_584	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_584	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_584	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_584	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_584	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_584	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_584	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_584	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_584	Cc1ccc(Cl)cc1	C106434
PUBCHEM_584	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_584	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_584	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_584	Nc1cc(C)ccc1N	C496720
PUBCHEM_584	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_584	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_584	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_584	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_584	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_584	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_584	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_584	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_584	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_584	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_584	N(c1ccccc1)CC	C103695
PUBCHEM_584	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_584	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_584	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_584	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_584	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_584	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_584	Nc1c(N)cccc1	C95545
PUBCHEM_584	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_584	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_584	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_584	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_584	Nc1c(cccc1)C	C95534
PUBCHEM_584	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_584	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_584	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_584	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_584	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_584	Nc1c(cccc1C)C	C87627
PUBCHEM_584	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_584	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_584	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_584	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_584	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_584	N#Cc1cnccc1	C100549
PUBCHEM_584	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_584	Nc1cccc(C)c1	C108441
PUBCHEM_584	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_584	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_584	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_584	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_584	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_584	Nc1c(CC)cccc1CC	C579668
PUBCHEM_584	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_584	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_584	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_584	Nc1cccc(C)c1N	C2687254
PUBCHEM_584	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_584	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_584	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_584	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_584	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_584	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_584	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_584	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_584	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_584	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_584	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_584	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_584	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_584	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_584	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_584	O=Cc1ccccc1C=O	C643798
PUBCHEM_584	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_584	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_584	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_584	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_584	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_584	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_584	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_584	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_584	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_584	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_584	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_584	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_584	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_584	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_584	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_584	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_584	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_584	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_584	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_584	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_584	CCCc1ccccc1	C103651
PUBCHEM_584	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_584	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_584	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_584	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_584	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_584	CC(C)(C)c1ccccc1	C98066
PUBCHEM_584	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_584	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_584	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_584	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_584	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_584	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_584	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_584	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_584	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_584	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_584	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_584	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_584	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_584	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_584	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_584	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_584	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_584	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_584	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_584	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_584	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_584	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_584	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_584	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_584	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_584	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_584	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_584	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_584	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_584	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_584	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_584	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_584	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_584	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_584	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_584	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_584	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_584	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_584	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_584	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_584	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_584	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_584	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_584	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_584	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_584	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_584	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_584	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_584	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_584	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_584	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_584	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_584	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_584	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_584	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_584	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_584	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_584	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_584	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_584	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_584	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_584	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_584	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_584	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_584	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_584	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_584	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_584	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_584	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_584	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_584	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_584	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_584	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_584	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_584	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_584	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_584	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_584	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_584	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_584	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_584	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_584	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_584	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_584	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_584	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_584	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_584	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_584	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_584	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_584	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_584	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_584	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_584	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_584	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_584	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_584	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_584	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_584	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_584	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_584	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_584	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_584	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_584	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_584	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_584	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_584	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_584	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_584	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_584	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_584	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_584	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_584	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_584	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_584	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_584	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_584	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_584	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_584	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_584	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_584	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_584	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_584	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_584	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_584	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_584	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_584	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_584	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_584	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_584	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_584	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_584	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_584	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_584	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_584	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_584	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_584	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_584	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_584	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_584	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_584	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_584	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_584	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_584	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_584	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_584	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_584	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_584	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_584	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_584	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_584	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_584	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_584	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_584	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_584	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_584	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_584	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_584	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_584	O=C(OCC)c1ccccc1	C93890
PUBCHEM_584	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_584	NCc1cccc(CN)c1	C1477550
PUBCHEM_584	n1cc(C)ccc1	C108996
PUBCHEM_584	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_584	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_584	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_584	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_584	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_584	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_584	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_584	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_584	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_584	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_584	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_584	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_584	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_584	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_584	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_584	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_584	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_584	NNc1ccccc1.Cl	C59881
PUBCHEM_584	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_584	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_584	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_584	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_584	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_584	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_584	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_584	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_584	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_584	N#Cc1ccccc1	C100470
PUBCHEM_584	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_584	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_584	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_584	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_584	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_584	Nc1ccc(Br)cc1	C106401
PUBCHEM_584	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_584	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_584	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_584	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_584	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_584	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_584	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_584	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_584	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_584	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_584	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_584	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_584	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_584	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_584	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_584	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_584	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_584	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_584	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_584	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_584	Nc1ccc(OC)cc1	C104949
PUBCHEM_584	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_584	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_584	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_584	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_584	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_584	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_584	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_584	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_584	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_584	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_584	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_584	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_584	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_584	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_584	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_584	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_584	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_584	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_584	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_584	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_584	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_584	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_584	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_584	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_584	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_584	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_584	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_584	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_584	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_584	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_584	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_584	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_584	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_584	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_584	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_584	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_584	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_584	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_584	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_584	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_584	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_584	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_584	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_584	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_584	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_584	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_584	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_584	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_584	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_584	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_584	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_584	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_584	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_584	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_584	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_584	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_584	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_584	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_584	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_584	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_584	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_584	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_584	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_584	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_584	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_584	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_584	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_584	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_584	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_584	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_584	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_584	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_584	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_584	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_584	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_584	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_584	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_584	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_584	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_584	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_584	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_584	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_584	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_584	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_584	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_584	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_584	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_584	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_584	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_584	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_584	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_584	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_584	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_584	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_584	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_584	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_584	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_584	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_584	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_584	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_584	Cl[Hg]c1ccccc1	C100561
PUBCHEM_584	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_584	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_584	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_584	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_584	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_584	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_584	O=[As]c1ccccc1	C637036
PUBCHEM_584	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_584	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_584	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_584	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_584	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_584	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_584	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_584	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_584	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_584	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_584	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_584	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_584	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_584	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_584	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_584	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_584	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_584	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_584	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_584	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_584	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_584	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_584	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_584	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_584	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_584	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_584	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_584	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_584	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_584	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_584	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_584	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_584	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_584	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_584	Nc1cccc(C)n1	C1824813
PUBCHEM_584	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_584	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_584	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_584	CC1COc2ccccc2N1	C32329207
PUBCHEM_584	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_584	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_584	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_584	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_584	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_584	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_584	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_584	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_584	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_584	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_584	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_584	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_584	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_584	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_584	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_584	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_584	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_584	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_584	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_584	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_584	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_584	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_584	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_584	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_584	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_584	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_584	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_584	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_584	CCCCCc1ccco1	C3777693
PUBCHEM_584	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_585	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_585	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_585	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_585	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_585	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_585	c1cccc2[nH]ccc12	C120729
PUBCHEM_585	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_585	NC(=O)c1cccnc1	C98920
PUBCHEM_585	OC(=O)c1cccnc1	C59676
PUBCHEM_585	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_585	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_585	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_585	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_585	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_585	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_585	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_585	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_585	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_585	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_585	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_585	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_585	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_585	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_585	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_585	c1ccc2ncsc2c1	C95169
PUBCHEM_585	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_585	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_585	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_585	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_585	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_585	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_585	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_585	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_585	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_585	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_585	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_585	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_585	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_585	OCn1nc(C)cc1C	C85264331
PUBCHEM_585	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_585	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_585	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_585	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_585	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_585	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_585	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_585	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_585	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_585	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_585	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_585	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_585	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_585	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_585	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_585	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_585	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_585	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_585	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_585	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_585	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_585	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_585	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_585	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_585	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_585	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_585	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_585	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_585	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_585	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_585	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_585	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_585	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_585	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_585	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_585	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_585	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_585	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_585	O=C(N)Nc1ccccc1	C64108
PUBCHEM_585	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_585	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_585	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_585	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_585	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_585	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_585	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_585	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_585	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_585	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_585	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_585	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_585	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_585	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_585	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_585	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_585	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_585	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_585	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_585	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_585	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_585	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_585	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_585	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_585	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_585	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_585	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_585	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_585	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_585	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_585	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_585	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_585	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_585	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_585	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_585	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_585	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_585	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_585	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_585	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_585	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_585	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_585	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_585	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_585	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_585	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_585	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_585	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_585	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_585	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_585	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_585	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_585	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_585	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_585	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_585	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_585	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_585	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_585	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_585	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_585	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_585	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_585	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_585	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_585	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_585	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_585	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_585	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_585	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_585	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_585	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_585	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_585	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_585	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_585	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_585	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_585	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_585	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_585	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_585	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_585	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_585	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_585	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_585	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_585	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_585	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_585	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_585	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_585	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_585	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_585	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_585	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_585	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_585	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_585	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_585	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_585	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_585	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_585	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_585	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_585	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_585	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_585	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_585	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_585	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_585	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_585	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_585	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_585	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_585	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_585	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_585	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_585	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_585	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_585	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_585	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_585	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_585	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_585	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_585	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_585	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_585	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_585	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_585	CN(c1ccccc1)C	C121697
PUBCHEM_585	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_585	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_585	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_585	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_585	Oc1cccc2cccnc12	C148243
PUBCHEM_585	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_585	O=C(c1ccncc1)NN	C54853
PUBCHEM_585	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_585	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_585	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_585	Cc1cc2cccnc2cc1	C91623
PUBCHEM_585	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_585	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_585	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_585	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_585	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_585	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_585	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_585	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_585	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_585	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_585	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_585	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_585	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_585	n1cccc2c1cccc2	C91225
PUBCHEM_585	CCN(CC)c1ccccc1	C91667
PUBCHEM_585	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_585	CCNc1cc(C)ccc1	C102272
PUBCHEM_585	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_585	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_585	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_585	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_585	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_585	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_585	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_585	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_585	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_585	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_585	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_585	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_585	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_585	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_585	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_585	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_585	N(c1ccccc1)CC	C103695
PUBCHEM_585	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_585	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_585	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_585	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_585	N#Cc1cnccc1	C100549
PUBCHEM_585	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_585	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_585	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_585	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_585	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_585	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_585	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_585	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_585	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_585	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_585	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_585	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_585	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_585	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_585	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_585	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_585	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_585	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_585	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_585	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_585	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_585	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_585	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_585	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_585	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_585	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_585	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_585	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_585	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_585	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_585	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_585	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_585	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_585	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_585	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_585	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_585	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_585	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_585	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_585	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_585	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_585	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_585	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_585	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_585	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_585	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_585	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_585	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_585	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_585	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_585	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_585	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_585	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_585	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_585	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_585	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_585	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_585	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_585	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_585	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_585	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_585	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_585	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_585	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_585	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_585	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_585	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_585	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_585	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_585	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_585	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_585	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_585	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_585	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_585	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_585	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_585	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_585	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_585	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_585	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_585	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_585	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_585	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_585	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_585	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_585	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_585	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_585	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_585	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_585	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_585	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_585	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_585	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_585	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_585	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_585	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_585	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_585	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_585	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_585	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_585	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_585	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_585	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_585	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_585	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_585	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_585	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_585	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_585	n1cc(C)ccc1	C108996
PUBCHEM_585	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_585	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_585	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_585	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_585	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_585	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_585	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_585	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_585	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_585	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_585	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_585	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_585	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_585	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_585	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_585	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_585	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_585	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_585	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_585	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_585	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_585	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_585	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_585	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_585	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_585	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_585	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_585	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_585	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_585	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_585	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_585	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_585	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_585	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_585	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_585	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_585	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_585	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_585	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_585	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_585	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_585	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_585	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_585	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_585	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_585	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_585	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_585	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_585	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_585	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_585	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_585	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_585	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_585	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_585	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_585	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_585	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_585	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_585	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_585	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_585	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_585	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_585	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_585	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_585	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_585	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_585	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_585	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_585	Nc1cccc(C)n1	C1824813
PUBCHEM_585	CC1COc2ccccc2N1	C32329207
PUBCHEM_585	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_585	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_585	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_585	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_585	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_585	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_585	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_586	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_586	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_586	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_586	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_586	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_586	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_586	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_586	c1ccc2ncsc2c1	C95169
PUBCHEM_586	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_586	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_586	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_586	OCCSCCCCCCCC	C3547339
PUBCHEM_586	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_586	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_586	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_586	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_586	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_586	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_586	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_586	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_586	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_586	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_586	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_586	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_586	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_586	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_586	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_586	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_586	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_586	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_586	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_586	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_586	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_586	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_586	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_586	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_586	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_586	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_586	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_586	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_586	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_586	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_586	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_586	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_586	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_586	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_586	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_586	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_586	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_586	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_586	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_586	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_586	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_586	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_586	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_586	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_586	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_586	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_586	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_586	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_586	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_586	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_586	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_586	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_586	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_586	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_586	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_586	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_586	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_586	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_586	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_586	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_586	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_586	O=CCCSC	C3268493
PUBCHEM_586	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_586	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_586	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_586	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_586	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_586	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_586	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_586	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_586	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_586	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_586	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_586	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_586	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_586	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_586	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_586	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_586	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_586	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_586	S=C=NCCCSC	C505793
PUBCHEM_586	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_586	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_586	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_586	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_588	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_588	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_588	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_588	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_588	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_588	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_588	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_588	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_588	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_588	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_588	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_588	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_588	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_588	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_588	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_588	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_588	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_588	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_588	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_588	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_588	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_588	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_588	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_588	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_588	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_588	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_588	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_588	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_588	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_588	O=C(OC)CC(=O)OC	C108598
PUBCHEM_588	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_588	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_588	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_588	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_588	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_588	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_588	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_588	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_588	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_588	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_588	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_588	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_588	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_588	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_588	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_588	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_589	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_589	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_589	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_589	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_589	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_589	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_589	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_589	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_589	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_589	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_589	COc1ccc(cc1)O	C150765
PUBCHEM_589	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_589	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_589	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_589	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_589	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_589	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_589	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_589	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_589	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_589	COc1ccc(OC)cc1	C150787
PUBCHEM_589	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_589	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_589	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_589	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_589	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_589	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_589	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_589	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_589	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_589	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_589	c1cccc(OC)c1O	C90051
PUBCHEM_589	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_589	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_589	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_589	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_589	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_589	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_589	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_589	c1c(CO)occ1	C98000
PUBCHEM_589	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_589	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_589	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_589	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_589	OC(C)COc1ccccc1	C770354
PUBCHEM_589	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_589	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_589	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_589	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_589	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_589	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_589	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_589	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_589	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_589	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_589	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_589	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_589	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_589	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_589	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_589	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_589	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_589	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_589	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_589	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_589	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_589	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_589	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_589	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_589	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_589	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_589	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_589	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_589	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_589	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_589	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_589	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_589	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_589	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_589	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_589	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_589	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_589	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_589	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_589	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_589	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_589	Oc1c(OCC)cccc1	C94713
PUBCHEM_589	COc1ccc(CCC)cc1	C104450
PUBCHEM_589	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_589	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_589	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_589	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_589	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_589	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_589	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_589	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_589	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_589	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_589	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_589	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_589	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_589	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_589	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_589	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_589	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_589	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_589	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_589	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_589	c1ccccc1OCCO	C122996
PUBCHEM_589	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_589	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_589	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_589	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_589	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_589	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_589	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_589	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_589	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_589	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_589	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_589	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_589	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_589	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_589	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_589	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_589	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_589	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_589	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_589	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_589	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_589	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_589	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_589	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_589	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_589	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_589	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_589	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_589	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_589	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_589	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_589	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_589	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_589	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_589	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_589	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_589	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_589	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_589	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_589	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_589	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_589	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_589	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_589	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_589	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_589	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_589	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_589	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_589	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_589	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_589	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_589	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_589	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_589	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_589	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_589	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_589	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_589	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_589	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_589	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_589	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_589	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_589	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_589	c1coc2c1cccc2	C271896
PUBCHEM_589	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_589	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_589	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_589	Nc1cc(ccc1OC)C	C120718
PUBCHEM_589	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_589	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_589	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_589	O=Cc1ccco1	C98011
PUBCHEM_589	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_589	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_589	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_589	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_589	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_589	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_589	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_589	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_589	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_589	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_589	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_589	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_589	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_589	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_589	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_589	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_589	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_589	Nc1c(OC)cccc1	C90040
PUBCHEM_589	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_589	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_589	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_589	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_589	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_589	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_589	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_589	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_589	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_589	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_589	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_589	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_589	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_589	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_589	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_589	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_589	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_589	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_589	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_589	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_589	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_589	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_589	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_589	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_589	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_589	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_589	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_589	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_589	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_589	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_589	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_589	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_589	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_589	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_589	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_589	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_589	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_589	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_589	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_589	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_589	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_589	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_589	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_589	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_589	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_589	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_589	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_589	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_589	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_589	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_589	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_589	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_589	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_589	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_589	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_589	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_589	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_589	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_589	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_589	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_589	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_589	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_589	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_589	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_589	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_589	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_589	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_589	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_589	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_589	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_589	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_589	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_589	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_589	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_589	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_589	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_589	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_589	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_589	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_589	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_589	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_589	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_589	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_589	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_589	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_589	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_589	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_589	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_589	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_589	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_589	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_589	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_589	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_589	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_589	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_589	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_589	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_589	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_589	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_589	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_589	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_589	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_589	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_589	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_589	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_589	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_589	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_589	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_589	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_589	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_589	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_589	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_589	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_589	Nc1ccc(OC)cc1	C104949
PUBCHEM_589	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_589	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_589	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_589	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_589	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_589	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_589	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_589	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_589	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_589	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_589	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_589	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_589	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_589	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_589	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_589	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_589	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_589	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_589	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_589	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_589	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_589	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_589	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_589	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_589	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_589	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_589	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_589	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_589	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_589	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_589	CC1COc2ccccc2N1	C32329207
PUBCHEM_589	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_589	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_589	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_589	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_589	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_589	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_589	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_589	CCCCCc1ccco1	C3777693
PUBCHEM_591	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_591	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_591	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_591	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_591	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_591	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_591	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_591	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_591	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_591	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_591	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_591	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_591	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_591	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_591	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_591	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_591	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_591	Oc1ccc(Cl)cc1	C106489
PUBCHEM_591	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_591	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_591	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_591	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_591	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_591	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_591	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_591	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_591	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_591	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_591	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_591	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_591	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_591	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_591	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_591	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_591	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_591	Clc1cccc(C)c1	C25168052
PUBCHEM_591	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_591	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_591	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_591	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_591	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_591	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_591	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_591	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_591	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_591	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_591	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_591	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_591	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_591	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_591	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_591	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_591	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_591	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_591	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_591	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_591	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_591	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_591	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_591	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_591	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_591	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_591	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_591	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_591	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_591	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_591	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_591	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_591	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_591	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_591	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_591	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_591	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_591	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_591	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_591	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_591	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_591	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_591	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_591	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_591	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_591	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_591	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_591	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_591	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_591	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_591	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_591	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_591	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_591	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_591	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_591	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_591	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_591	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_591	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_591	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_591	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_591	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_591	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_591	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_591	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_591	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_591	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_591	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_591	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_591	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_591	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_591	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_591	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_591	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_591	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_591	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_591	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_591	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_591	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_591	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_591	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_591	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_591	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_591	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_591	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_591	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_591	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_591	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_591	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_591	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_591	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_591	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_591	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_591	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_591	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_591	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_591	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_591	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_591	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_591	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_591	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_591	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_591	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_591	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_591	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_591	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_591	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_591	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_591	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_591	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_591	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_591	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_591	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_591	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_591	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_591	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_591	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_591	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_591	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_591	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_591	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_591	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_591	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_591	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_591	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_591	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_591	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_591	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_591	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_591	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_591	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_591	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_591	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_591	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_591	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_591	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_591	O=C(c1ccccc1)CCl	C532274
PUBCHEM_591	Nc1ccc(cc1)Cl	C106478
PUBCHEM_591	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_591	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_591	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_591	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_591	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_591	Clc1c(cccc1)Cl	C95501
PUBCHEM_591	Clc1ccc(cc1)Cl	C106467
PUBCHEM_591	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_591	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_591	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_591	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_591	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_591	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_591	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_591	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_591	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_591	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_591	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_591	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_591	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_591	Oc1ccccc1Cl	C95578
PUBCHEM_591	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_591	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_591	Clc1cc(Cl)ccc1	C541731
PUBCHEM_591	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_591	Cc1ccccc1Cl	C95498
PUBCHEM_591	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_591	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_591	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_591	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_591	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_591	Cc1ccc(Cl)cc1	C106434
PUBCHEM_591	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_591	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_591	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_591	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_591	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_591	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_591	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_591	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_591	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_591	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_591	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_591	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_591	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_591	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_591	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_591	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_591	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_591	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_591	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_591	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_591	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_591	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_591	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_591	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_591	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_591	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_591	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_591	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_591	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_591	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_591	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_591	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_591	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_591	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_591	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_591	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_591	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_591	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_591	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_591	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_591	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_591	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_591	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_591	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_591	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_591	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_591	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_591	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_591	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_591	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_591	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_591	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_591	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_591	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_591	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_591	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_591	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_591	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_591	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_591	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_591	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_591	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_591	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_591	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_591	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_591	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_591	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_591	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_591	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_591	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_591	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_591	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_591	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_591	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_591	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_591	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_591	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_591	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_591	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_591	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_591	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_591	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_591	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_591	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_591	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_591	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_591	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_591	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_591	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_591	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_591	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_591	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_591	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_591	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_591	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_591	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_591	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_591	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_591	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_591	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_591	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_591	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_591	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_591	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_592	Nc1ccccc1.Cl	C142041
PUBCHEM_592	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_592	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_592	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_592	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_592	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_592	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_592	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_592	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_592	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_592	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_592	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_592	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_592	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_592	c1cccc2[nH]ccc12	C120729
PUBCHEM_592	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_592	NC(=O)c1cccnc1	C98920
PUBCHEM_592	OC(=O)c1cccnc1	C59676
PUBCHEM_592	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_592	O=NN1CCCC1	C930552
PUBCHEM_592	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_592	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_592	Nc1ccc(cc1)N	C106503
PUBCHEM_592	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_592	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_592	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_592	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_592	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_592	Nc1ccccc1C.Cl	C636215
PUBCHEM_592	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_592	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_592	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_592	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_592	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_592	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_592	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_592	CCCCCCCCCCCCN	C124221
PUBCHEM_592	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_592	CCCCCCCCCCN	C2016571
PUBCHEM_592	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_592	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_592	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_592	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_592	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_592	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_592	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_592	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_592	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_592	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_592	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_592	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_592	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_592	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_592	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_592	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_592	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_592	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_592	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_592	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_592	c1ccc2ncsc2c1	C95169
PUBCHEM_592	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_592	C(CCN)CCCN	C124094
PUBCHEM_592	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_592	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_592	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_592	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_592	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_592	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_592	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_592	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_592	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_592	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_592	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_592	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_592	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_592	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_592	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_592	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_592	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_592	N1CCCCCC1	C111499
PUBCHEM_592	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_592	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_592	O=C1NCCC1	C616455
PUBCHEM_592	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_592	Nc1cccc(C)c1C	C1300738
PUBCHEM_592	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_592	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_592	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_592	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_592	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_592	Nc1c(C)cccc1CC	C24549062
PUBCHEM_592	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_592	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_592	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_592	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_592	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_592	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_592	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_592	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_592	OCn1nc(C)cc1C	C85264331
PUBCHEM_592	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_592	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_592	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_592	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_592	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_592	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_592	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_592	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_592	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_592	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_592	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_592	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_592	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_592	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_592	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_592	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_592	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_592	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_592	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_592	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_592	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_592	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_592	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_592	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_592	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_592	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_592	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_592	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_592	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_592	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_592	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_592	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_592	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_592	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_592	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_592	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_592	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_592	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_592	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_592	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_592	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_592	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_592	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_592	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_592	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_592	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_592	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_592	Oc1ccccc1CN(C)C	C120650
PUBCHEM_592	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_592	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_592	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_592	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_592	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_592	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_592	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_592	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_592	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_592	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_592	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_592	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_592	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_592	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_592	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_592	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_592	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_592	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_592	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_592	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_592	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_592	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_592	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_592	O=C(N)Nc1ccccc1	C64108
PUBCHEM_592	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_592	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_592	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_592	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_592	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_592	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_592	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_592	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_592	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_592	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_592	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_592	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_592	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_592	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_592	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_592	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_592	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_592	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_592	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_592	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_592	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_592	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_592	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_592	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_592	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_592	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_592	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_592	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_592	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_592	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_592	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_592	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_592	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_592	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_592	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_592	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_592	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_592	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_592	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_592	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_592	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_592	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_592	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_592	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_592	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_592	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_592	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_592	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_592	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_592	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_592	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_592	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_592	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_592	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_592	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_592	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_592	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_592	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_592	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_592	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_592	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_592	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_592	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_592	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_592	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_592	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_592	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_592	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_592	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_592	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_592	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_592	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_592	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_592	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_592	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_592	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_592	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_592	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_592	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_592	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_592	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_592	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_592	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_592	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_592	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_592	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_592	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_592	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_592	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_592	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_592	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_592	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_592	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_592	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_592	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_592	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_592	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_592	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_592	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_592	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_592	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_592	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_592	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_592	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_592	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_592	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_592	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_592	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_592	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_592	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_592	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_592	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_592	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_592	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_592	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_592	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_592	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_592	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_592	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_592	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_592	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_592	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_592	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_592	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_592	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_592	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_592	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_592	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_592	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_592	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_592	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_592	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_592	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_592	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_592	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_592	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_592	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_592	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_592	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_592	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_592	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_592	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_592	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_592	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_592	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_592	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_592	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_592	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_592	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_592	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_592	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_592	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_592	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_592	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_592	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_592	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_592	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_592	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_592	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_592	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_592	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_592	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_592	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_592	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_592	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_592	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_592	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_592	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_592	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_592	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_592	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_592	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_592	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_592	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_592	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_592	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_592	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_592	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_592	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_592	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_592	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_592	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_592	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_592	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_592	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_592	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_592	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_592	O=C1CCCCCN1	C105602
PUBCHEM_592	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_592	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_592	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_592	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_592	Nc1ccc(cc1)Cl	C106478
PUBCHEM_592	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_592	Nc1cc(ccc1OC)C	C120718
PUBCHEM_592	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_592	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_592	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_592	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_592	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_592	CN(c1ccccc1)C	C121697
PUBCHEM_592	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_592	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_592	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_592	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_592	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_592	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_592	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_592	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_592	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_592	Oc1cccc2cccnc12	C148243
PUBCHEM_592	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_592	O=C(c1ccncc1)NN	C54853
PUBCHEM_592	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_592	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_592	O=C1N(CCC1)C	C872504
PUBCHEM_592	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_592	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_592	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_592	Cc1cc2cccnc2cc1	C91623
PUBCHEM_592	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_592	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_592	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_592	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_592	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_592	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_592	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_592	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_592	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_592	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_592	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_592	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_592	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_592	O=NN(CCCC)CCCC	C924163
PUBCHEM_592	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_592	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_592	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_592	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_592	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_592	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_592	Nc1cc(ccc1)N	C108452
PUBCHEM_592	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_592	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_592	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_592	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_592	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_592	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_592	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_592	O=C1N(C=C)CCC1	C88120
PUBCHEM_592	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_592	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_592	n1cccc2c1cccc2	C91225
PUBCHEM_592	CCN(CC)c1ccccc1	C91667
PUBCHEM_592	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_592	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_592	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_592	CCNc1cc(C)ccc1	C102272
PUBCHEM_592	Nc1ccc(C)cc1	C106490
PUBCHEM_592	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_592	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_592	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_592	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_592	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_592	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_592	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_592	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_592	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_592	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_592	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_592	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_592	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_592	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_592	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_592	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_592	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_592	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_592	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_592	Nc1c(OC)cccc1	C90040
PUBCHEM_592	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_592	NC1CCCCC1	C108918
PUBCHEM_592	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_592	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_592	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_592	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_592	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_592	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_592	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_592	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_592	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_592	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_592	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_592	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_592	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_592	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_592	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_592	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_592	Nc1cc(C)ccc1N	C496720
PUBCHEM_592	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_592	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_592	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_592	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_592	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_592	N(c1ccccc1)CC	C103695
PUBCHEM_592	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_592	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_592	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_592	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_592	Nc1c(N)cccc1	C95545
PUBCHEM_592	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_592	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_592	Nc1c(cccc1)C	C95534
PUBCHEM_592	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_592	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_592	Nc1c(cccc1C)C	C87627
PUBCHEM_592	N#Cc1cnccc1	C100549
PUBCHEM_592	Nc1cccc(C)c1	C108441
PUBCHEM_592	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_592	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_592	Nc1c(CC)cccc1CC	C579668
PUBCHEM_592	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_592	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_592	Nc1cccc(C)c1N	C2687254
PUBCHEM_592	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_592	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_592	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_592	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_592	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_592	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_592	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_592	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_592	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_592	CCCCCCCCN(C)C	C7378996
PUBCHEM_592	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_592	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_592	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_592	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_592	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_592	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_592	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_592	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_592	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_592	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_592	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_592	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_592	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_592	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_592	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_592	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_592	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_592	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_592	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_592	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_592	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_592	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_592	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_592	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_592	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_592	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_592	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_592	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_592	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_592	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_592	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_592	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_592	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_592	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_592	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_592	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_592	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_592	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_592	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_592	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_592	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_592	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_592	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_592	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_592	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_592	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_592	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_592	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_592	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_592	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_592	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_592	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_592	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_592	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_592	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_592	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_592	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_592	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_592	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_592	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_592	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_592	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_592	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_592	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_592	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_592	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_592	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_592	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_592	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_592	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_592	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_592	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_592	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_592	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_592	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_592	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_592	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_592	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_592	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_592	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_592	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_592	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_592	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_592	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_592	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_592	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_592	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_592	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_592	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_592	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_592	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_592	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_592	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_592	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_592	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_592	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_592	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_592	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_592	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_592	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_592	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_592	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_592	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_592	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_592	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_592	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_592	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_592	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_592	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_592	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_592	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_592	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_592	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_592	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_592	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_592	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_592	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_592	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_592	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_592	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_592	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_592	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_592	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_592	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_592	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_592	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_592	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_592	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_592	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_592	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_592	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_592	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_592	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_592	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_592	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_592	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_592	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_592	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_592	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_592	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_592	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_592	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_592	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_592	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_592	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_592	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_592	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_592	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_592	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_592	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_592	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_592	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_592	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_592	S=C(NCCCC)NCCCC	C109466
PUBCHEM_592	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_592	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_592	NCc1cccc(CN)c1	C1477550
PUBCHEM_592	n1cc(C)ccc1	C108996
PUBCHEM_592	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_592	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_592	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_592	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_592	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_592	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_592	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_592	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_592	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_592	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_592	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_592	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_592	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_592	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_592	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_592	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_592	NNc1ccccc1.Cl	C59881
PUBCHEM_592	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_592	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_592	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_592	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_592	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_592	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_592	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_592	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_592	Nc1ccc(Br)cc1	C106401
PUBCHEM_592	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_592	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_592	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_592	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_592	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_592	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_592	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_592	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_592	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_592	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_592	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_592	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_592	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_592	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_592	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_592	Nc1ccc(OC)cc1	C104949
PUBCHEM_592	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_592	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_592	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_592	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_592	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_592	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_592	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_592	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_592	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_592	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_592	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_592	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_592	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_592	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_592	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_592	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_592	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_592	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_592	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_592	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_592	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_592	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_592	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_592	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_592	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_592	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_592	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_592	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_592	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_592	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_592	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_592	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_592	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_592	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_592	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_592	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_592	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_592	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_592	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_592	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_592	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_592	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_592	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_592	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_592	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_592	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_592	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_592	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_592	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_592	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_592	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_592	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_592	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_592	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_592	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_592	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_592	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_592	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_592	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_592	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_592	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_592	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_592	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_592	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_592	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_592	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_592	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_592	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_592	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_592	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_592	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_592	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_592	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_592	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_592	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_592	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_592	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_592	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_592	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_592	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_592	O=CN1CCCCC1	C2591868
PUBCHEM_592	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_592	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_592	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_592	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_592	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_592	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_592	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_592	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_592	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_592	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_592	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_592	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_592	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_592	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_592	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_592	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_592	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_592	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_592	Nc1cccc(C)n1	C1824813
PUBCHEM_592	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_592	CC1COc2ccccc2N1	C32329207
PUBCHEM_592	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_592	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_592	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_592	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_592	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_592	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_592	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_592	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_592	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_592	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_592	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_592	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_592	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_592	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_592	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_592	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_592	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_592	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_593	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_593	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_593	NC(=O)c1cccnc1	C98920
PUBCHEM_593	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_593	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_593	N(CCCN)(C)C	C109557
PUBCHEM_593	OCn1nc(C)cc1C	C85264331
PUBCHEM_593	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_593	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_593	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_593	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_593	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_593	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_593	NCCCN1CCOCC1	C123002
PUBCHEM_593	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_593	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_593	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_593	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_593	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_593	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_593	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_593	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_593	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_593	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_593	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_593	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_593	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_593	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_593	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_593	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_593	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_593	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_593	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_593	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_593	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_593	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_593	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_593	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_593	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_593	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_593	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_593	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_593	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_593	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_593	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_593	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_593	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_593	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_593	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_593	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_593	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_593	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_593	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_593	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_593	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_593	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_593	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_593	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_593	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_593	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_593	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_593	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_593	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_593	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_593	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_593	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_593	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_593	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_593	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_593	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_593	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_593	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_593	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_593	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_593	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_593	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_593	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_593	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_593	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_593	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_593	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_593	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_593	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_593	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_593	Nc1cc(ccc1)N	C108452
PUBCHEM_593	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_593	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_593	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_593	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_593	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_593	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_593	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_593	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_593	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_593	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_593	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_593	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_593	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_593	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_593	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_593	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_593	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_593	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_593	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_593	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_593	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_593	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_593	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_593	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_593	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_593	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_593	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_593	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_593	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_593	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_593	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_593	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_593	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_593	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_593	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_593	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_593	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_593	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_593	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_593	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_593	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_593	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_593	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_593	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_593	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_593	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_593	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_593	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_593	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_593	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_593	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_593	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_593	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_593	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_593	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_593	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_593	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_593	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_593	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_593	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_593	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_593	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_593	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_593	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_593	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_593	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_593	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_593	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_593	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_593	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_593	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_593	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_593	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_593	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_593	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_593	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_593	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_593	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_593	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_593	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_593	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_593	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_593	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_593	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_593	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_593	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_593	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_593	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_593	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_593	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_593	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_593	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_593	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_593	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_593	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_593	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_593	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_593	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_593	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_593	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_593	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_593	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_593	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_593	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_593	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_593	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_593	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_593	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_593	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_593	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_593	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_593	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_594	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_594	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_594	CC(=O)OCc1ccccc1	C140114
PUBCHEM_594	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_594	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_594	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_594	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_594	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_594	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_594	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_594	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_594	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_594	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_594	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_594	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_594	COc1ccc(cc1)O	C150765
PUBCHEM_594	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_594	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_594	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_594	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_594	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_594	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_594	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_594	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_594	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_594	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_594	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_594	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_594	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_594	COc1ccc(OC)cc1	C150787
PUBCHEM_594	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_594	C=CC(=O)OCCO	C818611
PUBCHEM_594	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_594	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_594	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_594	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_594	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_594	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_594	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_594	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_594	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_594	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_594	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_594	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_594	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_594	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_594	c1cccc(OC)c1O	C90051
PUBCHEM_594	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_594	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_594	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_594	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_594	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_594	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_594	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_594	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_594	O=C(OCCCC)C=C	C141322
PUBCHEM_594	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_594	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_594	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_594	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_594	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_594	c1c(CO)occ1	C98000
PUBCHEM_594	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_594	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_594	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_594	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_594	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_594	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_594	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_594	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_594	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_594	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_594	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_594	OC(C)COc1ccccc1	C770354
PUBCHEM_594	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_594	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_594	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_594	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_594	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_594	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_594	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_594	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_594	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_594	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_594	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_594	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_594	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_594	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_594	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_594	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_594	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_594	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_594	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_594	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_594	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_594	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_594	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_594	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_594	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_594	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_594	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_594	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_594	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_594	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_594	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_594	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_594	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_594	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_594	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_594	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_594	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_594	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_594	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_594	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_594	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_594	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_594	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_594	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_594	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_594	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_594	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_594	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_594	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_594	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_594	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_594	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_594	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_594	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_594	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_594	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_594	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_594	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_594	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_594	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_594	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_594	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_594	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_594	Oc1c(OCC)cccc1	C94713
PUBCHEM_594	COc1ccc(CCC)cc1	C104450
PUBCHEM_594	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_594	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_594	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_594	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_594	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_594	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_594	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_594	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_594	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_594	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_594	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_594	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_594	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_594	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_594	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_594	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_594	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_594	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_594	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_594	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_594	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_594	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_594	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_594	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_594	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_594	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_594	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_594	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_594	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_594	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_594	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_594	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_594	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_594	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_594	c1ccccc1OCCO	C122996
PUBCHEM_594	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_594	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_594	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_594	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_594	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_594	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_594	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_594	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_594	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_594	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_594	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_594	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_594	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_594	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_594	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_594	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_594	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_594	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_594	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_594	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_594	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_594	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_594	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_594	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_594	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_594	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_594	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_594	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_594	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_594	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_594	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_594	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_594	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_594	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_594	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_594	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_594	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_594	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_594	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_594	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_594	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_594	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_594	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_594	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_594	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_594	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_594	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_594	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_594	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_594	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_594	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_594	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_594	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_594	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_594	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_594	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_594	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_594	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_594	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_594	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_594	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_594	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_594	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_594	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_594	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_594	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_594	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_594	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_594	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_594	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_594	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_594	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_594	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_594	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_594	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_594	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_594	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_594	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_594	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_594	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_594	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_594	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_594	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_594	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_594	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_594	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_594	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_594	c1coc2c1cccc2	C271896
PUBCHEM_594	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_594	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_594	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_594	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_594	Nc1cc(ccc1OC)C	C120718
PUBCHEM_594	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_594	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_594	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_594	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_594	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_594	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_594	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_594	O=Cc1ccco1	C98011
PUBCHEM_594	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_594	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_594	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_594	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_594	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_594	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_594	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_594	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_594	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_594	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_594	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_594	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_594	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_594	C1C(c2ccccc2)O1	C96093
PUBCHEM_594	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_594	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_594	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_594	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_594	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_594	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_594	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_594	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_594	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_594	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_594	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_594	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_594	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_594	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_594	Nc1c(OC)cccc1	C90040
PUBCHEM_594	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_594	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_594	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_594	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_594	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_594	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_594	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_594	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_594	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_594	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_594	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_594	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_594	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_594	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_594	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_594	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_594	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_594	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_594	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_594	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_594	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_594	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_594	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_594	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_594	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_594	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_594	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_594	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_594	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_594	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_594	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_594	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_594	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_594	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_594	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_594	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_594	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_594	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_594	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_594	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_594	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_594	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_594	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_594	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_594	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_594	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_594	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_594	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_594	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_594	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_594	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_594	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_594	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_594	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_594	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_594	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_594	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_594	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_594	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_594	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_594	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_594	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_594	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_594	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_594	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_594	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_594	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_594	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_594	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_594	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_594	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_594	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_594	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_594	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_594	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_594	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_594	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_594	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_594	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_594	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_594	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_594	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_594	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_594	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_594	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_594	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_594	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_594	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_594	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_594	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_594	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_594	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_594	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_594	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_594	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_594	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_594	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_594	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_594	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_594	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_594	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_594	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_594	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_594	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_594	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_594	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_594	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_594	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_594	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_594	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_594	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_594	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_594	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_594	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_594	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_594	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_594	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_594	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_594	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_594	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_594	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_594	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_594	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_594	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_594	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_594	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_594	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_594	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_594	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_594	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_594	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_594	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_594	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_594	O=C(OCC)c1ccccc1	C93890
PUBCHEM_594	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_594	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_594	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_594	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_594	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_594	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_594	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_594	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_594	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_594	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_594	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_594	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_594	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_594	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_594	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_594	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_594	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_594	Nc1ccc(OC)cc1	C104949
PUBCHEM_594	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_594	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_594	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_594	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_594	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_594	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_594	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_594	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_594	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_594	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_594	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_594	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_594	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_594	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_594	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_594	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_594	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_594	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_594	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_594	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_594	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_594	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_594	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_594	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_594	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_594	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_594	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_594	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_594	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_594	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_594	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_594	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_594	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_594	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_594	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_594	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_594	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_594	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_594	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_594	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_594	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_594	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_594	O=C(OCCCCO)C=C	C2478106
PUBCHEM_594	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_594	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_594	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_594	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_594	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_594	CC1COc2ccccc2N1	C32329207
PUBCHEM_594	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_594	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_594	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_594	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_594	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_594	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_594	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_594	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_594	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_594	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_594	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_594	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_594	CCCCCc1ccco1	C3777693
PUBCHEM_595	Nc1ccccc1.Cl	C142041
PUBCHEM_595	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_595	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_595	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_595	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_595	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_595	CC(=O)OCc1ccccc1	C140114
PUBCHEM_595	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_595	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_595	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_595	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_595	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_595	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_595	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_595	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_595	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_595	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_595	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_595	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_595	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_595	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_595	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_595	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_595	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_595	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_595	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_595	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_595	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_595	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_595	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_595	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_595	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_595	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_595	c1cccc2[nH]ccc12	C120729
PUBCHEM_595	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_595	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_595	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_595	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_595	COc1ccc(cc1)O	C150765
PUBCHEM_595	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_595	C=Cc1ccc(cc1)C	C622979
PUBCHEM_595	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_595	NC(=O)c1cccnc1	C98920
PUBCHEM_595	OC(=O)c1cccnc1	C59676
PUBCHEM_595	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_595	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_595	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_595	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_595	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_595	Nc1ccc(cc1)N	C106503
PUBCHEM_595	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_595	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_595	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_595	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_595	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_595	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_595	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_595	Nc1ccccc1C.Cl	C636215
PUBCHEM_595	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_595	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_595	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_595	O=CCc1ccccc1	C122781
PUBCHEM_595	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_595	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_595	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_595	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_595	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_595	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_595	O=Cc1ccccc1O	C90028
PUBCHEM_595	Oc1cccc2ccccc12	C90153
PUBCHEM_595	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_595	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_595	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_595	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_595	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_595	Oc1ccc(Cl)cc1	C106489
PUBCHEM_595	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_595	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_595	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_595	Oc1ccc(CC)cc1	C123079
PUBCHEM_595	COc1ccc(OC)cc1	C150787
PUBCHEM_595	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_595	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_595	Oc1ccc(CCC)cc1	C645567
PUBCHEM_595	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_595	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_595	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_595	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_595	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_595	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_595	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_595	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_595	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_595	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_595	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_595	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_595	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_595	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_595	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_595	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_595	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_595	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_595	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_595	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_595	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_595	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_595	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_595	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_595	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_595	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_595	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_595	c1(c(CC)cccc1)O	C90006
PUBCHEM_595	c1c(O)cccc1CC	C620177
PUBCHEM_595	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_595	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_595	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_595	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_595	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_595	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_595	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_595	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_595	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_595	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_595	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_595	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_595	c1cccc(OC)c1O	C90051
PUBCHEM_595	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_595	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_595	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_595	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_595	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_595	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_595	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_595	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_595	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_595	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_595	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_595	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_595	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_595	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_595	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_595	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_595	Cc1cc(O)ccc1	C108394
PUBCHEM_595	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_595	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_595	c1ccc2ncsc2c1	C95169
PUBCHEM_595	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_595	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_595	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_595	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_595	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_595	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_595	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_595	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_595	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_595	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_595	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_595	Cc1c(C)cccc1O	C526750
PUBCHEM_595	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_595	C=Cc1ccccc1C=C	C1321740
PUBCHEM_595	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_595	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_595	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_595	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_595	c1c(CO)occ1	C98000
PUBCHEM_595	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_595	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_595	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_595	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_595	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_595	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_595	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_595	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_595	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_595	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_595	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_595	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_595	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_595	c12ccccc1CCCC2	C119642
PUBCHEM_595	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_595	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_595	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_595	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_595	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_595	Cc1cccc(C)c1	C108383
PUBCHEM_595	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_595	OCCc1ccccc1	C60128
PUBCHEM_595	O=C(O)c1ccccc1O	C69727
PUBCHEM_595	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_595	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_595	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_595	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_595	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_595	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_595	Sc1ccccc1	C108985
PUBCHEM_595	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_595	Oc1ccc2ccccc2c1	C135193
PUBCHEM_595	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_595	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_595	Brc1ccc(F)cc1	C460004
PUBCHEM_595	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_595	ClP(c1ccccc1)Cl	C644973
PUBCHEM_595	OC(C)COc1ccccc1	C770354
PUBCHEM_595	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_595	Nc1cccc(C)c1C	C1300738
PUBCHEM_595	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_595	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_595	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_595	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_595	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_595	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_595	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_595	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_595	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_595	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_595	Nc1c(C)cccc1CC	C24549062
PUBCHEM_595	Clc1cccc(C)c1	C25168052
PUBCHEM_595	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_595	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_595	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_595	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_595	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_595	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_595	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_595	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_595	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_595	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_595	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_595	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_595	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_595	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_595	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_595	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_595	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_595	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_595	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_595	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_595	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_595	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_595	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_595	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_595	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_595	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_595	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_595	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_595	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_595	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_595	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_595	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_595	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_595	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_595	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_595	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_595	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_595	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_595	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_595	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_595	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_595	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_595	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_595	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_595	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_595	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_595	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_595	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_595	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_595	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_595	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_595	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_595	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_595	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_595	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_595	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_595	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_595	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_595	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_595	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_595	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_595	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_595	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_595	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_595	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_595	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_595	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_595	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_595	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_595	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_595	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_595	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_595	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_595	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_595	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_595	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_595	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_595	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_595	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_595	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_595	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_595	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_595	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_595	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_595	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_595	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_595	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_595	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_595	O=C(c1ccccc1O)C	C118934
PUBCHEM_595	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_595	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_595	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_595	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_595	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_595	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_595	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_595	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_595	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_595	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_595	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_595	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_595	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_595	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_595	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_595	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_595	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_595	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_595	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_595	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_595	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_595	Oc1ccccc1CN(C)C	C120650
PUBCHEM_595	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_595	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_595	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_595	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_595	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_595	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_595	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_595	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_595	OCC=Cc1ccccc1	C104541
PUBCHEM_595	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_595	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_595	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_595	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_595	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_595	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_595	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_595	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_595	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_595	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_595	N#Cc1c(O)cccc1	C611201
PUBCHEM_595	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_595	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_595	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_595	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_595	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_595	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_595	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_595	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_595	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_595	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_595	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_595	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_595	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_595	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_595	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_595	c12ccccc1CC=C2	C95136
PUBCHEM_595	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_595	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_595	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_595	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_595	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_595	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_595	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_595	Oc1c(OCC)cccc1	C94713
PUBCHEM_595	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_595	COc1ccc(CCC)cc1	C104450
PUBCHEM_595	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_595	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_595	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_595	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_595	OC(CO)c1ccccc1	C93561
PUBCHEM_595	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_595	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_595	O=C(N)Nc1ccccc1	C64108
PUBCHEM_595	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_595	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_595	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_595	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_595	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_595	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_595	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_595	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_595	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_595	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_595	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_595	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_595	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_595	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_595	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_595	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_595	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_595	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_595	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_595	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_595	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_595	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_595	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_595	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_595	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_595	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_595	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_595	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_595	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_595	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_595	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_595	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_595	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_595	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_595	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_595	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_595	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_595	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_595	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_595	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_595	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_595	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_595	Sc1ccc(C)cc1	C106456
PUBCHEM_595	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_595	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_595	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_595	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_595	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_595	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_595	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_595	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_595	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_595	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_595	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_595	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_595	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_595	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_595	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_595	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_595	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_595	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_595	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_595	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_595	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_595	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_595	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_595	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_595	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_595	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_595	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_595	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_595	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_595	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_595	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_595	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_595	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_595	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_595	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_595	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_595	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_595	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_595	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_595	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_595	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_595	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_595	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_595	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_595	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_595	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_595	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_595	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_595	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_595	c1ccccc1OCCO	C122996
PUBCHEM_595	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_595	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_595	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_595	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_595	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_595	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_595	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_595	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_595	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_595	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_595	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_595	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_595	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_595	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_595	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_595	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_595	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_595	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_595	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_595	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_595	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_595	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_595	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_595	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_595	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_595	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_595	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_595	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_595	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_595	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_595	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_595	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_595	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_595	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_595	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_595	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_595	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_595	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_595	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_595	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_595	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_595	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_595	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_595	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_595	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_595	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_595	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_595	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_595	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_595	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_595	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_595	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_595	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_595	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_595	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_595	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_595	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_595	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_595	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_595	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_595	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_595	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_595	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_595	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_595	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_595	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_595	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_595	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_595	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_595	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_595	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_595	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_595	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_595	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_595	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_595	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_595	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_595	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_595	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_595	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_595	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_595	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_595	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_595	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_595	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_595	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_595	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_595	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_595	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_595	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_595	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_595	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_595	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_595	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_595	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_595	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_595	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_595	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_595	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_595	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_595	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_595	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_595	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_595	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_595	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_595	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_595	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_595	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_595	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_595	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_595	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_595	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_595	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_595	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_595	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_595	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_595	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_595	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_595	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_595	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_595	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_595	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_595	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_595	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_595	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_595	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_595	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_595	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_595	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_595	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_595	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_595	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_595	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_595	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_595	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_595	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_595	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_595	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_595	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_595	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_595	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_595	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_595	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_595	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_595	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_595	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_595	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_595	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_595	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_595	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_595	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_595	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_595	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_595	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_595	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_595	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_595	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_595	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_595	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_595	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_595	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_595	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_595	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_595	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_595	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_595	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_595	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_595	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_595	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_595	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_595	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_595	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_595	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_595	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_595	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_595	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_595	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_595	c1coc2c1cccc2	C271896
PUBCHEM_595	OC(=O)c1ccccc1	C65850
PUBCHEM_595	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_595	OCc1ccccc1	C100516
PUBCHEM_595	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_595	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_595	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_595	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_595	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_595	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_595	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_595	Oc1c(cccc1)O	C120809
PUBCHEM_595	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_595	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_595	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_595	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_595	O=C(c1ccccc1)CCl	C532274
PUBCHEM_595	Nc1ccc(cc1)Cl	C106478
PUBCHEM_595	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_595	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_595	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_595	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_595	Nc1cc(ccc1OC)C	C120718
PUBCHEM_595	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_595	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_595	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_595	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_595	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_595	Clc1c(cccc1)Cl	C95501
PUBCHEM_595	Clc1ccc(cc1)Cl	C106467
PUBCHEM_595	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_595	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_595	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_595	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_595	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_595	CN(c1ccccc1)C	C121697
PUBCHEM_595	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_595	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_595	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_595	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_595	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_595	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_595	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_595	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_595	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_595	O=Cc1ccco1	C98011
PUBCHEM_595	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_595	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_595	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_595	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_595	Oc1ccc(cc1)O	C123319
PUBCHEM_595	Oc1cccc2cccnc12	C148243
PUBCHEM_595	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_595	O=C(c1ccncc1)NN	C54853
PUBCHEM_595	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_595	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_595	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_595	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_595	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_595	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_595	Cc1cc2cccnc2cc1	C91623
PUBCHEM_595	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_595	c1c2c(ccc1)cccc2	C91203
PUBCHEM_595	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_595	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_595	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_595	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_595	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_595	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_595	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_595	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_595	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_595	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_595	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_595	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_595	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_595	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_595	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_595	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_595	Oc1ccccc1	C108952
PUBCHEM_595	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_595	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_595	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_595	Nc1cc(ccc1)N	C108452
PUBCHEM_595	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_595	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_595	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_595	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_595	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_595	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_595	Oc1cc(ccc1)O	C108463
PUBCHEM_595	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_595	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_595	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_595	C1C(c2ccccc2)O1	C96093
PUBCHEM_595	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_595	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_595	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_595	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_595	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_595	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_595	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_595	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_595	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_595	Oc1ccccc1Cl	C95578
PUBCHEM_595	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_595	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_595	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_595	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_595	n1cccc2c1cccc2	C91225
PUBCHEM_595	CCN(CC)c1ccccc1	C91667
PUBCHEM_595	Oc1c(C)cccc1	C95487
PUBCHEM_595	c1ccccc1C(=O)C	C98862
PUBCHEM_595	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_595	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_595	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_595	CCNc1cc(C)ccc1	C102272
PUBCHEM_595	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_595	Oc1ccc(C)cc1	C106445
PUBCHEM_595	Nc1ccc(C)cc1	C106490
PUBCHEM_595	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_595	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_595	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_595	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_595	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_595	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_595	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_595	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_595	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_595	Clc1cc(Cl)ccc1	C541731
PUBCHEM_595	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_595	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_595	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_595	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_595	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_595	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_595	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_595	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_595	c1(CCCC)ccccc1	C104518
PUBCHEM_595	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_595	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_595	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_595	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_595	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_595	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_595	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_595	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_595	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_595	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_595	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_595	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_595	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_595	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_595	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_595	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_595	Nc1c(OC)cccc1	C90040
PUBCHEM_595	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_595	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_595	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_595	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_595	Cc1ccccc1Cl	C95498
PUBCHEM_595	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_595	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_595	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_595	Oc1c(cccc1C)C	C576261
PUBCHEM_595	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_595	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_595	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_595	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_595	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_595	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_595	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_595	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_595	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_595	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_595	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_595	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_595	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_595	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_595	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_595	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_595	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_595	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_595	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_595	Cc1ccc(Cl)cc1	C106434
PUBCHEM_595	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_595	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_595	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_595	Nc1cc(C)ccc1N	C496720
PUBCHEM_595	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_595	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_595	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_595	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_595	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_595	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_595	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_595	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_595	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_595	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_595	N(c1ccccc1)CC	C103695
PUBCHEM_595	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_595	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_595	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_595	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_595	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_595	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_595	Nc1c(N)cccc1	C95545
PUBCHEM_595	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_595	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_595	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_595	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_595	Nc1c(cccc1)C	C95534
PUBCHEM_595	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_595	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_595	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_595	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_595	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_595	Nc1c(cccc1C)C	C87627
PUBCHEM_595	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_595	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_595	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_595	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_595	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_595	N#Cc1cnccc1	C100549
PUBCHEM_595	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_595	Nc1cccc(C)c1	C108441
PUBCHEM_595	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_595	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_595	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_595	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_595	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_595	Nc1c(CC)cccc1CC	C579668
PUBCHEM_595	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_595	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_595	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_595	Nc1cccc(C)c1N	C2687254
PUBCHEM_595	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_595	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_595	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_595	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_595	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_595	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_595	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_595	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_595	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_595	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_595	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_595	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_595	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_595	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_595	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_595	O=Cc1ccccc1C=O	C643798
PUBCHEM_595	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_595	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_595	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_595	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_595	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_595	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_595	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_595	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_595	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_595	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_595	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_595	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_595	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_595	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_595	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_595	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_595	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_595	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_595	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_595	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_595	CCCc1ccccc1	C103651
PUBCHEM_595	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_595	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_595	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_595	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_595	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_595	CC(C)(C)c1ccccc1	C98066
PUBCHEM_595	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_595	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_595	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_595	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_595	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_595	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_595	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_595	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_595	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_595	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_595	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_595	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_595	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_595	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_595	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_595	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_595	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_595	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_595	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_595	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_595	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_595	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_595	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_595	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_595	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_595	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_595	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_595	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_595	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_595	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_595	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_595	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_595	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_595	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_595	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_595	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_595	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_595	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_595	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_595	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_595	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_595	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_595	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_595	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_595	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_595	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_595	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_595	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_595	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_595	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_595	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_595	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_595	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_595	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_595	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_595	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_595	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_595	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_595	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_595	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_595	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_595	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_595	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_595	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_595	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_595	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_595	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_595	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_595	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_595	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_595	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_595	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_595	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_595	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_595	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_595	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_595	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_595	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_595	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_595	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_595	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_595	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_595	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_595	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_595	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_595	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_595	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_595	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_595	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_595	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_595	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_595	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_595	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_595	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_595	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_595	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_595	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_595	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_595	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_595	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_595	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_595	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_595	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_595	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_595	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_595	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_595	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_595	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_595	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_595	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_595	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_595	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_595	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_595	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_595	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_595	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_595	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_595	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_595	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_595	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_595	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_595	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_595	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_595	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_595	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_595	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_595	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_595	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_595	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_595	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_595	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_595	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_595	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_595	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_595	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_595	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_595	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_595	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_595	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_595	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_595	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_595	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_595	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_595	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_595	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_595	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_595	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_595	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_595	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_595	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_595	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_595	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_595	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_595	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_595	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_595	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_595	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_595	O=C(OCC)c1ccccc1	C93890
PUBCHEM_595	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_595	NCc1cccc(CN)c1	C1477550
PUBCHEM_595	n1cc(C)ccc1	C108996
PUBCHEM_595	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_595	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_595	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_595	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_595	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_595	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_595	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_595	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_595	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_595	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_595	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_595	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_595	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_595	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_595	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_595	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_595	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_595	NNc1ccccc1.Cl	C59881
PUBCHEM_595	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_595	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_595	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_595	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_595	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_595	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_595	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_595	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_595	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_595	N#Cc1ccccc1	C100470
PUBCHEM_595	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_595	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_595	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_595	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_595	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_595	Nc1ccc(Br)cc1	C106401
PUBCHEM_595	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_595	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_595	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_595	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_595	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_595	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_595	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_595	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_595	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_595	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_595	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_595	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_595	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_595	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_595	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_595	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_595	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_595	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_595	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_595	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_595	Nc1ccc(OC)cc1	C104949
PUBCHEM_595	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_595	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_595	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_595	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_595	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_595	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_595	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_595	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_595	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_595	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_595	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_595	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_595	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_595	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_595	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_595	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_595	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_595	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_595	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_595	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_595	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_595	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_595	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_595	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_595	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_595	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_595	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_595	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_595	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_595	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_595	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_595	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_595	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_595	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_595	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_595	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_595	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_595	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_595	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_595	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_595	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_595	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_595	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_595	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_595	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_595	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_595	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_595	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_595	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_595	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_595	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_595	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_595	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_595	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_595	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_595	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_595	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_595	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_595	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_595	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_595	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_595	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_595	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_595	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_595	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_595	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_595	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_595	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_595	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_595	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_595	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_595	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_595	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_595	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_595	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_595	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_595	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_595	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_595	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_595	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_595	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_595	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_595	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_595	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_595	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_595	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_595	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_595	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_595	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_595	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_595	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_595	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_595	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_595	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_595	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_595	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_595	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_595	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_595	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_595	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_595	Cl[Hg]c1ccccc1	C100561
PUBCHEM_595	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_595	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_595	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_595	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_595	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_595	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_595	O=[As]c1ccccc1	C637036
PUBCHEM_595	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_595	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_595	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_595	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_595	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_595	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_595	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_595	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_595	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_595	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_595	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_595	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_595	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_595	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_595	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_595	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_595	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_595	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_595	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_595	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_595	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_595	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_595	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_595	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_595	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_595	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_595	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_595	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_595	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_595	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_595	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_595	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_595	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_595	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_595	Nc1cccc(C)n1	C1824813
PUBCHEM_595	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_595	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_595	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_595	CC1COc2ccccc2N1	C32329207
PUBCHEM_595	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_595	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_595	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_595	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_595	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_595	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_595	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_595	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_595	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_595	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_595	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_595	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_595	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_595	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_595	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_595	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_595	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_595	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_595	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_595	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_595	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_595	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_595	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_595	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_595	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_595	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_595	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_595	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_595	CCCCCc1ccco1	C3777693
PUBCHEM_595	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_596	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_596	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_596	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_596	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_596	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_596	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_596	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_596	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_596	n1c[nH]cc1	C288324
PUBCHEM_596	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_596	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_596	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_596	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_596	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_596	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_596	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_596	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_596	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_596	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_596	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_596	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_596	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_596	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_596	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_596	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_596	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_596	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_596	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_596	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_596	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_596	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_596	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_596	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_596	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_596	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_596	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_596	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_596	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_596	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_596	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_596	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_596	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_596	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_596	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_596	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_596	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_596	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_596	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_596	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_596	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_596	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_596	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_596	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_596	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_596	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_596	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_596	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_596	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_596	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_596	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_596	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_596	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_596	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_596	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_596	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_596	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_596	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_596	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_596	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_596	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_596	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_596	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_596	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_596	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_596	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_596	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_596	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_596	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_596	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_596	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_596	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_596	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_596	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_596	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_596	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_596	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_596	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_596	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_596	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_596	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_596	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_596	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_596	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_596	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_596	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_596	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_596	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_596	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_596	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_596	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_596	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_596	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_596	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_596	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_596	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_596	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_596	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_596	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_596	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_596	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_596	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_596	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_596	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_596	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_596	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_596	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_596	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_596	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_596	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_596	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_596	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_596	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_596	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_596	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_596	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_596	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_596	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_596	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_596	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_596	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_596	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_596	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_596	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_596	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_596	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_596	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_596	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_596	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_596	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_596	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_596	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_596	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_596	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_596	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_596	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_596	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_596	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_596	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_596	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_596	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_596	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_596	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_596	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_596	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_596	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_596	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_596	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_596	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_596	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_596	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_596	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_596	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_596	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_596	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_596	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_596	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_596	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_596	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_596	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_596	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_596	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_596	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_596	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_596	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_596	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_596	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_596	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_596	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_596	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_596	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_596	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_596	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_596	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_596	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_596	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_596	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_596	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_596	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_596	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_596	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_596	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_597	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_597	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_597	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_597	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_597	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_597	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_597	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_597	NC(=O)c1cccnc1	C98920
PUBCHEM_597	OC(=O)c1cccnc1	C59676
PUBCHEM_597	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_597	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_597	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_597	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_597	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_597	O=CCc1ccccc1	C122781
PUBCHEM_597	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_597	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_597	O=Cc1ccccc1O	C90028
PUBCHEM_597	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_597	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_597	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_597	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_597	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_597	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_597	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_597	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_597	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_597	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_597	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_597	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_597	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_597	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_597	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_597	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_597	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_597	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_597	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_597	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_597	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_597	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_597	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_597	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_597	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_597	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_597	c1c(CO)occ1	C98000
PUBCHEM_597	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_597	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_597	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_597	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_597	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_597	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_597	O=C(O)c1ccccc1O	C69727
PUBCHEM_597	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_597	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_597	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_597	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_597	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_597	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_597	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_597	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_597	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_597	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_597	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_597	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_597	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_597	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_597	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_597	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_597	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_597	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_597	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_597	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_597	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_597	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_597	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_597	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_597	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_597	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_597	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_597	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_597	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_597	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_597	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_597	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_597	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_597	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_597	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_597	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_597	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_597	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_597	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_597	O=C(c1ccccc1O)C	C118934
PUBCHEM_597	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_597	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_597	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_597	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_597	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_597	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_597	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_597	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_597	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_597	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_597	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_597	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_597	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_597	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_597	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_597	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_597	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_597	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_597	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_597	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_597	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_597	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_597	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_597	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_597	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_597	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_597	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_597	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_597	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_597	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_597	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_597	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_597	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_597	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_597	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_597	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_597	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_597	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_597	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_597	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_597	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_597	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_597	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_597	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_597	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_597	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_597	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_597	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_597	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_597	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_597	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_597	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_597	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_597	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_597	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_597	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_597	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_597	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_597	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_597	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_597	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_597	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_597	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_597	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_597	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_597	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_597	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_597	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_597	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_597	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_597	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_597	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_597	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_597	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_597	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_597	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_597	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_597	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_597	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_597	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_597	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_597	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_597	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_597	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_597	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_597	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_597	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_597	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_597	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_597	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_597	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_597	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_597	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_597	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_597	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_597	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_597	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_597	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_597	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_597	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_597	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_597	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_597	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_597	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_597	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_597	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_597	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_597	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_597	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_597	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_597	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_597	c1coc2c1cccc2	C271896
PUBCHEM_597	OC(=O)c1ccccc1	C65850
PUBCHEM_597	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_597	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_597	O=C(c1ccccc1)CCl	C532274
PUBCHEM_597	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_597	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_597	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_597	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_597	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_597	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_597	O=Cc1ccco1	C98011
PUBCHEM_597	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_597	O=C(c1ccncc1)NN	C54853
PUBCHEM_597	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_597	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_597	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_597	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_597	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_597	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_597	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_597	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_597	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_597	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_597	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_597	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_597	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_597	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_597	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_597	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_597	c1ccccc1C(=O)C	C98862
PUBCHEM_597	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_597	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_597	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_597	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_597	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_597	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_597	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_597	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_597	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_597	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_597	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_597	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_597	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_597	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_597	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_597	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_597	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_597	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_597	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_597	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_597	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_597	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_597	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_597	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_597	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_597	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_597	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_597	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_597	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_597	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_597	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_597	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_597	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_597	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_597	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_597	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_597	O=Cc1ccccc1C=O	C643798
PUBCHEM_597	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_597	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_597	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_597	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_597	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_597	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_597	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_597	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_597	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_597	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_597	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_597	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_597	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_597	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_597	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_597	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_597	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_597	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_597	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_597	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_597	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_597	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_597	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_597	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_597	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_597	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_597	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_597	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_597	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_597	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_597	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_597	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_597	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_597	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_597	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_597	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_597	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_597	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_597	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_597	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_597	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_597	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_597	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_597	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_597	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_597	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_597	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_597	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_597	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_597	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_597	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_597	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_597	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_597	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_597	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_597	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_597	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_597	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_597	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_597	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_597	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_597	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_597	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_597	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_597	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_597	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_597	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_597	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_597	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_597	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_597	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_597	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_597	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_597	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_597	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_597	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_597	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_597	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_597	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_597	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_597	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_597	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_597	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_597	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_597	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_597	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_597	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_597	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_597	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_597	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_597	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_597	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_597	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_597	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_597	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_597	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_597	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_597	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_597	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_597	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_597	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_597	O=C(OCC)c1ccccc1	C93890
PUBCHEM_597	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_597	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_597	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_597	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_597	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_597	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_597	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_597	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_597	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_597	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_597	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_597	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_597	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_597	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_597	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_597	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_597	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_597	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_597	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_597	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_597	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_597	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_597	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_597	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_597	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_597	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_597	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_597	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_597	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_597	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_597	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_597	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_597	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_597	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_597	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_597	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_597	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_597	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_597	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_597	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_597	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_597	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_597	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_597	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_597	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_597	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_597	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_597	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_597	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_597	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_597	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_597	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_597	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_597	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_597	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_597	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_597	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_597	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_597	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_597	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_597	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_597	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_597	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_597	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_597	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_597	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_597	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_597	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_597	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_597	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_597	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_597	CCCCCc1ccco1	C3777693
PUBCHEM_597	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_598	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_598	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_598	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_598	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_598	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_598	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_598	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_598	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_598	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_598	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_598	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_598	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_598	Oc1ccc(Cl)cc1	C106489
PUBCHEM_598	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_598	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_598	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_598	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_598	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_598	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_598	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_598	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_598	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_598	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_598	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_598	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_598	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_598	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_598	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_598	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_598	Clc1cccc(C)c1	C25168052
PUBCHEM_598	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_598	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_598	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_598	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_598	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_598	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_598	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_598	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_598	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_598	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_598	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_598	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_598	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_598	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_598	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_598	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_598	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_598	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_598	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_598	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_598	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_598	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_598	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_598	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_598	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_598	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_598	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_598	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_598	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_598	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_598	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_598	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_598	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_598	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_598	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_598	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_598	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_598	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_598	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_598	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_598	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_598	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_598	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_598	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_598	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_598	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_598	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_598	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_598	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_598	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_598	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_598	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_598	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_598	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_598	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_598	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_598	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_598	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_598	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_598	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_598	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_598	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_598	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_598	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_598	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_598	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_598	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_598	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_598	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_598	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_598	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_598	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_598	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_598	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_598	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_598	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_598	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_598	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_598	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_598	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_598	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_598	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_598	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_598	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_598	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_598	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_598	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_598	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_598	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_598	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_598	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_598	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_598	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_598	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_598	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_598	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_598	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_598	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_598	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_598	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_598	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_598	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_598	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_598	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_598	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_598	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_598	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_598	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_598	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_598	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_598	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_598	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_598	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_598	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_598	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_598	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_598	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_598	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_598	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_598	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_598	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_598	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_598	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_598	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_598	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_598	Nc1ccc(cc1)Cl	C106478
PUBCHEM_598	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_598	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_598	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_598	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_598	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_598	Clc1c(cccc1)Cl	C95501
PUBCHEM_598	Clc1ccc(cc1)Cl	C106467
PUBCHEM_598	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_598	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_598	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_598	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_598	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_598	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_598	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_598	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_598	Oc1ccccc1Cl	C95578
PUBCHEM_598	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_598	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_598	Clc1cc(Cl)ccc1	C541731
PUBCHEM_598	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_598	Cc1ccccc1Cl	C95498
PUBCHEM_598	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_598	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_598	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_598	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_598	Cc1ccc(Cl)cc1	C106434
PUBCHEM_598	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_598	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_598	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_598	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_598	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_598	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_598	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_598	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_598	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_598	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_598	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_598	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_598	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_598	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_598	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_598	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_598	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_598	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_598	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_598	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_598	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_598	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_598	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_598	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_598	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_598	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_598	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_598	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_598	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_598	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_598	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_598	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_598	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_598	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_598	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_598	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_598	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_598	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_598	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_598	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_598	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_598	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_598	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_598	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_598	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_598	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_598	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_598	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_598	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_598	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_598	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_598	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_598	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_598	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_598	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_598	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_598	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_598	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_598	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_598	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_598	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_598	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_598	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_598	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_598	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_598	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_598	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_598	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_598	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_598	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_598	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_598	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_598	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_598	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_598	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_598	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_598	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_598	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_598	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_598	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_598	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_598	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_598	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_598	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_598	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_598	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_598	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_598	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_598	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_598	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_598	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_598	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_598	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_598	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_598	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_598	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_598	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_598	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_600	Nc1ccccc1.Cl	C142041
PUBCHEM_600	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_600	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_600	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_600	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_600	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_600	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_600	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_600	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_600	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_600	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_600	c1cccc2[nH]ccc12	C120729
PUBCHEM_600	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_600	NC(=O)c1cccnc1	C98920
PUBCHEM_600	OC(=O)c1cccnc1	C59676
PUBCHEM_600	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_600	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_600	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_600	Nc1ccc(cc1)N	C106503
PUBCHEM_600	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_600	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_600	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_600	Nc1ccccc1C.Cl	C636215
PUBCHEM_600	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_600	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_600	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_600	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_600	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_600	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_600	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_600	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_600	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_600	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_600	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_600	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_600	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_600	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_600	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_600	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_600	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_600	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_600	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_600	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_600	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_600	c1ccc2ncsc2c1	C95169
PUBCHEM_600	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_600	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_600	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_600	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_600	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_600	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_600	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_600	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_600	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_600	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_600	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_600	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_600	Nc1cccc(C)c1C	C1300738
PUBCHEM_600	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_600	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_600	Nc1c(C)cccc1CC	C24549062
PUBCHEM_600	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_600	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_600	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_600	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_600	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_600	OCn1nc(C)cc1C	C85264331
PUBCHEM_600	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_600	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_600	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_600	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_600	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_600	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_600	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_600	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_600	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_600	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_600	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_600	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_600	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_600	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_600	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_600	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_600	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_600	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_600	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_600	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_600	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_600	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_600	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_600	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_600	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_600	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_600	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_600	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_600	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_600	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_600	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_600	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_600	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_600	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_600	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_600	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_600	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_600	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_600	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_600	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_600	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_600	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_600	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_600	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_600	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_600	O=C(N)Nc1ccccc1	C64108
PUBCHEM_600	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_600	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_600	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_600	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_600	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_600	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_600	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_600	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_600	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_600	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_600	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_600	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_600	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_600	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_600	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_600	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_600	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_600	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_600	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_600	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_600	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_600	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_600	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_600	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_600	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_600	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_600	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_600	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_600	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_600	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_600	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_600	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_600	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_600	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_600	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_600	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_600	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_600	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_600	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_600	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_600	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_600	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_600	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_600	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_600	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_600	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_600	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_600	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_600	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_600	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_600	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_600	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_600	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_600	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_600	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_600	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_600	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_600	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_600	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_600	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_600	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_600	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_600	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_600	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_600	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_600	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_600	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_600	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_600	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_600	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_600	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_600	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_600	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_600	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_600	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_600	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_600	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_600	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_600	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_600	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_600	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_600	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_600	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_600	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_600	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_600	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_600	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_600	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_600	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_600	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_600	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_600	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_600	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_600	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_600	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_600	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_600	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_600	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_600	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_600	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_600	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_600	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_600	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_600	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_600	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_600	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_600	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_600	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_600	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_600	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_600	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_600	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_600	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_600	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_600	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_600	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_600	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_600	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_600	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_600	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_600	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_600	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_600	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_600	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_600	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_600	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_600	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_600	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_600	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_600	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_600	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_600	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_600	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_600	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_600	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_600	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_600	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_600	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_600	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_600	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_600	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_600	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_600	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_600	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_600	Nc1ccc(cc1)Cl	C106478
PUBCHEM_600	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_600	Nc1cc(ccc1OC)C	C120718
PUBCHEM_600	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_600	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_600	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_600	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_600	CN(c1ccccc1)C	C121697
PUBCHEM_600	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_600	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_600	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_600	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_600	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_600	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_600	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_600	Oc1cccc2cccnc12	C148243
PUBCHEM_600	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_600	O=C(c1ccncc1)NN	C54853
PUBCHEM_600	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_600	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_600	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_600	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_600	Cc1cc2cccnc2cc1	C91623
PUBCHEM_600	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_600	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_600	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_600	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_600	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_600	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_600	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_600	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_600	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_600	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_600	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_600	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_600	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_600	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_600	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_600	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_600	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_600	Nc1cc(ccc1)N	C108452
PUBCHEM_600	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_600	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_600	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_600	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_600	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_600	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_600	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_600	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_600	n1cccc2c1cccc2	C91225
PUBCHEM_600	CCN(CC)c1ccccc1	C91667
PUBCHEM_600	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_600	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_600	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_600	CCNc1cc(C)ccc1	C102272
PUBCHEM_600	Nc1ccc(C)cc1	C106490
PUBCHEM_600	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_600	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_600	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_600	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_600	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_600	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_600	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_600	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_600	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_600	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_600	Nc1c(OC)cccc1	C90040
PUBCHEM_600	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_600	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_600	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_600	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_600	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_600	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_600	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_600	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_600	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_600	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_600	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_600	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_600	Nc1cc(C)ccc1N	C496720
PUBCHEM_600	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_600	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_600	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_600	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_600	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_600	N(c1ccccc1)CC	C103695
PUBCHEM_600	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_600	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_600	Nc1c(N)cccc1	C95545
PUBCHEM_600	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_600	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_600	Nc1c(cccc1)C	C95534
PUBCHEM_600	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_600	Nc1c(cccc1C)C	C87627
PUBCHEM_600	N#Cc1cnccc1	C100549
PUBCHEM_600	Nc1cccc(C)c1	C108441
PUBCHEM_600	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_600	Nc1c(CC)cccc1CC	C579668
PUBCHEM_600	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_600	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_600	Nc1cccc(C)c1N	C2687254
PUBCHEM_600	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_600	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_600	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_600	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_600	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_600	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_600	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_600	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_600	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_600	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_600	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_600	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_600	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_600	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_600	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_600	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_600	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_600	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_600	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_600	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_600	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_600	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_600	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_600	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_600	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_600	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_600	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_600	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_600	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_600	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_600	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_600	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_600	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_600	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_600	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_600	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_600	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_600	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_600	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_600	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_600	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_600	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_600	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_600	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_600	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_600	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_600	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_600	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_600	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_600	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_600	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_600	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_600	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_600	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_600	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_600	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_600	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_600	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_600	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_600	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_600	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_600	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_600	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_600	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_600	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_600	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_600	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_600	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_600	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_600	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_600	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_600	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_600	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_600	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_600	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_600	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_600	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_600	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_600	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_600	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_600	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_600	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_600	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_600	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_600	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_600	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_600	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_600	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_600	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_600	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_600	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_600	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_600	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_600	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_600	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_600	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_600	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_600	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_600	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_600	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_600	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_600	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_600	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_600	n1cc(C)ccc1	C108996
PUBCHEM_600	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_600	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_600	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_600	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_600	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_600	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_600	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_600	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_600	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_600	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_600	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_600	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_600	NNc1ccccc1.Cl	C59881
PUBCHEM_600	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_600	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_600	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_600	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_600	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_600	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_600	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_600	Nc1ccc(Br)cc1	C106401
PUBCHEM_600	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_600	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_600	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_600	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_600	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_600	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_600	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_600	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_600	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_600	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_600	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_600	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_600	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_600	Nc1ccc(OC)cc1	C104949
PUBCHEM_600	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_600	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_600	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_600	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_600	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_600	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_600	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_600	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_600	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_600	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_600	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_600	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_600	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_600	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_600	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_600	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_600	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_600	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_600	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_600	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_600	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_600	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_600	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_600	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_600	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_600	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_600	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_600	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_600	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_600	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_600	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_600	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_600	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_600	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_600	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_600	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_600	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_600	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_600	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_600	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_600	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_600	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_600	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_600	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_600	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_600	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_600	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_600	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_600	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_600	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_600	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_600	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_600	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_600	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_600	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_600	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_600	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_600	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_600	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_600	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_600	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_600	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_600	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_600	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_600	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_600	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_600	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_600	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_600	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_600	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_600	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_600	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_600	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_600	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_600	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_600	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_600	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_600	Nc1cccc(C)n1	C1824813
PUBCHEM_600	CC1COc2ccccc2N1	C32329207
PUBCHEM_600	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_600	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_600	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_600	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_600	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_600	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_600	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_600	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_600	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_600	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_601	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_601	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_601	OCn1nc(C)cc1C	C85264331
PUBCHEM_601	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_601	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_601	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_601	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_601	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_601	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_601	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_601	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_601	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_601	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_601	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_601	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_601	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_601	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_601	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_601	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_601	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_601	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_601	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_601	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_601	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_601	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_601	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_601	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_601	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_601	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_601	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_601	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_601	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_601	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_601	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_601	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_601	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_601	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_601	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_601	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_601	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_601	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_601	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_601	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_601	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_601	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_601	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_601	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_601	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_601	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_601	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_601	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_601	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_601	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_601	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_601	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_601	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_601	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_601	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_601	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_601	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_601	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_601	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_601	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_601	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_601	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_601	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_601	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_601	Nc1cc(ccc1)N	C108452
PUBCHEM_601	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_601	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_601	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_601	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_601	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_601	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_601	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_601	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_601	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_601	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_601	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_601	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_601	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_601	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_601	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_601	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_601	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_601	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_601	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_601	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_601	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_601	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_601	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_601	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_601	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_601	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_601	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_601	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_601	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_601	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_601	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_601	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_601	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_601	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_601	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_601	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_601	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_601	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_601	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_601	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_601	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_601	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_601	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_601	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_601	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_601	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_601	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_601	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_601	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_601	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_601	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_601	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_601	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_601	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_601	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_601	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_601	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_601	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_601	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_601	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_601	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_601	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_601	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_601	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_601	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_601	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_601	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_601	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_601	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_601	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_601	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_602	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_602	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_602	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_602	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_602	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_602	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_602	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_602	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_602	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_602	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_602	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_602	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_602	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_602	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_602	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_602	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_602	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_602	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_602	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_602	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_602	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_602	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_602	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_602	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_602	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_602	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_602	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_602	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_602	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_602	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_602	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_602	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_602	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_602	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_602	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_602	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_602	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_602	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_602	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_602	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_602	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_602	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_602	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_602	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_602	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_602	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_602	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_602	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_602	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_602	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_602	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_602	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_602	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_602	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_602	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_602	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_602	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_602	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_602	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_602	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_602	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_602	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_602	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_602	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_602	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_602	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_602	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_602	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_602	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_602	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_602	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_602	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_602	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_602	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_602	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_602	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_602	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_602	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_602	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_602	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_602	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_602	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_602	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_602	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_602	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_602	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_602	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_602	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_602	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_602	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_602	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_602	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_602	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_602	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_602	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_602	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_602	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_602	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_603	Nc1ccccc1.Cl	C142041
PUBCHEM_603	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_603	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_603	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_603	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_603	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_603	CC(=O)OCc1ccccc1	C140114
PUBCHEM_603	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_603	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_603	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_603	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_603	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_603	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_603	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_603	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_603	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_603	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_603	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_603	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_603	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_603	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_603	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_603	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_603	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_603	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_603	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_603	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_603	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_603	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_603	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_603	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_603	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_603	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_603	c1cccc2[nH]ccc12	C120729
PUBCHEM_603	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_603	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_603	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_603	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_603	COc1ccc(cc1)O	C150765
PUBCHEM_603	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_603	C=Cc1ccc(cc1)C	C622979
PUBCHEM_603	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_603	NC(=O)c1cccnc1	C98920
PUBCHEM_603	OC(=O)c1cccnc1	C59676
PUBCHEM_603	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_603	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_603	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_603	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_603	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_603	Nc1ccc(cc1)N	C106503
PUBCHEM_603	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_603	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_603	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_603	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_603	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_603	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_603	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_603	Nc1ccccc1C.Cl	C636215
PUBCHEM_603	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_603	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_603	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_603	O=CCc1ccccc1	C122781
PUBCHEM_603	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_603	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_603	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_603	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_603	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_603	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_603	O=Cc1ccccc1O	C90028
PUBCHEM_603	Oc1cccc2ccccc12	C90153
PUBCHEM_603	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_603	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_603	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_603	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_603	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_603	Oc1ccc(Cl)cc1	C106489
PUBCHEM_603	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_603	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_603	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_603	Oc1ccc(CC)cc1	C123079
PUBCHEM_603	COc1ccc(OC)cc1	C150787
PUBCHEM_603	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_603	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_603	Oc1ccc(CCC)cc1	C645567
PUBCHEM_603	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_603	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_603	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_603	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_603	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_603	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_603	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_603	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_603	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_603	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_603	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_603	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_603	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_603	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_603	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_603	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_603	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_603	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_603	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_603	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_603	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_603	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_603	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_603	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_603	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_603	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_603	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_603	c1(c(CC)cccc1)O	C90006
PUBCHEM_603	c1c(O)cccc1CC	C620177
PUBCHEM_603	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_603	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_603	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_603	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_603	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_603	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_603	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_603	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_603	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_603	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_603	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_603	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_603	c1cccc(OC)c1O	C90051
PUBCHEM_603	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_603	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_603	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_603	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_603	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_603	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_603	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_603	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_603	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_603	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_603	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_603	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_603	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_603	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_603	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_603	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_603	Cc1cc(O)ccc1	C108394
PUBCHEM_603	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_603	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_603	c1ccc2ncsc2c1	C95169
PUBCHEM_603	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_603	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_603	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_603	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_603	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_603	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_603	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_603	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_603	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_603	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_603	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_603	Cc1c(C)cccc1O	C526750
PUBCHEM_603	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_603	C=Cc1ccccc1C=C	C1321740
PUBCHEM_603	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_603	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_603	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_603	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_603	c1c(CO)occ1	C98000
PUBCHEM_603	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_603	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_603	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_603	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_603	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_603	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_603	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_603	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_603	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_603	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_603	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_603	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_603	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_603	c12ccccc1CCCC2	C119642
PUBCHEM_603	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_603	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_603	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_603	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_603	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_603	Cc1cccc(C)c1	C108383
PUBCHEM_603	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_603	OCCc1ccccc1	C60128
PUBCHEM_603	O=C(O)c1ccccc1O	C69727
PUBCHEM_603	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_603	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_603	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_603	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_603	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_603	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_603	Sc1ccccc1	C108985
PUBCHEM_603	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_603	Oc1ccc2ccccc2c1	C135193
PUBCHEM_603	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_603	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_603	Brc1ccc(F)cc1	C460004
PUBCHEM_603	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_603	ClP(c1ccccc1)Cl	C644973
PUBCHEM_603	OC(C)COc1ccccc1	C770354
PUBCHEM_603	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_603	Nc1cccc(C)c1C	C1300738
PUBCHEM_603	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_603	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_603	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_603	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_603	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_603	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_603	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_603	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_603	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_603	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_603	Nc1c(C)cccc1CC	C24549062
PUBCHEM_603	Clc1cccc(C)c1	C25168052
PUBCHEM_603	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_603	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_603	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_603	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_603	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_603	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_603	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_603	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_603	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_603	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_603	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_603	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_603	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_603	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_603	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_603	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_603	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_603	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_603	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_603	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_603	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_603	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_603	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_603	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_603	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_603	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_603	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_603	OCn1nc(C)cc1C	C85264331
PUBCHEM_603	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_603	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_603	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_603	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_603	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_603	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_603	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_603	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_603	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_603	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_603	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_603	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_603	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_603	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_603	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_603	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_603	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_603	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_603	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_603	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_603	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_603	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_603	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_603	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_603	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_603	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_603	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_603	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_603	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_603	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_603	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_603	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_603	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_603	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_603	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_603	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_603	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_603	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_603	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_603	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_603	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_603	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_603	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_603	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_603	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_603	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_603	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_603	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_603	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_603	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_603	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_603	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_603	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_603	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_603	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_603	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_603	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_603	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_603	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_603	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_603	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_603	O=C(c1ccccc1O)C	C118934
PUBCHEM_603	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_603	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_603	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_603	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_603	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_603	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_603	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_603	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_603	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_603	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_603	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_603	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_603	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_603	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_603	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_603	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_603	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_603	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_603	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_603	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_603	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_603	Oc1ccccc1CN(C)C	C120650
PUBCHEM_603	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_603	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_603	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_603	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_603	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_603	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_603	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_603	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_603	OCC=Cc1ccccc1	C104541
PUBCHEM_603	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_603	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_603	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_603	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_603	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_603	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_603	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_603	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_603	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_603	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_603	N#Cc1c(O)cccc1	C611201
PUBCHEM_603	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_603	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_603	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_603	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_603	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_603	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_603	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_603	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_603	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_603	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_603	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_603	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_603	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_603	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_603	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_603	c12ccccc1CC=C2	C95136
PUBCHEM_603	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_603	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_603	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_603	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_603	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_603	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_603	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_603	Oc1c(OCC)cccc1	C94713
PUBCHEM_603	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_603	COc1ccc(CCC)cc1	C104450
PUBCHEM_603	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_603	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_603	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_603	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_603	OC(CO)c1ccccc1	C93561
PUBCHEM_603	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_603	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_603	O=C(N)Nc1ccccc1	C64108
PUBCHEM_603	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_603	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_603	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_603	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_603	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_603	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_603	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_603	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_603	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_603	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_603	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_603	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_603	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_603	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_603	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_603	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_603	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_603	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_603	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_603	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_603	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_603	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_603	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_603	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_603	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_603	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_603	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_603	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_603	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_603	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_603	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_603	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_603	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_603	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_603	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_603	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_603	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_603	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_603	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_603	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_603	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_603	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_603	Sc1ccc(C)cc1	C106456
PUBCHEM_603	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_603	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_603	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_603	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_603	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_603	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_603	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_603	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_603	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_603	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_603	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_603	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_603	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_603	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_603	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_603	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_603	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_603	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_603	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_603	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_603	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_603	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_603	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_603	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_603	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_603	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_603	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_603	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_603	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_603	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_603	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_603	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_603	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_603	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_603	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_603	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_603	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_603	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_603	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_603	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_603	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_603	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_603	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_603	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_603	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_603	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_603	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_603	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_603	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_603	c1ccccc1OCCO	C122996
PUBCHEM_603	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_603	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_603	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_603	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_603	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_603	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_603	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_603	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_603	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_603	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_603	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_603	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_603	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_603	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_603	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_603	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_603	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_603	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_603	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_603	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_603	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_603	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_603	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_603	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_603	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_603	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_603	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_603	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_603	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_603	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_603	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_603	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_603	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_603	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_603	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_603	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_603	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_603	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_603	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_603	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_603	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_603	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_603	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_603	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_603	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_603	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_603	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_603	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_603	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_603	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_603	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_603	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_603	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_603	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_603	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_603	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_603	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_603	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_603	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_603	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_603	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_603	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_603	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_603	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_603	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_603	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_603	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_603	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_603	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_603	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_603	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_603	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_603	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_603	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_603	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_603	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_603	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_603	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_603	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_603	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_603	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_603	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_603	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_603	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_603	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_603	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_603	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_603	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_603	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_603	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_603	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_603	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_603	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_603	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_603	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_603	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_603	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_603	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_603	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_603	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_603	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_603	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_603	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_603	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_603	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_603	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_603	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_603	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_603	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_603	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_603	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_603	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_603	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_603	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_603	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_603	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_603	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_603	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_603	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_603	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_603	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_603	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_603	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_603	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_603	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_603	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_603	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_603	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_603	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_603	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_603	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_603	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_603	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_603	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_603	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_603	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_603	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_603	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_603	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_603	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_603	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_603	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_603	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_603	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_603	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_603	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_603	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_603	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_603	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_603	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_603	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_603	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_603	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_603	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_603	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_603	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_603	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_603	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_603	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_603	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_603	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_603	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_603	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_603	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_603	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_603	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_603	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_603	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_603	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_603	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_603	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_603	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_603	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_603	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_603	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_603	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_603	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_603	c1coc2c1cccc2	C271896
PUBCHEM_603	OC(=O)c1ccccc1	C65850
PUBCHEM_603	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_603	OCc1ccccc1	C100516
PUBCHEM_603	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_603	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_603	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_603	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_603	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_603	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_603	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_603	Oc1c(cccc1)O	C120809
PUBCHEM_603	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_603	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_603	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_603	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_603	O=C(c1ccccc1)CCl	C532274
PUBCHEM_603	Nc1ccc(cc1)Cl	C106478
PUBCHEM_603	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_603	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_603	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_603	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_603	Nc1cc(ccc1OC)C	C120718
PUBCHEM_603	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_603	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_603	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_603	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_603	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_603	Clc1c(cccc1)Cl	C95501
PUBCHEM_603	Clc1ccc(cc1)Cl	C106467
PUBCHEM_603	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_603	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_603	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_603	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_603	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_603	CN(c1ccccc1)C	C121697
PUBCHEM_603	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_603	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_603	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_603	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_603	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_603	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_603	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_603	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_603	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_603	O=Cc1ccco1	C98011
PUBCHEM_603	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_603	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_603	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_603	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_603	Oc1ccc(cc1)O	C123319
PUBCHEM_603	Oc1cccc2cccnc12	C148243
PUBCHEM_603	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_603	O=C(c1ccncc1)NN	C54853
PUBCHEM_603	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_603	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_603	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_603	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_603	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_603	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_603	Cc1cc2cccnc2cc1	C91623
PUBCHEM_603	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_603	c1c2c(ccc1)cccc2	C91203
PUBCHEM_603	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_603	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_603	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_603	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_603	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_603	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_603	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_603	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_603	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_603	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_603	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_603	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_603	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_603	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_603	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_603	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_603	Oc1ccccc1	C108952
PUBCHEM_603	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_603	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_603	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_603	Nc1cc(ccc1)N	C108452
PUBCHEM_603	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_603	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_603	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_603	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_603	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_603	Oc1cc(ccc1)O	C108463
PUBCHEM_603	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_603	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_603	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_603	C1C(c2ccccc2)O1	C96093
PUBCHEM_603	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_603	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_603	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_603	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_603	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_603	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_603	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_603	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_603	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_603	Oc1ccccc1Cl	C95578
PUBCHEM_603	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_603	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_603	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_603	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_603	n1cccc2c1cccc2	C91225
PUBCHEM_603	CCN(CC)c1ccccc1	C91667
PUBCHEM_603	Oc1c(C)cccc1	C95487
PUBCHEM_603	c1ccccc1C(=O)C	C98862
PUBCHEM_603	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_603	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_603	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_603	CCNc1cc(C)ccc1	C102272
PUBCHEM_603	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_603	Oc1ccc(C)cc1	C106445
PUBCHEM_603	Nc1ccc(C)cc1	C106490
PUBCHEM_603	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_603	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_603	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_603	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_603	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_603	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_603	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_603	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_603	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_603	Clc1cc(Cl)ccc1	C541731
PUBCHEM_603	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_603	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_603	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_603	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_603	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_603	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_603	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_603	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_603	c1(CCCC)ccccc1	C104518
PUBCHEM_603	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_603	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_603	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_603	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_603	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_603	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_603	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_603	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_603	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_603	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_603	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_603	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_603	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_603	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_603	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_603	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_603	Nc1c(OC)cccc1	C90040
PUBCHEM_603	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_603	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_603	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_603	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_603	Cc1ccccc1Cl	C95498
PUBCHEM_603	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_603	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_603	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_603	Oc1c(cccc1C)C	C576261
PUBCHEM_603	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_603	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_603	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_603	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_603	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_603	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_603	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_603	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_603	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_603	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_603	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_603	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_603	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_603	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_603	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_603	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_603	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_603	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_603	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_603	Cc1ccc(Cl)cc1	C106434
PUBCHEM_603	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_603	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_603	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_603	Nc1cc(C)ccc1N	C496720
PUBCHEM_603	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_603	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_603	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_603	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_603	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_603	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_603	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_603	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_603	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_603	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_603	N(c1ccccc1)CC	C103695
PUBCHEM_603	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_603	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_603	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_603	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_603	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_603	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_603	Nc1c(N)cccc1	C95545
PUBCHEM_603	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_603	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_603	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_603	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_603	Nc1c(cccc1)C	C95534
PUBCHEM_603	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_603	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_603	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_603	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_603	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_603	Nc1c(cccc1C)C	C87627
PUBCHEM_603	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_603	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_603	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_603	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_603	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_603	N#Cc1cnccc1	C100549
PUBCHEM_603	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_603	Nc1cccc(C)c1	C108441
PUBCHEM_603	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_603	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_603	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_603	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_603	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_603	Nc1c(CC)cccc1CC	C579668
PUBCHEM_603	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_603	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_603	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_603	Nc1cccc(C)c1N	C2687254
PUBCHEM_603	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_603	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_603	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_603	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_603	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_603	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_603	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_603	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_603	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_603	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_603	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_603	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_603	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_603	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_603	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_603	O=Cc1ccccc1C=O	C643798
PUBCHEM_603	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_603	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_603	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_603	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_603	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_603	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_603	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_603	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_603	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_603	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_603	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_603	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_603	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_603	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_603	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_603	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_603	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_603	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_603	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_603	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_603	CCCc1ccccc1	C103651
PUBCHEM_603	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_603	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_603	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_603	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_603	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_603	CC(C)(C)c1ccccc1	C98066
PUBCHEM_603	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_603	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_603	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_603	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_603	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_603	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_603	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_603	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_603	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_603	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_603	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_603	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_603	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_603	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_603	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_603	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_603	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_603	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_603	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_603	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_603	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_603	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_603	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_603	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_603	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_603	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_603	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_603	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_603	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_603	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_603	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_603	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_603	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_603	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_603	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_603	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_603	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_603	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_603	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_603	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_603	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_603	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_603	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_603	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_603	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_603	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_603	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_603	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_603	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_603	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_603	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_603	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_603	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_603	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_603	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_603	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_603	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_603	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_603	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_603	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_603	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_603	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_603	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_603	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_603	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_603	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_603	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_603	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_603	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_603	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_603	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_603	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_603	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_603	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_603	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_603	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_603	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_603	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_603	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_603	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_603	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_603	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_603	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_603	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_603	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_603	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_603	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_603	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_603	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_603	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_603	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_603	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_603	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_603	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_603	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_603	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_603	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_603	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_603	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_603	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_603	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_603	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_603	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_603	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_603	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_603	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_603	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_603	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_603	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_603	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_603	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_603	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_603	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_603	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_603	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_603	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_603	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_603	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_603	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_603	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_603	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_603	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_603	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_603	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_603	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_603	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_603	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_603	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_603	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_603	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_603	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_603	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_603	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_603	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_603	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_603	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_603	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_603	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_603	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_603	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_603	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_603	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_603	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_603	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_603	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_603	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_603	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_603	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_603	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_603	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_603	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_603	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_603	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_603	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_603	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_603	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_603	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_603	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_603	O=C(OCC)c1ccccc1	C93890
PUBCHEM_603	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_603	NCc1cccc(CN)c1	C1477550
PUBCHEM_603	n1cc(C)ccc1	C108996
PUBCHEM_603	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_603	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_603	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_603	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_603	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_603	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_603	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_603	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_603	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_603	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_603	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_603	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_603	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_603	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_603	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_603	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_603	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_603	NNc1ccccc1.Cl	C59881
PUBCHEM_603	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_603	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_603	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_603	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_603	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_603	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_603	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_603	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_603	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_603	N#Cc1ccccc1	C100470
PUBCHEM_603	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_603	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_603	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_603	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_603	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_603	Nc1ccc(Br)cc1	C106401
PUBCHEM_603	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_603	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_603	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_603	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_603	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_603	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_603	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_603	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_603	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_603	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_603	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_603	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_603	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_603	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_603	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_603	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_603	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_603	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_603	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_603	Nc1ccc(OC)cc1	C104949
PUBCHEM_603	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_603	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_603	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_603	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_603	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_603	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_603	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_603	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_603	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_603	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_603	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_603	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_603	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_603	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_603	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_603	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_603	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_603	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_603	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_603	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_603	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_603	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_603	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_603	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_603	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_603	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_603	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_603	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_603	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_603	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_603	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_603	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_603	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_603	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_603	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_603	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_603	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_603	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_603	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_603	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_603	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_603	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_603	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_603	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_603	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_603	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_603	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_603	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_603	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_603	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_603	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_603	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_603	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_603	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_603	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_603	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_603	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_603	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_603	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_603	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_603	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_603	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_603	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_603	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_603	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_603	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_603	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_603	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_603	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_603	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_603	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_603	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_603	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_603	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_603	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_603	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_603	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_603	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_603	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_603	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_603	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_603	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_603	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_603	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_603	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_603	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_603	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_603	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_603	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_603	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_603	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_603	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_603	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_603	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_603	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_603	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_603	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_603	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_603	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_603	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_603	Cl[Hg]c1ccccc1	C100561
PUBCHEM_603	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_603	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_603	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_603	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_603	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_603	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_603	O=[As]c1ccccc1	C637036
PUBCHEM_603	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_603	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_603	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_603	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_603	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_603	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_603	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_603	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_603	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_603	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_603	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_603	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_603	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_603	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_603	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_603	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_603	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_603	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_603	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_603	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_603	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_603	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_603	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_603	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_603	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_603	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_603	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_603	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_603	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_603	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_603	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_603	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_603	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_603	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_603	Nc1cccc(C)n1	C1824813
PUBCHEM_603	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_603	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_603	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_603	CC1COc2ccccc2N1	C32329207
PUBCHEM_603	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_603	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_603	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_603	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_603	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_603	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_603	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_603	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_603	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_603	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_603	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_603	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_603	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_603	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_603	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_603	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_603	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_603	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_603	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_603	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_603	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_603	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_603	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_603	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_603	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_603	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_603	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_603	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_603	CCCCCc1ccco1	C3777693
PUBCHEM_603	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_604	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_604	CC(=O)OCc1ccccc1	C140114
PUBCHEM_604	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_604	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_604	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_604	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_604	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_604	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_604	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_604	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_604	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_604	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_604	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_604	COc1ccc(cc1)O	C150765
PUBCHEM_604	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_604	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_604	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_604	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_604	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_604	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_604	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_604	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_604	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_604	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_604	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_604	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_604	COc1ccc(OC)cc1	C150787
PUBCHEM_604	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_604	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_604	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_604	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_604	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_604	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_604	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_604	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_604	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_604	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_604	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_604	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_604	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_604	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_604	c1cccc(OC)c1O	C90051
PUBCHEM_604	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_604	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_604	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_604	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_604	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_604	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_604	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_604	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_604	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_604	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_604	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_604	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_604	c1c(CO)occ1	C98000
PUBCHEM_604	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_604	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_604	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_604	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_604	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_604	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_604	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_604	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_604	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_604	OC(C)COc1ccccc1	C770354
PUBCHEM_604	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_604	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_604	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_604	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_604	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_604	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_604	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_604	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_604	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_604	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_604	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_604	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_604	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_604	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_604	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_604	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_604	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_604	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_604	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_604	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_604	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_604	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_604	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_604	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_604	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_604	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_604	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_604	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_604	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_604	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_604	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_604	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_604	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_604	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_604	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_604	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_604	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_604	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_604	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_604	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_604	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_604	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_604	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_604	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_604	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_604	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_604	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_604	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_604	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_604	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_604	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_604	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_604	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_604	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_604	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_604	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_604	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_604	Oc1c(OCC)cccc1	C94713
PUBCHEM_604	COc1ccc(CCC)cc1	C104450
PUBCHEM_604	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_604	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_604	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_604	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_604	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_604	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_604	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_604	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_604	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_604	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_604	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_604	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_604	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_604	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_604	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_604	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_604	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_604	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_604	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_604	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_604	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_604	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_604	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_604	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_604	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_604	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_604	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_604	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_604	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_604	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_604	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_604	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_604	c1ccccc1OCCO	C122996
PUBCHEM_604	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_604	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_604	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_604	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_604	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_604	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_604	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_604	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_604	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_604	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_604	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_604	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_604	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_604	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_604	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_604	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_604	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_604	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_604	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_604	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_604	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_604	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_604	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_604	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_604	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_604	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_604	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_604	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_604	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_604	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_604	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_604	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_604	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_604	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_604	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_604	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_604	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_604	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_604	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_604	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_604	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_604	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_604	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_604	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_604	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_604	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_604	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_604	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_604	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_604	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_604	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_604	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_604	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_604	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_604	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_604	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_604	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_604	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_604	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_604	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_604	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_604	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_604	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_604	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_604	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_604	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_604	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_604	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_604	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_604	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_604	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_604	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_604	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_604	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_604	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_604	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_604	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_604	c1coc2c1cccc2	C271896
PUBCHEM_604	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_604	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_604	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_604	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_604	Nc1cc(ccc1OC)C	C120718
PUBCHEM_604	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_604	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_604	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_604	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_604	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_604	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_604	O=Cc1ccco1	C98011
PUBCHEM_604	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_604	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_604	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_604	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_604	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_604	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_604	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_604	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_604	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_604	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_604	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_604	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_604	C1C(c2ccccc2)O1	C96093
PUBCHEM_604	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_604	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_604	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_604	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_604	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_604	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_604	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_604	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_604	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_604	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_604	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_604	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_604	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_604	Nc1c(OC)cccc1	C90040
PUBCHEM_604	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_604	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_604	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_604	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_604	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_604	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_604	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_604	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_604	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_604	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_604	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_604	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_604	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_604	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_604	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_604	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_604	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_604	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_604	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_604	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_604	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_604	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_604	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_604	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_604	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_604	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_604	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_604	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_604	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_604	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_604	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_604	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_604	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_604	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_604	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_604	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_604	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_604	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_604	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_604	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_604	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_604	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_604	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_604	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_604	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_604	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_604	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_604	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_604	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_604	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_604	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_604	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_604	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_604	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_604	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_604	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_604	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_604	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_604	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_604	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_604	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_604	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_604	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_604	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_604	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_604	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_604	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_604	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_604	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_604	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_604	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_604	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_604	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_604	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_604	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_604	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_604	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_604	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_604	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_604	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_604	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_604	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_604	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_604	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_604	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_604	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_604	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_604	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_604	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_604	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_604	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_604	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_604	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_604	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_604	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_604	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_604	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_604	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_604	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_604	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_604	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_604	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_604	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_604	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_604	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_604	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_604	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_604	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_604	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_604	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_604	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_604	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_604	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_604	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_604	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_604	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_604	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_604	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_604	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_604	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_604	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_604	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_604	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_604	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_604	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_604	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_604	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_604	O=C(OCC)c1ccccc1	C93890
PUBCHEM_604	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_604	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_604	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_604	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_604	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_604	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_604	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_604	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_604	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_604	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_604	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_604	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_604	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_604	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_604	Nc1ccc(OC)cc1	C104949
PUBCHEM_604	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_604	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_604	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_604	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_604	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_604	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_604	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_604	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_604	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_604	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_604	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_604	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_604	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_604	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_604	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_604	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_604	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_604	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_604	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_604	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_604	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_604	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_604	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_604	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_604	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_604	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_604	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_604	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_604	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_604	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_604	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_604	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_604	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_604	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_604	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_604	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_604	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_604	CC1COc2ccccc2N1	C32329207
PUBCHEM_604	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_604	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_604	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_604	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_604	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_604	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_604	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_604	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_604	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_604	CCCCCc1ccco1	C3777693
PUBCHEM_605	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_605	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_605	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_605	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_605	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_605	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_605	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_605	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_605	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_605	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_605	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_605	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_605	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_605	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_605	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_605	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_605	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_605	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_605	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_605	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_605	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_605	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_605	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_605	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_605	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_605	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_605	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_605	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_605	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_605	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_605	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_605	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_605	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_605	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_605	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_605	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_605	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_605	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_605	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_605	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_605	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_605	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_605	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_605	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_605	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_605	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_605	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_605	O=Cc1ccco1	C98011
PUBCHEM_605	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_605	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_605	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_605	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_605	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_605	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_605	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_605	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_605	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_605	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_605	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_605	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_605	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_605	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_605	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_605	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_605	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_605	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_605	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_605	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_605	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_606	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_606	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_606	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_606	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_606	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_606	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_606	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_606	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_606	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_606	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_606	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_606	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_606	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_606	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_606	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_606	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_606	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_606	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_606	COc1ccc(cc1)O	C150765
PUBCHEM_606	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_606	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_606	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_606	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_606	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_606	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_606	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_606	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_606	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_606	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_606	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_606	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_606	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_606	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_606	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_606	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_606	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_606	O=Cc1ccccc1O	C90028
PUBCHEM_606	Oc1cccc2ccccc12	C90153
PUBCHEM_606	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_606	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_606	Oc1ccc(Cl)cc1	C106489
PUBCHEM_606	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_606	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_606	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_606	Oc1ccc(CC)cc1	C123079
PUBCHEM_606	COc1ccc(OC)cc1	C150787
PUBCHEM_606	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_606	Oc1ccc(CCC)cc1	C645567
PUBCHEM_606	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_606	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_606	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_606	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_606	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_606	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_606	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_606	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_606	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_606	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_606	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_606	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_606	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_606	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_606	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_606	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_606	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_606	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_606	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_606	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_606	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_606	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_606	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_606	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_606	c1(c(CC)cccc1)O	C90006
PUBCHEM_606	c1c(O)cccc1CC	C620177
PUBCHEM_606	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_606	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_606	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_606	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_606	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_606	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_606	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_606	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_606	c1cccc(OC)c1O	C90051
PUBCHEM_606	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_606	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_606	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_606	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_606	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_606	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_606	Cc1cc(O)ccc1	C108394
PUBCHEM_606	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_606	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_606	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_606	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_606	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_606	Cc1c(C)cccc1O	C526750
PUBCHEM_606	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_606	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_606	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_606	c1c(CO)occ1	C98000
PUBCHEM_606	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_606	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_606	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_606	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_606	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_606	O=C(O)c1ccccc1O	C69727
PUBCHEM_606	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_606	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_606	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_606	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_606	Oc1ccc2ccccc2c1	C135193
PUBCHEM_606	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_606	OC(C)COc1ccccc1	C770354
PUBCHEM_606	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_606	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_606	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_606	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_606	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_606	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_606	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_606	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_606	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_606	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_606	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_606	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_606	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_606	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_606	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_606	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_606	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_606	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_606	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_606	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_606	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_606	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_606	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_606	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_606	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_606	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_606	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_606	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_606	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_606	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_606	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_606	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_606	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_606	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_606	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_606	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_606	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_606	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_606	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_606	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_606	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_606	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_606	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_606	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_606	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_606	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_606	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_606	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_606	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_606	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_606	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_606	O=C(c1ccccc1O)C	C118934
PUBCHEM_606	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_606	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_606	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_606	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_606	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_606	Oc1ccccc1CN(C)C	C120650
PUBCHEM_606	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_606	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_606	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_606	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_606	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_606	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_606	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_606	N#Cc1c(O)cccc1	C611201
PUBCHEM_606	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_606	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_606	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_606	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_606	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_606	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_606	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_606	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_606	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_606	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_606	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_606	Oc1c(OCC)cccc1	C94713
PUBCHEM_606	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_606	COc1ccc(CCC)cc1	C104450
PUBCHEM_606	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_606	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_606	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_606	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_606	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_606	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_606	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_606	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_606	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_606	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_606	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_606	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_606	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_606	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_606	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_606	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_606	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_606	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_606	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_606	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_606	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_606	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_606	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_606	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_606	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_606	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_606	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_606	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_606	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_606	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_606	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_606	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_606	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_606	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_606	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_606	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_606	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_606	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_606	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_606	c1ccccc1OCCO	C122996
PUBCHEM_606	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_606	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_606	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_606	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_606	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_606	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_606	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_606	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_606	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_606	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_606	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_606	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_606	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_606	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_606	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_606	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_606	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_606	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_606	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_606	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_606	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_606	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_606	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_606	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_606	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_606	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_606	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_606	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_606	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_606	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_606	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_606	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_606	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_606	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_606	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_606	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_606	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_606	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_606	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_606	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_606	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_606	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_606	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_606	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_606	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_606	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_606	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_606	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_606	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_606	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_606	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_606	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_606	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_606	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_606	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_606	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_606	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_606	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_606	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_606	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_606	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_606	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_606	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_606	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_606	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_606	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_606	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_606	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_606	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_606	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_606	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_606	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_606	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_606	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_606	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_606	c1coc2c1cccc2	C271896
PUBCHEM_606	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_606	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_606	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_606	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_606	Oc1c(cccc1)O	C120809
PUBCHEM_606	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_606	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_606	Nc1cc(ccc1OC)C	C120718
PUBCHEM_606	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_606	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_606	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_606	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_606	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_606	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_606	O=Cc1ccco1	C98011
PUBCHEM_606	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_606	Oc1ccc(cc1)O	C123319
PUBCHEM_606	Oc1cccc2cccnc12	C148243
PUBCHEM_606	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_606	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_606	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_606	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_606	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_606	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_606	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_606	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_606	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_606	Oc1ccccc1	C108952
PUBCHEM_606	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_606	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_606	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_606	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_606	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_606	Oc1cc(ccc1)O	C108463
PUBCHEM_606	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_606	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_606	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_606	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_606	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_606	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_606	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_606	Oc1ccccc1Cl	C95578
PUBCHEM_606	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_606	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_606	Oc1c(C)cccc1	C95487
PUBCHEM_606	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_606	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_606	Oc1ccc(C)cc1	C106445
PUBCHEM_606	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_606	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_606	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_606	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_606	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_606	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_606	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_606	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_606	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_606	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_606	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_606	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_606	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_606	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_606	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_606	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_606	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_606	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_606	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_606	Nc1c(OC)cccc1	C90040
PUBCHEM_606	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_606	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_606	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_606	Oc1c(cccc1C)C	C576261
PUBCHEM_606	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_606	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_606	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_606	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_606	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_606	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_606	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_606	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_606	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_606	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_606	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_606	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_606	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_606	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_606	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_606	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_606	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_606	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_606	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_606	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_606	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_606	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_606	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_606	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_606	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_606	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_606	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_606	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_606	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_606	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_606	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_606	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_606	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_606	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_606	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_606	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_606	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_606	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_606	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_606	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_606	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_606	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_606	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_606	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_606	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_606	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_606	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_606	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_606	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_606	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_606	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_606	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_606	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_606	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_606	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_606	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_606	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_606	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_606	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_606	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_606	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_606	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_606	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_606	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_606	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_606	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_606	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_606	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_606	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_606	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_606	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_606	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_606	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_606	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_606	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_606	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_606	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_606	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_606	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_606	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_606	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_606	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_606	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_606	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_606	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_606	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_606	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_606	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_606	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_606	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_606	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_606	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_606	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_606	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_606	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_606	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_606	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_606	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_606	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_606	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_606	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_606	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_606	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_606	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_606	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_606	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_606	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_606	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_606	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_606	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_606	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_606	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_606	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_606	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_606	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_606	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_606	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_606	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_606	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_606	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_606	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_606	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_606	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_606	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_606	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_606	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_606	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_606	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_606	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_606	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_606	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_606	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_606	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_606	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_606	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_606	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_606	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_606	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_606	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_606	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_606	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_606	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_606	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_606	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_606	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_606	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_606	Nc1ccc(OC)cc1	C104949
PUBCHEM_606	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_606	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_606	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_606	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_606	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_606	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_606	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_606	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_606	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_606	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_606	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_606	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_606	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_606	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_606	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_606	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_606	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_606	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_606	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_606	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_606	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_606	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_606	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_606	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_606	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_606	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_606	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_606	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_606	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_606	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_606	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_606	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_606	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_606	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_606	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_606	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_606	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_606	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_606	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_606	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_606	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_606	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_606	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_606	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_606	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_606	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_606	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_606	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_606	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_606	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_606	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_606	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_606	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_606	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_606	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_606	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_606	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_606	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_606	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_606	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_606	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_606	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_606	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_606	CC1COc2ccccc2N1	C32329207
PUBCHEM_606	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_606	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_606	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_606	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_606	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_606	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_606	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_606	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_606	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_606	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_606	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_606	CCCCCc1ccco1	C3777693
PUBCHEM_607	Nc1ccccc1.Cl	C142041
PUBCHEM_607	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_607	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_607	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_607	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_607	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_607	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_607	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_607	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_607	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_607	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_607	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_607	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_607	c1cccc2[nH]ccc12	C120729
PUBCHEM_607	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_607	NC(=O)c1cccnc1	C98920
PUBCHEM_607	OC(=O)c1cccnc1	C59676
PUBCHEM_607	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_607	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_607	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_607	Nc1ccc(cc1)N	C106503
PUBCHEM_607	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_607	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_607	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_607	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_607	Nc1ccccc1C.Cl	C636215
PUBCHEM_607	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_607	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_607	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_607	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_607	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_607	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_607	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_607	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_607	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_607	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_607	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_607	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_607	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_607	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_607	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_607	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_607	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_607	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_607	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_607	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_607	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_607	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_607	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_607	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_607	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_607	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_607	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_607	c1ccc2ncsc2c1	C95169
PUBCHEM_607	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_607	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_607	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_607	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_607	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_607	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_607	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_607	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_607	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_607	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_607	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_607	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_607	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_607	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_607	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_607	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_607	Nc1cccc(C)c1C	C1300738
PUBCHEM_607	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_607	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_607	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_607	Nc1c(C)cccc1CC	C24549062
PUBCHEM_607	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_607	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_607	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_607	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_607	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_607	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_607	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_607	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_607	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_607	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_607	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_607	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_607	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_607	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_607	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_607	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_607	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_607	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_607	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_607	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_607	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_607	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_607	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_607	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_607	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_607	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_607	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_607	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_607	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_607	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_607	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_607	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_607	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_607	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_607	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_607	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_607	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_607	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_607	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_607	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_607	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_607	Oc1ccccc1CN(C)C	C120650
PUBCHEM_607	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_607	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_607	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_607	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_607	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_607	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_607	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_607	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_607	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_607	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_607	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_607	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_607	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_607	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_607	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_607	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_607	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_607	O=C(N)Nc1ccccc1	C64108
PUBCHEM_607	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_607	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_607	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_607	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_607	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_607	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_607	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_607	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_607	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_607	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_607	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_607	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_607	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_607	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_607	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_607	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_607	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_607	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_607	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_607	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_607	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_607	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_607	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_607	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_607	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_607	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_607	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_607	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_607	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_607	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_607	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_607	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_607	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_607	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_607	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_607	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_607	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_607	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_607	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_607	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_607	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_607	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_607	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_607	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_607	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_607	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_607	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_607	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_607	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_607	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_607	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_607	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_607	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_607	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_607	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_607	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_607	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_607	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_607	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_607	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_607	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_607	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_607	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_607	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_607	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_607	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_607	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_607	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_607	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_607	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_607	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_607	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_607	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_607	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_607	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_607	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_607	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_607	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_607	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_607	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_607	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_607	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_607	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_607	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_607	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_607	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_607	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_607	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_607	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_607	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_607	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_607	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_607	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_607	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_607	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_607	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_607	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_607	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_607	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_607	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_607	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_607	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_607	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_607	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_607	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_607	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_607	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_607	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_607	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_607	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_607	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_607	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_607	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_607	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_607	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_607	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_607	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_607	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_607	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_607	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_607	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_607	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_607	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_607	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_607	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_607	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_607	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_607	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_607	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_607	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_607	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_607	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_607	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_607	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_607	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_607	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_607	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_607	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_607	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_607	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_607	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_607	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_607	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_607	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_607	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_607	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_607	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_607	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_607	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_607	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_607	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_607	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_607	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_607	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_607	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_607	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_607	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_607	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_607	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_607	Nc1ccc(cc1)Cl	C106478
PUBCHEM_607	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_607	Nc1cc(ccc1OC)C	C120718
PUBCHEM_607	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_607	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_607	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_607	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_607	CN(c1ccccc1)C	C121697
PUBCHEM_607	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_607	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_607	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_607	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_607	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_607	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_607	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_607	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_607	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_607	Oc1cccc2cccnc12	C148243
PUBCHEM_607	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_607	O=C(c1ccncc1)NN	C54853
PUBCHEM_607	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_607	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_607	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_607	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_607	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_607	Cc1cc2cccnc2cc1	C91623
PUBCHEM_607	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_607	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_607	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_607	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_607	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_607	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_607	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_607	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_607	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_607	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_607	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_607	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_607	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_607	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_607	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_607	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_607	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_607	Nc1cc(ccc1)N	C108452
PUBCHEM_607	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_607	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_607	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_607	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_607	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_607	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_607	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_607	n1cccc2c1cccc2	C91225
PUBCHEM_607	CCN(CC)c1ccccc1	C91667
PUBCHEM_607	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_607	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_607	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_607	CCNc1cc(C)ccc1	C102272
PUBCHEM_607	Nc1ccc(C)cc1	C106490
PUBCHEM_607	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_607	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_607	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_607	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_607	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_607	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_607	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_607	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_607	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_607	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_607	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_607	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_607	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_607	Nc1c(OC)cccc1	C90040
PUBCHEM_607	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_607	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_607	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_607	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_607	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_607	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_607	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_607	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_607	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_607	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_607	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_607	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_607	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_607	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_607	Nc1cc(C)ccc1N	C496720
PUBCHEM_607	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_607	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_607	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_607	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_607	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_607	N(c1ccccc1)CC	C103695
PUBCHEM_607	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_607	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_607	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_607	Nc1c(N)cccc1	C95545
PUBCHEM_607	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_607	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_607	Nc1c(cccc1)C	C95534
PUBCHEM_607	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_607	Nc1c(cccc1C)C	C87627
PUBCHEM_607	N#Cc1cnccc1	C100549
PUBCHEM_607	Nc1cccc(C)c1	C108441
PUBCHEM_607	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_607	Nc1c(CC)cccc1CC	C579668
PUBCHEM_607	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_607	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_607	Nc1cccc(C)c1N	C2687254
PUBCHEM_607	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_607	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_607	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_607	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_607	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_607	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_607	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_607	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_607	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_607	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_607	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_607	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_607	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_607	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_607	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_607	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_607	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_607	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_607	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_607	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_607	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_607	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_607	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_607	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_607	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_607	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_607	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_607	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_607	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_607	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_607	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_607	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_607	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_607	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_607	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_607	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_607	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_607	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_607	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_607	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_607	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_607	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_607	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_607	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_607	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_607	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_607	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_607	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_607	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_607	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_607	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_607	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_607	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_607	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_607	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_607	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_607	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_607	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_607	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_607	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_607	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_607	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_607	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_607	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_607	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_607	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_607	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_607	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_607	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_607	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_607	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_607	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_607	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_607	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_607	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_607	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_607	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_607	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_607	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_607	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_607	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_607	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_607	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_607	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_607	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_607	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_607	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_607	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_607	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_607	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_607	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_607	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_607	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_607	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_607	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_607	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_607	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_607	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_607	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_607	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_607	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_607	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_607	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_607	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_607	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_607	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_607	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_607	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_607	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_607	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_607	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_607	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_607	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_607	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_607	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_607	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_607	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_607	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_607	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_607	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_607	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_607	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_607	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_607	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_607	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_607	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_607	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_607	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_607	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_607	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_607	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_607	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_607	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_607	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_607	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_607	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_607	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_607	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_607	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_607	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_607	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_607	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_607	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_607	NCc1cccc(CN)c1	C1477550
PUBCHEM_607	n1cc(C)ccc1	C108996
PUBCHEM_607	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_607	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_607	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_607	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_607	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_607	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_607	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_607	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_607	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_607	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_607	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_607	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_607	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_607	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_607	NNc1ccccc1.Cl	C59881
PUBCHEM_607	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_607	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_607	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_607	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_607	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_607	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_607	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_607	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_607	Nc1ccc(Br)cc1	C106401
PUBCHEM_607	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_607	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_607	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_607	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_607	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_607	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_607	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_607	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_607	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_607	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_607	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_607	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_607	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_607	Nc1ccc(OC)cc1	C104949
PUBCHEM_607	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_607	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_607	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_607	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_607	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_607	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_607	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_607	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_607	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_607	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_607	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_607	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_607	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_607	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_607	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_607	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_607	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_607	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_607	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_607	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_607	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_607	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_607	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_607	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_607	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_607	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_607	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_607	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_607	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_607	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_607	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_607	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_607	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_607	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_607	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_607	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_607	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_607	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_607	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_607	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_607	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_607	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_607	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_607	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_607	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_607	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_607	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_607	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_607	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_607	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_607	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_607	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_607	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_607	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_607	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_607	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_607	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_607	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_607	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_607	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_607	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_607	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_607	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_607	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_607	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_607	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_607	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_607	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_607	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_607	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_607	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_607	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_607	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_607	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_607	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_607	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_607	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_607	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_607	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_607	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_607	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_607	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_607	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_607	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_607	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_607	Nc1cccc(C)n1	C1824813
PUBCHEM_607	CC1COc2ccccc2N1	C32329207
PUBCHEM_607	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_607	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_607	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_607	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_607	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_607	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_607	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_607	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_607	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_607	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_607	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_607	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_607	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_607	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_608	Nc1ccccc1.Cl	C142041
PUBCHEM_608	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_608	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_608	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_608	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_608	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_608	CC(=O)OCc1ccccc1	C140114
PUBCHEM_608	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_608	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_608	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_608	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_608	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_608	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_608	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_608	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_608	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_608	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_608	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_608	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_608	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_608	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_608	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_608	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_608	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_608	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_608	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_608	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_608	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_608	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_608	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_608	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_608	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_608	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_608	c1cccc2[nH]ccc12	C120729
PUBCHEM_608	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_608	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_608	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_608	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_608	COc1ccc(cc1)O	C150765
PUBCHEM_608	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_608	C=Cc1ccc(cc1)C	C622979
PUBCHEM_608	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_608	NC(=O)c1cccnc1	C98920
PUBCHEM_608	OC(=O)c1cccnc1	C59676
PUBCHEM_608	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_608	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_608	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_608	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_608	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_608	Nc1ccc(cc1)N	C106503
PUBCHEM_608	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_608	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_608	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_608	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_608	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_608	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_608	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_608	Nc1ccccc1C.Cl	C636215
PUBCHEM_608	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_608	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_608	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_608	O=CCc1ccccc1	C122781
PUBCHEM_608	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_608	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_608	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_608	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_608	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_608	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_608	O=Cc1ccccc1O	C90028
PUBCHEM_608	Oc1cccc2ccccc12	C90153
PUBCHEM_608	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_608	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_608	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_608	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_608	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_608	Oc1ccc(Cl)cc1	C106489
PUBCHEM_608	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_608	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_608	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_608	Oc1ccc(CC)cc1	C123079
PUBCHEM_608	COc1ccc(OC)cc1	C150787
PUBCHEM_608	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_608	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_608	Oc1ccc(CCC)cc1	C645567
PUBCHEM_608	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_608	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_608	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_608	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_608	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_608	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_608	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_608	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_608	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_608	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_608	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_608	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_608	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_608	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_608	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_608	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_608	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_608	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_608	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_608	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_608	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_608	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_608	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_608	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_608	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_608	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_608	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_608	c1(c(CC)cccc1)O	C90006
PUBCHEM_608	c1c(O)cccc1CC	C620177
PUBCHEM_608	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_608	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_608	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_608	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_608	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_608	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_608	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_608	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_608	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_608	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_608	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_608	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_608	c1cccc(OC)c1O	C90051
PUBCHEM_608	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_608	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_608	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_608	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_608	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_608	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_608	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_608	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_608	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_608	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_608	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_608	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_608	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_608	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_608	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_608	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_608	Cc1cc(O)ccc1	C108394
PUBCHEM_608	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_608	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_608	c1ccc2ncsc2c1	C95169
PUBCHEM_608	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_608	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_608	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_608	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_608	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_608	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_608	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_608	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_608	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_608	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_608	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_608	Cc1c(C)cccc1O	C526750
PUBCHEM_608	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_608	C=Cc1ccccc1C=C	C1321740
PUBCHEM_608	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_608	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_608	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_608	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_608	c1c(CO)occ1	C98000
PUBCHEM_608	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_608	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_608	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_608	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_608	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_608	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_608	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_608	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_608	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_608	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_608	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_608	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_608	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_608	c12ccccc1CCCC2	C119642
PUBCHEM_608	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_608	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_608	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_608	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_608	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_608	Cc1cccc(C)c1	C108383
PUBCHEM_608	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_608	OCCc1ccccc1	C60128
PUBCHEM_608	O=C(O)c1ccccc1O	C69727
PUBCHEM_608	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_608	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_608	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_608	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_608	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_608	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_608	Sc1ccccc1	C108985
PUBCHEM_608	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_608	Oc1ccc2ccccc2c1	C135193
PUBCHEM_608	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_608	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_608	Brc1ccc(F)cc1	C460004
PUBCHEM_608	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_608	ClP(c1ccccc1)Cl	C644973
PUBCHEM_608	OC(C)COc1ccccc1	C770354
PUBCHEM_608	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_608	Nc1cccc(C)c1C	C1300738
PUBCHEM_608	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_608	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_608	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_608	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_608	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_608	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_608	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_608	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_608	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_608	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_608	Nc1c(C)cccc1CC	C24549062
PUBCHEM_608	Clc1cccc(C)c1	C25168052
PUBCHEM_608	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_608	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_608	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_608	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_608	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_608	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_608	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_608	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_608	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_608	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_608	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_608	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_608	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_608	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_608	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_608	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_608	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_608	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_608	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_608	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_608	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_608	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_608	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_608	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_608	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_608	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_608	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_608	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_608	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_608	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_608	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_608	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_608	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_608	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_608	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_608	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_608	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_608	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_608	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_608	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_608	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_608	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_608	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_608	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_608	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_608	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_608	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_608	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_608	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_608	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_608	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_608	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_608	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_608	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_608	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_608	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_608	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_608	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_608	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_608	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_608	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_608	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_608	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_608	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_608	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_608	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_608	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_608	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_608	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_608	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_608	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_608	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_608	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_608	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_608	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_608	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_608	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_608	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_608	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_608	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_608	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_608	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_608	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_608	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_608	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_608	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_608	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_608	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_608	O=C(c1ccccc1O)C	C118934
PUBCHEM_608	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_608	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_608	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_608	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_608	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_608	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_608	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_608	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_608	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_608	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_608	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_608	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_608	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_608	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_608	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_608	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_608	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_608	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_608	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_608	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_608	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_608	Oc1ccccc1CN(C)C	C120650
PUBCHEM_608	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_608	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_608	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_608	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_608	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_608	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_608	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_608	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_608	OCC=Cc1ccccc1	C104541
PUBCHEM_608	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_608	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_608	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_608	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_608	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_608	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_608	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_608	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_608	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_608	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_608	N#Cc1c(O)cccc1	C611201
PUBCHEM_608	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_608	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_608	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_608	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_608	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_608	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_608	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_608	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_608	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_608	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_608	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_608	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_608	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_608	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_608	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_608	c12ccccc1CC=C2	C95136
PUBCHEM_608	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_608	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_608	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_608	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_608	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_608	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_608	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_608	Oc1c(OCC)cccc1	C94713
PUBCHEM_608	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_608	COc1ccc(CCC)cc1	C104450
PUBCHEM_608	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_608	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_608	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_608	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_608	OC(CO)c1ccccc1	C93561
PUBCHEM_608	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_608	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_608	O=C(N)Nc1ccccc1	C64108
PUBCHEM_608	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_608	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_608	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_608	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_608	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_608	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_608	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_608	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_608	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_608	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_608	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_608	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_608	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_608	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_608	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_608	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_608	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_608	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_608	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_608	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_608	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_608	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_608	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_608	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_608	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_608	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_608	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_608	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_608	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_608	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_608	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_608	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_608	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_608	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_608	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_608	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_608	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_608	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_608	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_608	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_608	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_608	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_608	Sc1ccc(C)cc1	C106456
PUBCHEM_608	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_608	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_608	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_608	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_608	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_608	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_608	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_608	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_608	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_608	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_608	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_608	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_608	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_608	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_608	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_608	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_608	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_608	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_608	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_608	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_608	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_608	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_608	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_608	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_608	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_608	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_608	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_608	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_608	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_608	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_608	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_608	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_608	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_608	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_608	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_608	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_608	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_608	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_608	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_608	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_608	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_608	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_608	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_608	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_608	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_608	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_608	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_608	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_608	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_608	c1ccccc1OCCO	C122996
PUBCHEM_608	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_608	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_608	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_608	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_608	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_608	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_608	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_608	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_608	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_608	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_608	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_608	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_608	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_608	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_608	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_608	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_608	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_608	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_608	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_608	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_608	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_608	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_608	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_608	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_608	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_608	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_608	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_608	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_608	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_608	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_608	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_608	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_608	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_608	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_608	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_608	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_608	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_608	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_608	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_608	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_608	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_608	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_608	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_608	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_608	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_608	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_608	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_608	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_608	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_608	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_608	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_608	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_608	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_608	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_608	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_608	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_608	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_608	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_608	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_608	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_608	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_608	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_608	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_608	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_608	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_608	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_608	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_608	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_608	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_608	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_608	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_608	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_608	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_608	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_608	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_608	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_608	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_608	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_608	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_608	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_608	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_608	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_608	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_608	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_608	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_608	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_608	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_608	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_608	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_608	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_608	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_608	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_608	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_608	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_608	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_608	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_608	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_608	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_608	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_608	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_608	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_608	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_608	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_608	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_608	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_608	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_608	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_608	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_608	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_608	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_608	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_608	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_608	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_608	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_608	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_608	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_608	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_608	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_608	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_608	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_608	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_608	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_608	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_608	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_608	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_608	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_608	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_608	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_608	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_608	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_608	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_608	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_608	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_608	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_608	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_608	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_608	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_608	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_608	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_608	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_608	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_608	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_608	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_608	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_608	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_608	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_608	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_608	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_608	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_608	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_608	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_608	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_608	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_608	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_608	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_608	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_608	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_608	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_608	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_608	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_608	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_608	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_608	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_608	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_608	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_608	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_608	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_608	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_608	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_608	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_608	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_608	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_608	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_608	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_608	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_608	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_608	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_608	c1coc2c1cccc2	C271896
PUBCHEM_608	OC(=O)c1ccccc1	C65850
PUBCHEM_608	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_608	OCc1ccccc1	C100516
PUBCHEM_608	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_608	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_608	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_608	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_608	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_608	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_608	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_608	Oc1c(cccc1)O	C120809
PUBCHEM_608	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_608	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_608	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_608	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_608	O=C(c1ccccc1)CCl	C532274
PUBCHEM_608	Nc1ccc(cc1)Cl	C106478
PUBCHEM_608	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_608	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_608	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_608	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_608	Nc1cc(ccc1OC)C	C120718
PUBCHEM_608	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_608	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_608	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_608	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_608	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_608	Clc1c(cccc1)Cl	C95501
PUBCHEM_608	Clc1ccc(cc1)Cl	C106467
PUBCHEM_608	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_608	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_608	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_608	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_608	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_608	CN(c1ccccc1)C	C121697
PUBCHEM_608	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_608	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_608	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_608	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_608	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_608	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_608	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_608	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_608	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_608	O=Cc1ccco1	C98011
PUBCHEM_608	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_608	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_608	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_608	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_608	Oc1ccc(cc1)O	C123319
PUBCHEM_608	Oc1cccc2cccnc12	C148243
PUBCHEM_608	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_608	O=C(c1ccncc1)NN	C54853
PUBCHEM_608	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_608	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_608	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_608	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_608	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_608	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_608	Cc1cc2cccnc2cc1	C91623
PUBCHEM_608	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_608	c1c2c(ccc1)cccc2	C91203
PUBCHEM_608	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_608	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_608	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_608	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_608	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_608	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_608	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_608	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_608	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_608	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_608	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_608	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_608	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_608	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_608	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_608	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_608	Oc1ccccc1	C108952
PUBCHEM_608	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_608	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_608	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_608	Nc1cc(ccc1)N	C108452
PUBCHEM_608	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_608	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_608	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_608	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_608	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_608	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_608	Oc1cc(ccc1)O	C108463
PUBCHEM_608	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_608	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_608	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_608	C1C(c2ccccc2)O1	C96093
PUBCHEM_608	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_608	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_608	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_608	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_608	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_608	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_608	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_608	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_608	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_608	Oc1ccccc1Cl	C95578
PUBCHEM_608	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_608	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_608	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_608	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_608	n1cccc2c1cccc2	C91225
PUBCHEM_608	CCN(CC)c1ccccc1	C91667
PUBCHEM_608	Oc1c(C)cccc1	C95487
PUBCHEM_608	c1ccccc1C(=O)C	C98862
PUBCHEM_608	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_608	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_608	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_608	CCNc1cc(C)ccc1	C102272
PUBCHEM_608	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_608	Oc1ccc(C)cc1	C106445
PUBCHEM_608	Nc1ccc(C)cc1	C106490
PUBCHEM_608	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_608	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_608	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_608	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_608	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_608	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_608	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_608	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_608	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_608	Clc1cc(Cl)ccc1	C541731
PUBCHEM_608	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_608	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_608	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_608	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_608	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_608	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_608	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_608	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_608	c1(CCCC)ccccc1	C104518
PUBCHEM_608	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_608	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_608	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_608	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_608	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_608	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_608	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_608	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_608	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_608	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_608	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_608	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_608	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_608	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_608	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_608	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_608	Nc1c(OC)cccc1	C90040
PUBCHEM_608	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_608	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_608	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_608	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_608	Cc1ccccc1Cl	C95498
PUBCHEM_608	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_608	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_608	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_608	Oc1c(cccc1C)C	C576261
PUBCHEM_608	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_608	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_608	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_608	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_608	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_608	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_608	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_608	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_608	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_608	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_608	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_608	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_608	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_608	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_608	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_608	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_608	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_608	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_608	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_608	Cc1ccc(Cl)cc1	C106434
PUBCHEM_608	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_608	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_608	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_608	Nc1cc(C)ccc1N	C496720
PUBCHEM_608	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_608	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_608	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_608	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_608	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_608	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_608	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_608	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_608	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_608	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_608	N(c1ccccc1)CC	C103695
PUBCHEM_608	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_608	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_608	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_608	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_608	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_608	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_608	Nc1c(N)cccc1	C95545
PUBCHEM_608	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_608	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_608	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_608	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_608	Nc1c(cccc1)C	C95534
PUBCHEM_608	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_608	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_608	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_608	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_608	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_608	Nc1c(cccc1C)C	C87627
PUBCHEM_608	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_608	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_608	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_608	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_608	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_608	N#Cc1cnccc1	C100549
PUBCHEM_608	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_608	Nc1cccc(C)c1	C108441
PUBCHEM_608	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_608	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_608	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_608	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_608	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_608	Nc1c(CC)cccc1CC	C579668
PUBCHEM_608	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_608	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_608	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_608	Nc1cccc(C)c1N	C2687254
PUBCHEM_608	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_608	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_608	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_608	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_608	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_608	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_608	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_608	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_608	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_608	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_608	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_608	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_608	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_608	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_608	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_608	O=Cc1ccccc1C=O	C643798
PUBCHEM_608	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_608	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_608	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_608	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_608	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_608	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_608	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_608	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_608	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_608	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_608	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_608	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_608	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_608	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_608	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_608	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_608	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_608	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_608	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_608	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_608	CCCc1ccccc1	C103651
PUBCHEM_608	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_608	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_608	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_608	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_608	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_608	CC(C)(C)c1ccccc1	C98066
PUBCHEM_608	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_608	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_608	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_608	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_608	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_608	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_608	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_608	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_608	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_608	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_608	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_608	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_608	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_608	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_608	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_608	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_608	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_608	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_608	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_608	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_608	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_608	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_608	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_608	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_608	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_608	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_608	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_608	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_608	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_608	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_608	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_608	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_608	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_608	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_608	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_608	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_608	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_608	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_608	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_608	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_608	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_608	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_608	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_608	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_608	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_608	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_608	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_608	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_608	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_608	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_608	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_608	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_608	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_608	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_608	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_608	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_608	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_608	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_608	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_608	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_608	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_608	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_608	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_608	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_608	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_608	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_608	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_608	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_608	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_608	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_608	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_608	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_608	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_608	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_608	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_608	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_608	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_608	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_608	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_608	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_608	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_608	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_608	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_608	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_608	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_608	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_608	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_608	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_608	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_608	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_608	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_608	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_608	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_608	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_608	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_608	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_608	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_608	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_608	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_608	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_608	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_608	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_608	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_608	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_608	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_608	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_608	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_608	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_608	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_608	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_608	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_608	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_608	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_608	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_608	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_608	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_608	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_608	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_608	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_608	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_608	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_608	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_608	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_608	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_608	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_608	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_608	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_608	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_608	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_608	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_608	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_608	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_608	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_608	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_608	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_608	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_608	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_608	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_608	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_608	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_608	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_608	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_608	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_608	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_608	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_608	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_608	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_608	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_608	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_608	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_608	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_608	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_608	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_608	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_608	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_608	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_608	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_608	O=C(OCC)c1ccccc1	C93890
PUBCHEM_608	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_608	NCc1cccc(CN)c1	C1477550
PUBCHEM_608	n1cc(C)ccc1	C108996
PUBCHEM_608	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_608	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_608	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_608	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_608	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_608	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_608	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_608	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_608	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_608	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_608	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_608	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_608	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_608	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_608	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_608	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_608	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_608	NNc1ccccc1.Cl	C59881
PUBCHEM_608	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_608	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_608	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_608	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_608	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_608	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_608	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_608	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_608	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_608	N#Cc1ccccc1	C100470
PUBCHEM_608	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_608	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_608	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_608	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_608	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_608	Nc1ccc(Br)cc1	C106401
PUBCHEM_608	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_608	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_608	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_608	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_608	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_608	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_608	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_608	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_608	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_608	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_608	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_608	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_608	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_608	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_608	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_608	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_608	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_608	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_608	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_608	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_608	Nc1ccc(OC)cc1	C104949
PUBCHEM_608	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_608	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_608	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_608	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_608	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_608	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_608	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_608	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_608	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_608	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_608	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_608	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_608	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_608	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_608	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_608	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_608	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_608	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_608	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_608	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_608	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_608	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_608	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_608	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_608	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_608	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_608	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_608	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_608	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_608	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_608	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_608	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_608	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_608	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_608	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_608	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_608	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_608	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_608	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_608	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_608	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_608	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_608	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_608	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_608	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_608	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_608	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_608	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_608	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_608	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_608	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_608	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_608	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_608	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_608	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_608	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_608	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_608	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_608	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_608	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_608	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_608	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_608	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_608	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_608	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_608	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_608	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_608	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_608	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_608	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_608	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_608	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_608	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_608	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_608	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_608	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_608	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_608	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_608	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_608	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_608	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_608	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_608	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_608	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_608	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_608	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_608	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_608	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_608	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_608	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_608	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_608	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_608	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_608	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_608	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_608	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_608	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_608	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_608	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_608	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_608	Cl[Hg]c1ccccc1	C100561
PUBCHEM_608	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_608	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_608	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_608	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_608	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_608	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_608	O=[As]c1ccccc1	C637036
PUBCHEM_608	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_608	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_608	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_608	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_608	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_608	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_608	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_608	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_608	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_608	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_608	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_608	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_608	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_608	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_608	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_608	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_608	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_608	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_608	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_608	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_608	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_608	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_608	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_608	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_608	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_608	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_608	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_608	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_608	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_608	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_608	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_608	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_608	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_608	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_608	Nc1cccc(C)n1	C1824813
PUBCHEM_608	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_608	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_608	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_608	CC1COc2ccccc2N1	C32329207
PUBCHEM_608	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_608	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_608	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_608	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_608	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_608	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_608	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_608	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_608	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_608	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_608	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_608	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_608	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_608	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_608	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_608	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_608	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_608	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_608	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_608	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_608	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_608	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_608	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_608	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_608	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_608	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_608	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_608	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_608	CCCCCc1ccco1	C3777693
PUBCHEM_608	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_609	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_609	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_609	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_609	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_609	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_609	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_609	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_609	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_609	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_609	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_609	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_609	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_609	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_609	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_609	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_609	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_609	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_609	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_609	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_609	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_609	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_609	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_609	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_609	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_609	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_609	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_609	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_609	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_609	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_609	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_609	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_609	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_609	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_609	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_609	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_609	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_609	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_609	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_609	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_609	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_609	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_609	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_609	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_609	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_609	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_609	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_609	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_609	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_609	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_609	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_609	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_609	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_609	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_609	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_609	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_609	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_609	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_609	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_609	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_609	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_609	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_609	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_609	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_609	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_610	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_610	O=C1OCC(C)O1	C108327
PUBCHEM_610	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_610	O=C1OCC(CC)O1	C4437858
PUBCHEM_610	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_610	CCOC(OCC)OCC	C122510
PUBCHEM_610	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_610	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_610	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_610	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_610	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_610	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_610	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_610	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_610	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_610	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_610	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_610	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_610	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_610	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_610	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_610	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_610	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_610	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_610	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_610	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_610	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_610	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_610	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_610	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_610	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_610	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_610	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_610	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_610	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_610	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_610	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_610	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_610	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_610	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_610	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_610	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_610	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_610	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_610	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_610	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_611	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_611	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_611	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_611	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_611	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_611	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_611	OCCN1CCNCC1	C103764
PUBCHEM_611	NCCN1CCNCC1	C140318
PUBCHEM_611	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_611	N(CCN)CCN	C111400
PUBCHEM_611	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_611	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_611	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_611	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_611	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_611	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_611	n1c[nH]cc1	C288324
PUBCHEM_611	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_611	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_611	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_611	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_611	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_611	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_611	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_611	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_611	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_611	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_611	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_611	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_611	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_611	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_611	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_611	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_611	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_611	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_611	S=C1NCCN1	C96457
PUBCHEM_611	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	C12427382
PUBCHEM_611	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_611	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_611	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_611	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_611	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_611	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_611	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_611	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_611	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_611	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_611	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_611	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_611	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_611	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_611	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_611	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_611	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_611	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_611	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_611	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_611	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_611	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_611	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_611	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_611	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_611	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_611	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_611	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_611	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_611	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_611	S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Zn+2].[Mn+2]	C8018017
PUBCHEM_611	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_611	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_611	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_611	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_611	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_611	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_611	C1CNCCN1	C110850
PUBCHEM_611	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_611	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_611	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_611	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_611	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_611	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_611	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_611	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_611	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_611	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_611	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_611	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_611	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_611	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_611	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_611	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_611	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_611	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_611	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_611	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_611	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_611	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_611	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_611	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_611	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_611	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_611	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_611	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_611	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_611	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_611	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_611	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_611	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_611	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_611	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_611	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_611	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_611	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_611	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_611	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_611	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_611	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_611	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_611	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_611	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_611	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_611	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_611	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_611	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_611	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_611	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_611	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_611	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_611	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_611	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_611	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_611	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_611	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_611	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_611	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_611	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_611	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_611	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_611	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_611	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_611	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_611	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_611	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_611	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_611	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_611	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_611	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_611	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_611	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_611	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_611	S=C([S-])NCCNC(=S)[S-].[Zn+2]	C9006422
PUBCHEM_611	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_611	N(CCN(C)C)(C)C	C110189
PUBCHEM_611	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_611	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_611	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_611	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_611	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_611	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_611	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_611	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_611	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_611	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_611	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_611	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_611	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_611	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_611	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_611	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_611	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_611	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_611	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_611	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_611	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_611	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_612	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_612	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_612	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_612	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_612	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_612	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_612	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_612	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_612	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_612	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_612	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_612	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_612	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_612	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_612	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_612	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_612	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_612	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_612	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_612	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_612	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_612	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_612	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_612	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_612	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_612	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_612	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_612	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_612	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_612	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_612	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_612	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_612	ClC(Cl)(Cl)c1nsc(OCC)n1	C2593159
PUBCHEM_612	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_612	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_612	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_612	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_612	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_612	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_612	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_612	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_612	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_612	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_612	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_612	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_612	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_612	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_612	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_612	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_612	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_612	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_612	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_612	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_612	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_612	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_612	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_612	NC(=O)OCC	C51796
PUBCHEM_612	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_612	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_612	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_612	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_612	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_612	CCC12N(COC1)COC2	C7747355
PUBCHEM_612	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_612	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_612	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_612	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_612	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_612	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_612	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_612	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_612	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_612	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_612	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_612	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_612	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_612	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_612	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_612	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_612	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_612	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_612	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_612	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_612	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_612	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_612	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_612	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_612	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_612	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_612	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_612	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_612	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_612	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_612	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_612	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_612	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_612	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_612	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_612	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_612	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_612	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_613	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_613	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_613	CC(CNCC(C)O)O	C110974
PUBCHEM_613	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_613	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_613	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_613	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_613	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_613	c1cccc2[nH]ccc12	C120729
PUBCHEM_613	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_613	NC(=O)c1cccnc1	C98920
PUBCHEM_613	OC(=O)c1cccnc1	C59676
PUBCHEM_613	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_613	O=NN1CCCC1	C930552
PUBCHEM_613	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_613	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_613	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_613	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_613	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_613	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_613	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_613	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_613	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_613	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_613	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_613	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_613	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_613	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_613	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_613	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_613	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_613	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_613	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_613	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_613	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_613	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_613	c1ccc2ncsc2c1	C95169
PUBCHEM_613	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_613	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_613	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_613	N(CCCN)(C)C	C109557
PUBCHEM_613	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_613	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_613	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_613	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_613	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_613	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_613	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_613	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_613	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_613	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_613	N1CCCCCC1	C111499
PUBCHEM_613	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_613	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_613	O=C1NCCC1	C616455
PUBCHEM_613	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_613	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_613	O=C(N(C)C)CC(=O)C	C2044646
PUBCHEM_613	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_613	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_613	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_613	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_613	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_613	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_613	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_613	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_613	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_613	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_613	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_613	OCn1nc(C)cc1C	C85264331
PUBCHEM_613	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_613	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_613	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_613	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_613	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_613	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_613	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_613	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_613	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_613	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_613	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_613	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_613	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_613	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_613	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_613	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_613	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_613	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_613	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_613	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_613	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_613	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_613	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_613	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_613	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_613	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_613	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_613	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_613	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_613	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_613	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_613	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_613	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_613	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_613	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_613	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_613	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_613	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_613	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_613	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_613	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_613	Oc1ccccc1CN(C)C	C120650
PUBCHEM_613	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_613	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_613	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_613	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_613	NCCCN1CCOCC1	C123002
PUBCHEM_613	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_613	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_613	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_613	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_613	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_613	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_613	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_613	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_613	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_613	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_613	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_613	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_613	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_613	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_613	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_613	O=C(N)Nc1ccccc1	C64108
PUBCHEM_613	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_613	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_613	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_613	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_613	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_613	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_613	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_613	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_613	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_613	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_613	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_613	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_613	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_613	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_613	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_613	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_613	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_613	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_613	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_613	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_613	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_613	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_613	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_613	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_613	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_613	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_613	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_613	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_613	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_613	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_613	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_613	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_613	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_613	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_613	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_613	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_613	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_613	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_613	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_613	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_613	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_613	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_613	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_613	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_613	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_613	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_613	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_613	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_613	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_613	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_613	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_613	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_613	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_613	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_613	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_613	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_613	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_613	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_613	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_613	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_613	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_613	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_613	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_613	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_613	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_613	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_613	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_613	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_613	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_613	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_613	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_613	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_613	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_613	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_613	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_613	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_613	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_613	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_613	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_613	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_613	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_613	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_613	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_613	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_613	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_613	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_613	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_613	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_613	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_613	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_613	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_613	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_613	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_613	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_613	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_613	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_613	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_613	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_613	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_613	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_613	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_613	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_613	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_613	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_613	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_613	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_613	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_613	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_613	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_613	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_613	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_613	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_613	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_613	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_613	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_613	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_613	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_613	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_613	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_613	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_613	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_613	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_613	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_613	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_613	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_613	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_613	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_613	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_613	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_613	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_613	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_613	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_613	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_613	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_613	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_613	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_613	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_613	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_613	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_613	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_613	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_613	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_613	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_613	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_613	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_613	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_613	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_613	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_613	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_613	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_613	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_613	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_613	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_613	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_613	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_613	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_613	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_613	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_613	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_613	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_613	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_613	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_613	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_613	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_613	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_613	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_613	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_613	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_613	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_613	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_613	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_613	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_613	O=C1CCCCCN1	C105602
PUBCHEM_613	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_613	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_613	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_613	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_613	CN(c1ccccc1)C	C121697
PUBCHEM_613	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_613	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_613	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_613	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_613	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_613	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_613	Oc1cccc2cccnc12	C148243
PUBCHEM_613	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_613	O=C(c1ccncc1)NN	C54853
PUBCHEM_613	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_613	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_613	O=C1N(CCC1)C	C872504
PUBCHEM_613	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_613	Cc1cc2cccnc2cc1	C91623
PUBCHEM_613	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_613	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_613	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_613	O=NN(CCCC)CCCC	C924163
PUBCHEM_613	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_613	O=NN(CCC)CCC	C621647
PUBCHEM_613	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_613	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_613	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_613	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_613	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_613	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_613	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_613	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_613	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_613	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_613	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_613	O=C1N(C=C)CCC1	C88120
PUBCHEM_613	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_613	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_613	n1cccc2c1cccc2	C91225
PUBCHEM_613	CCN(CC)c1ccccc1	C91667
PUBCHEM_613	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_613	CCNc1cc(C)ccc1	C102272
PUBCHEM_613	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_613	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_613	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_613	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_613	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_613	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_613	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_613	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_613	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_613	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_613	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_613	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_613	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_613	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_613	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_613	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_613	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_613	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_613	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_613	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_613	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_613	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_613	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_613	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_613	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_613	N(c1ccccc1)CC	C103695
PUBCHEM_613	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_613	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_613	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_613	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_613	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_613	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_613	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_613	N#Cc1cnccc1	C100549
PUBCHEM_613	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_613	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_613	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_613	CCC12N(COC1)COC2	C7747355
PUBCHEM_613	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_613	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_613	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_613	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_613	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_613	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_613	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_613	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_613	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_613	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_613	CCCCCCCCN(C)C	C7378996
PUBCHEM_613	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_613	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_613	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_613	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_613	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_613	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_613	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_613	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_613	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_613	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_613	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_613	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_613	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_613	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_613	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_613	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_613	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_613	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_613	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_613	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_613	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_613	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_613	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_613	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_613	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_613	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_613	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_613	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_613	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_613	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_613	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_613	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_613	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_613	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_613	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_613	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_613	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_613	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_613	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_613	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_613	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_613	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_613	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_613	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_613	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_613	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_613	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_613	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_613	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_613	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_613	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_613	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_613	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_613	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_613	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_613	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_613	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_613	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_613	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_613	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_613	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_613	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_613	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_613	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_613	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_613	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_613	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_613	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_613	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_613	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_613	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_613	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_613	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_613	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_613	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_613	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_613	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_613	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_613	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_613	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_613	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_613	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_613	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_613	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_613	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_613	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_613	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_613	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_613	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_613	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_613	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_613	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_613	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_613	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_613	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_613	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_613	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_613	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_613	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_613	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_613	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_613	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_613	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_613	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_613	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_613	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_613	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_613	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_613	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_613	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_613	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_613	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_613	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_613	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_613	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_613	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_613	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_613	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_613	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_613	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_613	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_613	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_613	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_613	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_613	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_613	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_613	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_613	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_613	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_613	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_613	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_613	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_613	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_613	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_613	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_613	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_613	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_613	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_613	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_613	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_613	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_613	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_613	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_613	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_613	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_613	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_613	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_613	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_613	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_613	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_613	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_613	S=C(NCCCC)NCCCC	C109466
PUBCHEM_613	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_613	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_613	n1cc(C)ccc1	C108996
PUBCHEM_613	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_613	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_613	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_613	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_613	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_613	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_613	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_613	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_613	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_613	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_613	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_613	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_613	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_613	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_613	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_613	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_613	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_613	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_613	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_613	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_613	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_613	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_613	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_613	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_613	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_613	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_613	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_613	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_613	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_613	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_613	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_613	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_613	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_613	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_613	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_613	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_613	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_613	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_613	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_613	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_613	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_613	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_613	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_613	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_613	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_613	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_613	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_613	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_613	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_613	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_613	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_613	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_613	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_613	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_613	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_613	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_613	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_613	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_613	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_613	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_613	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_613	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_613	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_613	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_613	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_613	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_613	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_613	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_613	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_613	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_613	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_613	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_613	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_613	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_613	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_613	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_613	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_613	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_613	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_613	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_613	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_613	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_613	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_613	O=CN1CCCCC1	C2591868
PUBCHEM_613	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_613	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_613	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_613	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_613	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_613	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_613	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_613	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_613	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_613	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_613	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_613	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_613	Nc1cccc(C)n1	C1824813
PUBCHEM_613	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_613	CC1COc2ccccc2N1	C32329207
PUBCHEM_613	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_613	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_613	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_613	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_613	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_613	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_613	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_613	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_613	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_613	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_613	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_613	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_613	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_613	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_613	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_614	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_614	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_614	CC(=O)OCc1ccccc1	C140114
PUBCHEM_614	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_614	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_614	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_614	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_614	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_614	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_614	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_614	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_614	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_614	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_614	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_614	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_614	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_614	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_614	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_614	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_614	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_614	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_614	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_614	OCCOCCOCCOCCCC	C143226
PUBCHEM_614	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_614	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_614	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_614	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_614	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_614	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_614	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_614	CCCCCC(=O)OCC	C123660
PUBCHEM_614	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_614	O=C(OC(C)(C)C)C	C540885
PUBCHEM_614	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_614	C=CC(=O)OCCO	C818611
PUBCHEM_614	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_614	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_614	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_614	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_614	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_614	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_614	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_614	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_614	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_614	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_614	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_614	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_614	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_614	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_614	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_614	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_614	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_614	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_614	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_614	O=C(OCCCC)C=C	C141322
PUBCHEM_614	C(OCCCC)C1CO1	C2426086
PUBCHEM_614	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_614	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_614	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_614	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_614	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_614	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_614	c1c(CO)occ1	C98000
PUBCHEM_614	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_614	O(C(C)C)C(=O)C	C108214
PUBCHEM_614	C1COCCN1	C110918
PUBCHEM_614	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_614	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_614	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_614	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_614	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_614	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_614	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_614	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_614	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_614	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_614	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_614	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_614	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_614	O=C(C)OCCOCCCC	C112072
PUBCHEM_614	OCCOCCOCCOC	C112356
PUBCHEM_614	OCCOCCOCCOCCO	C112607
PUBCHEM_614	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_614	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_614	OC(C)COc1ccccc1	C770354
PUBCHEM_614	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_614	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_614	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_614	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_614	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_614	OCCOCCC	C2807309
PUBCHEM_614	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_614	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_614	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_614	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_614	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_614	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_614	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_614	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_614	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_614	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_614	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_614	OCC1OCCC1	C97994
PUBCHEM_614	CN1CCOCC1	C109024
PUBCHEM_614	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_614	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_614	OC(C)COCCC	C1569013
PUBCHEM_614	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_614	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_614	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_614	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_614	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_614	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_614	OC(OCCCC)CC	C29387868
PUBCHEM_614	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_614	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_614	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_614	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_614	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_614	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_614	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_614	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_614	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_614	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_614	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_614	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_614	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_614	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_614	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_614	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_614	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_614	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_614	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_614	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_614	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_614	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_614	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_614	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_614	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_614	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_614	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_614	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_614	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_614	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_614	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_614	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_614	O=C(CC)OCC	C105373
PUBCHEM_614	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_614	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_614	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_614	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_614	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_614	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_614	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_614	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_614	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_614	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_614	CC(O)COCC	C1569024
PUBCHEM_614	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_614	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_614	O=C1CCC(O1)CC	C695067
PUBCHEM_614	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_614	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_614	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_614	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_614	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_614	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_614	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_614	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_614	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_614	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_614	NCCCN1CCOCC1	C123002
PUBCHEM_614	O=C(CCC)OCCCCC	C540181
PUBCHEM_614	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_614	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_614	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_614	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_614	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_614	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_614	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_614	OCCOCC(CC)CCCC	C1559359
PUBCHEM_614	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_614	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_614	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_614	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_614	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_614	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_614	OC(C)C(=O)OCCCC	C138227
PUBCHEM_614	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_614	Oc1c(OCC)cccc1	C94713
PUBCHEM_614	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_614	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_614	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_614	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_614	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_614	O=C(C)OCCCCCCCC	C112141
PUBCHEM_614	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_614	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_614	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_614	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_614	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_614	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_614	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_614	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_614	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_614	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_614	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_614	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_614	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_614	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_614	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_614	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_614	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_614	OCCOCC(C)OCCO	C9003116
PUBCHEM_614	O=C1OC(CCC)CC1	C105215
PUBCHEM_614	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_614	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_614	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_614	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_614	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_614	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_614	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_614	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_614	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_614	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_614	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_614	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_614	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_614	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_614	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_614	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_614	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_614	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_614	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_614	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_614	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_614	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_614	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_614	c1ccccc1OCCO	C122996
PUBCHEM_614	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_614	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_614	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_614	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_614	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_614	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_614	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_614	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_614	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_614	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_614	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_614	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_614	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_614	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_614	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_614	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_614	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_614	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_614	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_614	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_614	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_614	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_614	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_614	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_614	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_614	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_614	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_614	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_614	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_614	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_614	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_614	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_614	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_614	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_614	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_614	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_614	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_614	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_614	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_614	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_614	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_614	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_614	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_614	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_614	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_614	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_614	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_614	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_614	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_614	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_614	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_614	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_614	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_614	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_614	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_614	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_614	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_614	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_614	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_614	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_614	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_614	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_614	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_614	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_614	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_614	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_614	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_614	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_614	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_614	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_614	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_614	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_614	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_614	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_614	c1coc2c1cccc2	C271896
PUBCHEM_614	ClCCOCCCl	C111444
PUBCHEM_614	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_614	O=C1CCCO1	C96480
PUBCHEM_614	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_614	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_614	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_614	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_614	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_614	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_614	OCCOCCO	C111466
PUBCHEM_614	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_614	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_614	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_614	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_614	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_614	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_614	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_614	O=Cc1ccco1	C98011
PUBCHEM_614	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_614	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_614	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_614	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_614	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_614	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_614	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_614	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_614	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_614	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_614	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_614	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_614	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_614	OCCOCCOCCO	C112276
PUBCHEM_614	CCCCOCCOCCO	C112345
PUBCHEM_614	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_614	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_614	CC(=O)OCCOCC	C111159
PUBCHEM_614	CCOCCOCCO	C111900
PUBCHEM_614	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_614	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_614	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_614	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_614	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_614	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_614	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_614	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_614	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_614	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_614	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_614	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_614	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_614	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_614	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_614	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_614	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_614	CCOCCO	C110805
PUBCHEM_614	CCCCOCCO	C111762
PUBCHEM_614	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_614	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_614	OCCOCCOCCOCC	C112505
PUBCHEM_614	O(CCOC)CCOC	C111966
PUBCHEM_614	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_614	O(CCOC)CCO	C111773
PUBCHEM_614	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_614	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_614	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_614	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_614	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_614	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_614	C(OCCOC)COCCOC	C112492
PUBCHEM_614	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_614	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_614	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_614	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_614	OCCOCCCCCC	C112254
PUBCHEM_614	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_614	O=C(C)OCCCCC	C628637
PUBCHEM_614	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_614	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_614	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_614	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_614	OC(OC(O)CC)CC	C25265718
PUBCHEM_614	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_614	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_614	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_614	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_614	OC(OCCCOC)CC	C34590948
PUBCHEM_614	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_614	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_614	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_614	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_614	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_614	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_614	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_614	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_614	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_614	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_614	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_614	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_614	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_614	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_614	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_614	O=C(CCC)OCC	C105544
PUBCHEM_614	O=C(OCC)CCCCCC	C106309
PUBCHEM_614	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_614	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_614	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_614	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_614	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_614	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_614	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_614	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_614	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_614	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_614	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_614	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_614	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_614	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_614	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_614	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_614	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_614	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_614	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_614	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_614	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_614	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_614	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_614	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_614	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_614	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_614	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_614	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_614	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_614	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_614	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_614	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_614	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_614	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_614	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_614	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_614	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_614	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_614	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_614	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_614	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_614	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_614	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_614	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_614	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_614	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_614	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_614	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_614	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_614	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_614	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_614	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_614	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_614	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_614	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_614	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_614	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_614	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_614	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_614	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_614	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_614	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_614	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_614	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_614	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_614	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_614	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_614	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_614	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_614	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_614	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_614	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_614	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_614	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_614	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_614	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_614	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_614	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_614	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_614	NCCOCCOCCN	C929599
PUBCHEM_614	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_614	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_614	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_614	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_614	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_614	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_614	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_614	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_614	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_614	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_614	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_614	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_614	O=C(OCC)c1ccccc1	C93890
PUBCHEM_614	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_614	CC(=O)OCC	C141786
PUBCHEM_614	CC(=O)OCCCC	C123864
PUBCHEM_614	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_614	CC1CC(=O)O1	C3068880
PUBCHEM_614	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_614	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_614	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_614	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_614	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_614	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_614	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_614	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_614	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_614	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_614	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_614	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_614	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_614	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_614	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_614	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_614	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_614	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_614	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_614	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_614	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_614	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_614	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_614	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_614	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_614	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_614	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_614	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_614	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_614	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_614	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_614	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_614	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_614	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_614	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_614	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_614	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_614	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_614	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_614	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_614	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_614	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_614	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_614	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_614	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_614	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_614	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_614	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_614	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_614	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_614	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_614	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_614	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_614	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_614	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_614	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_614	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_614	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_614	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_614	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_614	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_614	O=C(OCCCCO)C=C	C2478106
PUBCHEM_614	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_614	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_614	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_614	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_614	NCCCOCCCCCCCC	C15930662
PUBCHEM_614	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_614	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_614	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_614	CC1COc2ccccc2N1	C32329207
PUBCHEM_614	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_614	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_614	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_614	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_614	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_614	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_614	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_614	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_614	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_614	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_614	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_614	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_614	CCCCCc1ccco1	C3777693
PUBCHEM_615	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_615	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_615	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_615	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_615	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_615	C1COCCN1	C110918
PUBCHEM_615	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_615	CN1CCOCC1	C109024
PUBCHEM_615	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_615	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_615	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_615	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_615	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_615	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_615	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_615	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_615	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_615	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_615	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_615	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_615	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_615	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_615	NCCCN1CCOCC1	C123002
PUBCHEM_615	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_615	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_615	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_615	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_615	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_615	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_615	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_615	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_615	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_615	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_615	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_615	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_615	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_615	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_615	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_615	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_615	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_615	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_615	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_615	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_615	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_615	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_615	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_615	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_615	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_615	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_615	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_615	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_615	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_615	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_615	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_615	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_615	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_615	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_615	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_615	Nc1cc(ccc1OC)C	C120718
PUBCHEM_615	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_615	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_615	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_615	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_615	Nc1c(OC)cccc1	C90040
PUBCHEM_615	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_615	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_615	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_615	CCC12N(COC1)COC2	C7747355
PUBCHEM_615	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_615	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_615	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_615	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_615	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_615	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_615	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_615	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_615	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_615	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_615	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_615	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_615	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_615	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_615	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_615	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_615	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_615	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_615	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_615	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_615	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_615	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_615	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_615	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_615	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_615	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_615	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_615	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_615	NCCOCCOCCN	C929599
PUBCHEM_615	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_615	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_615	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_615	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_615	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_615	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_615	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_615	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_615	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_615	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_615	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_615	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_615	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_615	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_615	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_615	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_615	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_615	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_615	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_615	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_615	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_615	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_615	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_615	CC1COc2ccccc2N1	C32329207
PUBCHEM_615	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_615	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_615	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_615	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_615	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_615	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_616	OCn1nc(C)cc1C	C85264331
PUBCHEM_616	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_616	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_616	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_616	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_616	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_616	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_616	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_616	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_616	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_616	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_616	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_616	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_616	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_616	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_616	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_616	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_616	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_616	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_616	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_616	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_616	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_616	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_616	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_616	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_616	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_616	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_616	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_616	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_616	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_616	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_618	Nc1ccccc1.Cl	C142041
PUBCHEM_618	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_618	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_618	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_618	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_618	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_618	CC(=O)OCc1ccccc1	C140114
PUBCHEM_618	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_618	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_618	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_618	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_618	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_618	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_618	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_618	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_618	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_618	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_618	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_618	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_618	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_618	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_618	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_618	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_618	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_618	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_618	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_618	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_618	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_618	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_618	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_618	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_618	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_618	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_618	c1cccc2[nH]ccc12	C120729
PUBCHEM_618	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_618	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_618	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_618	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_618	COc1ccc(cc1)O	C150765
PUBCHEM_618	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_618	C=Cc1ccc(cc1)C	C622979
PUBCHEM_618	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_618	NC(=O)c1cccnc1	C98920
PUBCHEM_618	OC(=O)c1cccnc1	C59676
PUBCHEM_618	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_618	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_618	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_618	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_618	Nc1ccc(cc1)N	C106503
PUBCHEM_618	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_618	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_618	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_618	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_618	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_618	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_618	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_618	Nc1ccccc1C.Cl	C636215
PUBCHEM_618	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_618	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_618	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_618	O=CCc1ccccc1	C122781
PUBCHEM_618	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_618	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_618	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_618	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_618	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_618	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_618	O=Cc1ccccc1O	C90028
PUBCHEM_618	Oc1cccc2ccccc12	C90153
PUBCHEM_618	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_618	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_618	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_618	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_618	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_618	Oc1ccc(Cl)cc1	C106489
PUBCHEM_618	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_618	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_618	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_618	Oc1ccc(CC)cc1	C123079
PUBCHEM_618	COc1ccc(OC)cc1	C150787
PUBCHEM_618	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_618	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_618	Oc1ccc(CCC)cc1	C645567
PUBCHEM_618	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_618	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_618	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_618	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_618	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_618	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_618	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_618	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_618	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_618	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_618	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_618	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_618	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_618	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_618	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_618	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_618	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_618	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_618	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_618	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_618	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_618	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_618	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_618	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_618	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_618	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_618	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_618	c1(c(CC)cccc1)O	C90006
PUBCHEM_618	c1c(O)cccc1CC	C620177
PUBCHEM_618	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_618	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_618	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_618	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_618	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_618	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_618	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_618	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_618	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_618	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_618	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_618	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_618	c1cccc(OC)c1O	C90051
PUBCHEM_618	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_618	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_618	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_618	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_618	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_618	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_618	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_618	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_618	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_618	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_618	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_618	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_618	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_618	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_618	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_618	Cc1cc(O)ccc1	C108394
PUBCHEM_618	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_618	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_618	c1ccc2ncsc2c1	C95169
PUBCHEM_618	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_618	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_618	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_618	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_618	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_618	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_618	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_618	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_618	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_618	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_618	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_618	Cc1c(C)cccc1O	C526750
PUBCHEM_618	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_618	C=Cc1ccccc1C=C	C1321740
PUBCHEM_618	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_618	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_618	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_618	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_618	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_618	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_618	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_618	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_618	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_618	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_618	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_618	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_618	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_618	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_618	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_618	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_618	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_618	c12ccccc1CCCC2	C119642
PUBCHEM_618	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_618	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_618	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_618	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_618	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_618	Cc1cccc(C)c1	C108383
PUBCHEM_618	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_618	OCCc1ccccc1	C60128
PUBCHEM_618	O=C(O)c1ccccc1O	C69727
PUBCHEM_618	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_618	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_618	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_618	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_618	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_618	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_618	Sc1ccccc1	C108985
PUBCHEM_618	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_618	Oc1ccc2ccccc2c1	C135193
PUBCHEM_618	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_618	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_618	Brc1ccc(F)cc1	C460004
PUBCHEM_618	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_618	ClP(c1ccccc1)Cl	C644973
PUBCHEM_618	OC(C)COc1ccccc1	C770354
PUBCHEM_618	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_618	Nc1cccc(C)c1C	C1300738
PUBCHEM_618	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_618	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_618	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_618	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_618	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_618	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_618	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_618	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_618	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_618	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_618	Nc1c(C)cccc1CC	C24549062
PUBCHEM_618	Clc1cccc(C)c1	C25168052
PUBCHEM_618	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_618	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_618	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_618	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_618	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_618	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_618	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_618	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_618	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_618	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_618	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_618	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_618	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_618	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_618	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_618	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_618	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_618	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_618	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_618	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_618	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_618	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_618	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_618	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_618	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_618	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_618	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_618	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_618	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_618	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_618	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_618	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_618	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_618	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_618	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_618	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_618	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_618	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_618	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_618	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_618	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_618	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_618	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_618	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_618	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_618	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_618	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_618	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_618	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_618	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_618	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_618	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_618	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_618	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_618	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_618	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_618	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_618	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_618	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_618	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_618	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_618	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_618	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_618	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_618	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_618	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_618	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_618	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_618	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_618	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_618	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_618	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_618	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_618	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_618	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_618	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_618	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_618	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_618	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_618	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_618	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_618	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_618	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_618	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_618	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_618	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_618	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_618	O=C(c1ccccc1O)C	C118934
PUBCHEM_618	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_618	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_618	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_618	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_618	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_618	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_618	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_618	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_618	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_618	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_618	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_618	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_618	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_618	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_618	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_618	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_618	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_618	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_618	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_618	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_618	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_618	Oc1ccccc1CN(C)C	C120650
PUBCHEM_618	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_618	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_618	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_618	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_618	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_618	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_618	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_618	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_618	OCC=Cc1ccccc1	C104541
PUBCHEM_618	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_618	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_618	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_618	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_618	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_618	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_618	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_618	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_618	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_618	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_618	N#Cc1c(O)cccc1	C611201
PUBCHEM_618	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_618	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_618	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_618	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_618	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_618	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_618	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_618	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_618	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_618	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_618	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_618	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_618	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_618	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_618	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_618	c12ccccc1CC=C2	C95136
PUBCHEM_618	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_618	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_618	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_618	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_618	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_618	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_618	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_618	Oc1c(OCC)cccc1	C94713
PUBCHEM_618	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_618	COc1ccc(CCC)cc1	C104450
PUBCHEM_618	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_618	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_618	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_618	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_618	OC(CO)c1ccccc1	C93561
PUBCHEM_618	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_618	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_618	O=C(N)Nc1ccccc1	C64108
PUBCHEM_618	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_618	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_618	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_618	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_618	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_618	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_618	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_618	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_618	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_618	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_618	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_618	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_618	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_618	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_618	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_618	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_618	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_618	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_618	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_618	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_618	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_618	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_618	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_618	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_618	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_618	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_618	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_618	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_618	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_618	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_618	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_618	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_618	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_618	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_618	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_618	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_618	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_618	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_618	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_618	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_618	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_618	Sc1ccc(C)cc1	C106456
PUBCHEM_618	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_618	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_618	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_618	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_618	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_618	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_618	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_618	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_618	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_618	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_618	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_618	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_618	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_618	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_618	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_618	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_618	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_618	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_618	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_618	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_618	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_618	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_618	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_618	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_618	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_618	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_618	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_618	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_618	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_618	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_618	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_618	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_618	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_618	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_618	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_618	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_618	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_618	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_618	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_618	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_618	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_618	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_618	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_618	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_618	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_618	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_618	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_618	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_618	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_618	c1ccccc1OCCO	C122996
PUBCHEM_618	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_618	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_618	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_618	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_618	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_618	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_618	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_618	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_618	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_618	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_618	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_618	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_618	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_618	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_618	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_618	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_618	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_618	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_618	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_618	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_618	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_618	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_618	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_618	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_618	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_618	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_618	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_618	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_618	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_618	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_618	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_618	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_618	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_618	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_618	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_618	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_618	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_618	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_618	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_618	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_618	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_618	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_618	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_618	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_618	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_618	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_618	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_618	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_618	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_618	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_618	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_618	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_618	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_618	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_618	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_618	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_618	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_618	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_618	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_618	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_618	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_618	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_618	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_618	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_618	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_618	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_618	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_618	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_618	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_618	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_618	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_618	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_618	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_618	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_618	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_618	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_618	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_618	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_618	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_618	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_618	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_618	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_618	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_618	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_618	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_618	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_618	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_618	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_618	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_618	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_618	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_618	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_618	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_618	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_618	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_618	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_618	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_618	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_618	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_618	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_618	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_618	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_618	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_618	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_618	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_618	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_618	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_618	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_618	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_618	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_618	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_618	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_618	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_618	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_618	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_618	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_618	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_618	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_618	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_618	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_618	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_618	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_618	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_618	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_618	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_618	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_618	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_618	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_618	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_618	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_618	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_618	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_618	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_618	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_618	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_618	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_618	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_618	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_618	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_618	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_618	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_618	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_618	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_618	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_618	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_618	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_618	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_618	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_618	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_618	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_618	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_618	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_618	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_618	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_618	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_618	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_618	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_618	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_618	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_618	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_618	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_618	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_618	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_618	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_618	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_618	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_618	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_618	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_618	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_618	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_618	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_618	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_618	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_618	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_618	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_618	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_618	c1coc2c1cccc2	C271896
PUBCHEM_618	OC(=O)c1ccccc1	C65850
PUBCHEM_618	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_618	OCc1ccccc1	C100516
PUBCHEM_618	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_618	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_618	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_618	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_618	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_618	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_618	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_618	Oc1c(cccc1)O	C120809
PUBCHEM_618	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_618	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_618	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_618	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_618	O=C(c1ccccc1)CCl	C532274
PUBCHEM_618	Nc1ccc(cc1)Cl	C106478
PUBCHEM_618	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_618	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_618	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_618	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_618	Nc1cc(ccc1OC)C	C120718
PUBCHEM_618	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_618	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_618	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_618	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_618	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_618	Clc1c(cccc1)Cl	C95501
PUBCHEM_618	Clc1ccc(cc1)Cl	C106467
PUBCHEM_618	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_618	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_618	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_618	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_618	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_618	CN(c1ccccc1)C	C121697
PUBCHEM_618	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_618	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_618	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_618	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_618	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_618	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_618	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_618	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_618	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_618	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_618	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_618	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_618	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_618	Oc1ccc(cc1)O	C123319
PUBCHEM_618	Oc1cccc2cccnc12	C148243
PUBCHEM_618	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_618	O=C(c1ccncc1)NN	C54853
PUBCHEM_618	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_618	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_618	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_618	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_618	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_618	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_618	Cc1cc2cccnc2cc1	C91623
PUBCHEM_618	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_618	c1c2c(ccc1)cccc2	C91203
PUBCHEM_618	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_618	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_618	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_618	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_618	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_618	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_618	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_618	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_618	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_618	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_618	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_618	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_618	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_618	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_618	Oc1ccccc1	C108952
PUBCHEM_618	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_618	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_618	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_618	Nc1cc(ccc1)N	C108452
PUBCHEM_618	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_618	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_618	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_618	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_618	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_618	Oc1cc(ccc1)O	C108463
PUBCHEM_618	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_618	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_618	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_618	C1C(c2ccccc2)O1	C96093
PUBCHEM_618	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_618	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_618	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_618	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_618	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_618	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_618	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_618	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_618	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_618	Oc1ccccc1Cl	C95578
PUBCHEM_618	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_618	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_618	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_618	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_618	n1cccc2c1cccc2	C91225
PUBCHEM_618	CCN(CC)c1ccccc1	C91667
PUBCHEM_618	Oc1c(C)cccc1	C95487
PUBCHEM_618	c1ccccc1C(=O)C	C98862
PUBCHEM_618	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_618	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_618	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_618	CCNc1cc(C)ccc1	C102272
PUBCHEM_618	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_618	Oc1ccc(C)cc1	C106445
PUBCHEM_618	Nc1ccc(C)cc1	C106490
PUBCHEM_618	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_618	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_618	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_618	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_618	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_618	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_618	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_618	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_618	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_618	Clc1cc(Cl)ccc1	C541731
PUBCHEM_618	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_618	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_618	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_618	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_618	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_618	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_618	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_618	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_618	c1(CCCC)ccccc1	C104518
PUBCHEM_618	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_618	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_618	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_618	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_618	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_618	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_618	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_618	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_618	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_618	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_618	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_618	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_618	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_618	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_618	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_618	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_618	Nc1c(OC)cccc1	C90040
PUBCHEM_618	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_618	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_618	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_618	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_618	Cc1ccccc1Cl	C95498
PUBCHEM_618	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_618	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_618	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_618	Oc1c(cccc1C)C	C576261
PUBCHEM_618	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_618	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_618	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_618	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_618	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_618	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_618	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_618	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_618	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_618	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_618	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_618	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_618	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_618	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_618	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_618	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_618	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_618	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_618	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_618	Cc1ccc(Cl)cc1	C106434
PUBCHEM_618	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_618	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_618	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_618	Nc1cc(C)ccc1N	C496720
PUBCHEM_618	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_618	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_618	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_618	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_618	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_618	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_618	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_618	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_618	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_618	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_618	N(c1ccccc1)CC	C103695
PUBCHEM_618	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_618	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_618	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_618	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_618	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_618	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_618	Nc1c(N)cccc1	C95545
PUBCHEM_618	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_618	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_618	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_618	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_618	Nc1c(cccc1)C	C95534
PUBCHEM_618	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_618	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_618	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_618	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_618	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_618	Nc1c(cccc1C)C	C87627
PUBCHEM_618	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_618	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_618	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_618	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_618	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_618	N#Cc1cnccc1	C100549
PUBCHEM_618	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_618	Nc1cccc(C)c1	C108441
PUBCHEM_618	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_618	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_618	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_618	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_618	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_618	Nc1c(CC)cccc1CC	C579668
PUBCHEM_618	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_618	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_618	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_618	Nc1cccc(C)c1N	C2687254
PUBCHEM_618	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_618	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_618	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_618	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_618	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_618	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_618	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_618	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_618	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_618	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_618	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_618	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_618	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_618	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_618	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_618	O=Cc1ccccc1C=O	C643798
PUBCHEM_618	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_618	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_618	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_618	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_618	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_618	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_618	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_618	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_618	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_618	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_618	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_618	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_618	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_618	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_618	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_618	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_618	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_618	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_618	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_618	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_618	CCCc1ccccc1	C103651
PUBCHEM_618	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_618	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_618	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_618	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_618	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_618	CC(C)(C)c1ccccc1	C98066
PUBCHEM_618	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_618	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_618	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_618	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_618	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_618	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_618	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_618	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_618	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_618	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_618	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_618	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_618	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_618	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_618	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_618	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_618	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_618	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_618	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_618	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_618	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_618	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_618	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_618	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_618	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_618	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_618	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_618	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_618	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_618	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_618	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_618	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_618	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_618	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_618	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_618	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_618	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_618	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_618	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_618	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_618	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_618	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_618	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_618	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_618	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_618	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_618	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_618	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_618	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_618	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_618	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_618	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_618	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_618	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_618	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_618	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_618	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_618	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_618	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_618	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_618	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_618	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_618	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_618	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_618	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_618	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_618	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_618	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_618	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_618	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_618	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_618	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_618	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_618	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_618	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_618	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_618	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_618	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_618	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_618	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_618	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_618	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_618	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_618	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_618	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_618	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_618	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_618	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_618	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_618	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_618	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_618	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_618	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_618	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_618	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_618	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_618	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_618	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_618	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_618	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_618	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_618	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_618	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_618	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_618	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_618	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_618	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_618	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_618	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_618	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_618	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_618	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_618	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_618	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_618	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_618	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_618	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_618	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_618	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_618	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_618	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_618	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_618	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_618	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_618	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_618	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_618	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_618	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_618	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_618	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_618	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_618	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_618	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_618	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_618	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_618	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_618	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_618	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_618	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_618	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_618	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_618	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_618	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_618	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_618	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_618	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_618	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_618	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_618	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_618	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_618	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_618	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_618	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_618	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_618	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_618	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_618	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_618	O=C(OCC)c1ccccc1	C93890
PUBCHEM_618	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_618	NCc1cccc(CN)c1	C1477550
PUBCHEM_618	n1cc(C)ccc1	C108996
PUBCHEM_618	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_618	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_618	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_618	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_618	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_618	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_618	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_618	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_618	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_618	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_618	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_618	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_618	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_618	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_618	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_618	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_618	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_618	NNc1ccccc1.Cl	C59881
PUBCHEM_618	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_618	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_618	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_618	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_618	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_618	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_618	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_618	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_618	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_618	N#Cc1ccccc1	C100470
PUBCHEM_618	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_618	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_618	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_618	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_618	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_618	Nc1ccc(Br)cc1	C106401
PUBCHEM_618	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_618	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_618	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_618	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_618	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_618	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_618	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_618	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_618	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_618	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_618	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_618	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_618	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_618	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_618	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_618	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_618	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_618	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_618	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_618	Nc1ccc(OC)cc1	C104949
PUBCHEM_618	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_618	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_618	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_618	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_618	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_618	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_618	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_618	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_618	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_618	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_618	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_618	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_618	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_618	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_618	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_618	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_618	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_618	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_618	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_618	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_618	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_618	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_618	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_618	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_618	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_618	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_618	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_618	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_618	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_618	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_618	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_618	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_618	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_618	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_618	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_618	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_618	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_618	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_618	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_618	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_618	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_618	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_618	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_618	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_618	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_618	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_618	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_618	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_618	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_618	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_618	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_618	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_618	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_618	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_618	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_618	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_618	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_618	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_618	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_618	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_618	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_618	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_618	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_618	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_618	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_618	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_618	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_618	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_618	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_618	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_618	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_618	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_618	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_618	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_618	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_618	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_618	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_618	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_618	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_618	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_618	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_618	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_618	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_618	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_618	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_618	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_618	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_618	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_618	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_618	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_618	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_618	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_618	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_618	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_618	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_618	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_618	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_618	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_618	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_618	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_618	Cl[Hg]c1ccccc1	C100561
PUBCHEM_618	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_618	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_618	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_618	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_618	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_618	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_618	O=[As]c1ccccc1	C637036
PUBCHEM_618	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_618	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_618	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_618	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_618	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_618	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_618	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_618	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_618	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_618	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_618	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_618	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_618	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_618	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_618	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_618	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_618	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_618	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_618	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_618	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_618	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_618	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_618	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_618	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_618	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_618	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_618	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_618	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_618	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_618	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_618	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_618	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_618	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_618	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_618	Nc1cccc(C)n1	C1824813
PUBCHEM_618	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_618	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_618	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_618	CC1COc2ccccc2N1	C32329207
PUBCHEM_618	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_618	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_618	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_618	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_618	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_618	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_618	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_618	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_618	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_618	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_618	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_618	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_618	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_618	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_618	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_618	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_618	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_618	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_618	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_618	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_618	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_618	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_618	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_618	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_618	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_618	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_618	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_618	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_618	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_619	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_619	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_619	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_619	CC(=O)OCc1ccccc1	C140114
PUBCHEM_619	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_619	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_619	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_619	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_619	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_619	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_619	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_619	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_619	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_619	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_619	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_619	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_619	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_619	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_619	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_619	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_619	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_619	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_619	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_619	COc1ccc(cc1)O	C150765
PUBCHEM_619	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_619	OC(=O)c1cccnc1	C59676
PUBCHEM_619	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_619	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_619	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_619	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_619	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_619	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_619	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_619	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_619	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_619	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_619	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_619	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_619	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_619	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_619	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_619	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_619	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_619	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_619	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_619	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_619	O=Cc1ccccc1O	C90028
PUBCHEM_619	Oc1cccc2ccccc12	C90153
PUBCHEM_619	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_619	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_619	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_619	Oc1ccc(Cl)cc1	C106489
PUBCHEM_619	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_619	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_619	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_619	Oc1ccc(CC)cc1	C123079
PUBCHEM_619	COc1ccc(OC)cc1	C150787
PUBCHEM_619	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_619	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_619	Oc1ccc(CCC)cc1	C645567
PUBCHEM_619	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_619	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_619	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_619	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_619	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_619	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_619	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_619	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_619	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_619	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_619	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_619	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_619	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_619	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_619	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_619	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_619	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_619	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_619	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_619	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_619	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_619	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_619	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_619	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_619	c1(c(CC)cccc1)O	C90006
PUBCHEM_619	c1c(O)cccc1CC	C620177
PUBCHEM_619	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_619	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_619	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_619	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_619	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_619	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_619	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_619	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_619	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_619	c1cccc(OC)c1O	C90051
PUBCHEM_619	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_619	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_619	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_619	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_619	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_619	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_619	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_619	Cc1cc(O)ccc1	C108394
PUBCHEM_619	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_619	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_619	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_619	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_619	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_619	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_619	Cc1c(C)cccc1O	C526750
PUBCHEM_619	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_619	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_619	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_619	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_619	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_619	c1c(CO)occ1	C98000
PUBCHEM_619	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_619	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_619	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_619	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_619	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_619	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_619	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_619	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_619	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_619	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_619	O=C(O)c1ccccc1O	C69727
PUBCHEM_619	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_619	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_619	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_619	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_619	Oc1ccc2ccccc2c1	C135193
PUBCHEM_619	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_619	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_619	OC(C)COc1ccccc1	C770354
PUBCHEM_619	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_619	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_619	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_619	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_619	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_619	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_619	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_619	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_619	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_619	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_619	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_619	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_619	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_619	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_619	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_619	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_619	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_619	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_619	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_619	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_619	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_619	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_619	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_619	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_619	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_619	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_619	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_619	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_619	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_619	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_619	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_619	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_619	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_619	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_619	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_619	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_619	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_619	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_619	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_619	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_619	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_619	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_619	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_619	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_619	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_619	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_619	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_619	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_619	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_619	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_619	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_619	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_619	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_619	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_619	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_619	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_619	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_619	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_619	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_619	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_619	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_619	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_619	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_619	O=C(c1ccccc1O)C	C118934
PUBCHEM_619	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_619	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_619	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_619	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_619	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_619	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_619	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_619	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_619	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_619	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_619	Oc1ccccc1CN(C)C	C120650
PUBCHEM_619	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_619	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_619	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_619	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_619	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_619	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_619	OCC=Cc1ccccc1	C104541
PUBCHEM_619	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_619	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_619	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_619	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_619	N#Cc1c(O)cccc1	C611201
PUBCHEM_619	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_619	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_619	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_619	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_619	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_619	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_619	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_619	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_619	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_619	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_619	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_619	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_619	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_619	Oc1c(OCC)cccc1	C94713
PUBCHEM_619	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_619	COc1ccc(CCC)cc1	C104450
PUBCHEM_619	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_619	OC(CO)c1ccccc1	C93561
PUBCHEM_619	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_619	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_619	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_619	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_619	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_619	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_619	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_619	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_619	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_619	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_619	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_619	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_619	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_619	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_619	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_619	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_619	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_619	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_619	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_619	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_619	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_619	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_619	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_619	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_619	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_619	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_619	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_619	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_619	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_619	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_619	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_619	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_619	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_619	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_619	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_619	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_619	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_619	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_619	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_619	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_619	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_619	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_619	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_619	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_619	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_619	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_619	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_619	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_619	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_619	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_619	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_619	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_619	c1ccccc1OCCO	C122996
PUBCHEM_619	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_619	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_619	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_619	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_619	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_619	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_619	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_619	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_619	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_619	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_619	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_619	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_619	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_619	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_619	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_619	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_619	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_619	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_619	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_619	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_619	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_619	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_619	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_619	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_619	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_619	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_619	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_619	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_619	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_619	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_619	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_619	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_619	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_619	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_619	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_619	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_619	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_619	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_619	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_619	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_619	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_619	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_619	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_619	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_619	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_619	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_619	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_619	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_619	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_619	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_619	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_619	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_619	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_619	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_619	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_619	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_619	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_619	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_619	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_619	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_619	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_619	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_619	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_619	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_619	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_619	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_619	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_619	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_619	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_619	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_619	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_619	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_619	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_619	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_619	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_619	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_619	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_619	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_619	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_619	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_619	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_619	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_619	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_619	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_619	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_619	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_619	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_619	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_619	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_619	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_619	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_619	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_619	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_619	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_619	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_619	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_619	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_619	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_619	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_619	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_619	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_619	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_619	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_619	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_619	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_619	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_619	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_619	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_619	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_619	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_619	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_619	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_619	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_619	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_619	c1coc2c1cccc2	C271896
PUBCHEM_619	OC(=O)c1ccccc1	C65850
PUBCHEM_619	OCc1ccccc1	C100516
PUBCHEM_619	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_619	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_619	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_619	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_619	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_619	Oc1c(cccc1)O	C120809
PUBCHEM_619	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_619	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_619	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_619	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_619	Nc1cc(ccc1OC)C	C120718
PUBCHEM_619	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_619	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_619	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_619	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_619	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_619	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_619	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_619	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_619	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_619	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_619	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_619	O=Cc1ccco1	C98011
PUBCHEM_619	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_619	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_619	Oc1ccc(cc1)O	C123319
PUBCHEM_619	Oc1cccc2cccnc12	C148243
PUBCHEM_619	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_619	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_619	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_619	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_619	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_619	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_619	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_619	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_619	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_619	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_619	Oc1ccccc1	C108952
PUBCHEM_619	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_619	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_619	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_619	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_619	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_619	Oc1cc(ccc1)O	C108463
PUBCHEM_619	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_619	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_619	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_619	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_619	OC(=O)C=CC=CC	C110441
PUBCHEM_619	C1C(c2ccccc2)O1	C96093
PUBCHEM_619	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_619	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_619	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_619	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_619	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_619	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_619	Oc1ccccc1Cl	C95578
PUBCHEM_619	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_619	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_619	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_619	Oc1c(C)cccc1	C95487
PUBCHEM_619	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_619	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_619	Oc1ccc(C)cc1	C106445
PUBCHEM_619	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_619	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_619	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_619	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_619	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_619	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_619	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_619	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_619	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_619	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_619	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_619	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_619	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_619	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_619	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_619	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_619	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_619	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_619	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_619	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_619	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_619	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_619	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_619	Nc1c(OC)cccc1	C90040
PUBCHEM_619	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_619	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_619	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_619	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_619	Oc1c(cccc1C)C	C576261
PUBCHEM_619	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_619	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_619	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_619	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_619	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_619	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_619	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_619	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_619	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_619	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_619	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_619	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_619	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_619	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_619	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_619	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_619	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_619	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_619	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_619	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_619	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_619	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_619	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_619	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_619	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_619	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_619	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_619	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_619	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_619	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_619	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_619	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_619	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_619	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_619	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_619	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_619	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_619	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_619	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_619	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_619	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_619	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_619	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_619	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_619	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_619	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_619	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_619	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_619	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_619	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_619	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_619	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_619	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_619	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_619	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_619	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_619	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_619	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_619	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_619	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_619	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_619	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_619	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_619	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_619	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_619	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_619	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_619	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_619	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_619	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_619	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_619	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_619	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_619	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_619	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_619	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_619	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_619	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_619	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_619	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_619	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_619	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_619	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_619	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_619	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_619	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_619	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_619	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_619	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_619	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_619	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_619	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_619	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_619	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_619	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_619	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_619	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_619	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_619	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_619	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_619	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_619	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_619	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_619	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_619	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_619	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_619	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_619	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_619	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_619	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_619	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_619	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_619	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_619	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_619	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_619	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_619	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_619	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_619	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_619	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_619	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_619	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_619	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_619	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_619	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_619	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_619	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_619	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_619	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_619	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_619	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_619	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_619	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_619	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_619	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_619	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_619	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_619	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_619	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_619	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_619	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_619	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_619	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_619	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_619	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_619	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_619	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_619	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_619	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_619	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_619	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_619	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_619	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_619	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_619	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_619	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_619	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_619	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_619	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_619	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_619	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_619	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_619	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_619	O=C(OCC)c1ccccc1	C93890
PUBCHEM_619	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_619	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_619	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_619	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_619	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_619	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_619	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_619	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_619	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_619	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_619	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_619	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_619	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_619	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_619	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_619	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_619	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_619	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_619	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_619	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_619	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_619	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_619	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_619	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_619	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_619	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_619	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_619	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_619	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_619	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_619	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_619	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_619	Nc1ccc(OC)cc1	C104949
PUBCHEM_619	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_619	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_619	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_619	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_619	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_619	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_619	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_619	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_619	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_619	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_619	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_619	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_619	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_619	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_619	OCC=C(C)C	C556821
PUBCHEM_619	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_619	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_619	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_619	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_619	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_619	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_619	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_619	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_619	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_619	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_619	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_619	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_619	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_619	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_619	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_619	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_619	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_619	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_619	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_619	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_619	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_619	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_619	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_619	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_619	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_619	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_619	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_619	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_619	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_619	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_619	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_619	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_619	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_619	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_619	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_619	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_619	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_619	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_619	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_619	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_619	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_619	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_619	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_619	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_619	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_619	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_619	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_619	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_619	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_619	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_619	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_619	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_619	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_619	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_619	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_619	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_619	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_619	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_619	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_619	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_619	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_619	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_619	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_619	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_619	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_619	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_619	CC1COc2ccccc2N1	C32329207
PUBCHEM_619	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_619	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_619	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_619	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_619	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_619	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_619	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_619	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_619	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_619	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_619	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_619	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_619	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_619	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_619	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_619	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_619	CCCCCc1ccco1	C3777693
PUBCHEM_620	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_620	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_620	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_620	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_620	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_620	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_620	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_620	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_620	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_620	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_620	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_620	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_620	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_620	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_620	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_620	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_620	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_620	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_620	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_620	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_620	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_620	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_620	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_620	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_620	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_620	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_620	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_620	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_620	c1c(CO)occ1	C98000
PUBCHEM_620	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_620	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_620	OC(C)COc1ccccc1	C770354
PUBCHEM_620	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_620	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_620	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_620	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_620	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_620	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_620	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_620	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_620	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_620	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_620	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_620	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_620	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_620	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_620	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_620	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_620	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_620	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_620	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_620	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_620	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_620	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_620	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_620	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_620	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_620	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_620	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_620	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_620	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_620	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_620	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_620	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_620	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_620	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_620	Oc1c(OCC)cccc1	C94713
PUBCHEM_620	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_620	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_620	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_620	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_620	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_620	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_620	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_620	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_620	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_620	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_620	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_620	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_620	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_620	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_620	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_620	c1ccccc1OCCO	C122996
PUBCHEM_620	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_620	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_620	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_620	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_620	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_620	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_620	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_620	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_620	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_620	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_620	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_620	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_620	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_620	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_620	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_620	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_620	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_620	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_620	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_620	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_620	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_620	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_620	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_620	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_620	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_620	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_620	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_620	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_620	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_620	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_620	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_620	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_620	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_620	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_620	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_620	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_620	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_620	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_620	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_620	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_620	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_620	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_620	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_620	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_620	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_620	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_620	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_620	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_620	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_620	c1coc2c1cccc2	C271896
PUBCHEM_620	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_620	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_620	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_620	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_620	O=Cc1ccco1	C98011
PUBCHEM_620	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_620	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_620	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_620	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_620	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_620	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_620	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_620	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_620	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_620	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_620	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_620	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_620	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_620	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_620	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_620	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_620	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_620	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_620	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_620	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_620	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_620	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_620	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_620	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_620	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_620	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_620	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_620	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_620	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_620	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_620	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_620	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_620	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_620	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_620	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_620	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_620	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_620	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_620	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_620	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_620	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_620	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_620	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_620	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_620	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_620	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_620	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_620	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_620	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_620	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_620	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_620	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_620	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_620	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_620	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_620	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_620	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_620	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_620	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_620	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_620	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_620	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_620	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_620	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_620	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_620	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_620	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_620	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_620	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_620	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_620	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_620	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_620	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_620	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_620	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_620	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_620	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_620	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_620	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_620	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_620	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_620	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_620	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_620	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_620	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_620	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_620	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_620	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_620	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_620	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_620	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_620	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_620	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_620	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_620	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_620	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_620	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_620	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_620	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_620	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_620	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_620	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_620	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_620	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_620	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_620	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_620	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_620	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_620	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_620	CC1COc2ccccc2N1	C32329207
PUBCHEM_620	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_620	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_620	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_620	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_620	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_620	CCCCCc1ccco1	C3777693
PUBCHEM_621	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_621	OCn1nc(C)cc1C	C85264331
PUBCHEM_621	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_621	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_621	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_621	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_621	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_621	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_621	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_621	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_621	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_621	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_621	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_621	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_621	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_621	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_621	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_621	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_621	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_621	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_621	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_621	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_621	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_621	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_621	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_621	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_621	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_621	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_621	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_621	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_621	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_621	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_621	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_621	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_621	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_621	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_621	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_621	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_621	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_621	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_621	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_621	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_621	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_621	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_621	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_621	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_621	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_621	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_621	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_621	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_621	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_621	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_621	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_621	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_621	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_621	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_621	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_621	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_621	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_621	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_621	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_621	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_621	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_621	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_621	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_621	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_621	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_621	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_621	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_621	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_621	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_621	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_621	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_621	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_621	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_621	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_621	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_621	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_621	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_621	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_621	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_621	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_621	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_621	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_621	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_621	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_621	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_621	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_621	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_621	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_621	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_621	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_621	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_621	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_621	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_622	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_622	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_622	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_622	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_622	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_622	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_622	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_622	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_622	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_622	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_622	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_622	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_622	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_622	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_622	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_622	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_622	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_622	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_622	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_622	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_622	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_622	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_622	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_622	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_622	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_622	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_622	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_622	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_622	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_622	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_622	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_622	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_622	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_622	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_622	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_622	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_622	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_622	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_622	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_622	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_622	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_622	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_622	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_623	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_623	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_623	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_623	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_623	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_623	NC(=O)c1cccnc1	C98920
PUBCHEM_623	OC(=O)c1cccnc1	C59676
PUBCHEM_623	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_623	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_623	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_623	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_623	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_623	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_623	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_623	O=Cc1ccccc1O	C90028
PUBCHEM_623	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_623	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_623	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_623	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_623	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_623	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_623	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_623	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_623	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_623	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_623	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_623	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_623	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_623	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_623	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_623	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_623	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_623	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_623	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_623	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_623	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_623	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_623	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_623	c1c(CO)occ1	C98000
PUBCHEM_623	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_623	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_623	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_623	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_623	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_623	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_623	O=C(O)c1ccccc1O	C69727
PUBCHEM_623	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_623	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_623	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_623	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_623	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_623	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_623	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_623	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_623	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_623	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_623	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_623	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_623	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_623	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_623	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_623	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_623	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_623	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_623	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_623	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_623	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_623	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_623	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_623	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_623	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_623	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_623	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_623	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_623	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_623	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_623	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_623	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_623	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_623	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_623	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_623	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_623	O=C(c1ccccc1O)C	C118934
PUBCHEM_623	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_623	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_623	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_623	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_623	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_623	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_623	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_623	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_623	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_623	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_623	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_623	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_623	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_623	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_623	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_623	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_623	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_623	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_623	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_623	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_623	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_623	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_623	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_623	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_623	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_623	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_623	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_623	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_623	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_623	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_623	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_623	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_623	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_623	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_623	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_623	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_623	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_623	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_623	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_623	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_623	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_623	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_623	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_623	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_623	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_623	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_623	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_623	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_623	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_623	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_623	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_623	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_623	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_623	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_623	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_623	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_623	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_623	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_623	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_623	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_623	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_623	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_623	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_623	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_623	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_623	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_623	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_623	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_623	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_623	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_623	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_623	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_623	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_623	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_623	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_623	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_623	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_623	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_623	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_623	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_623	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_623	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_623	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_623	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_623	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_623	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_623	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_623	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_623	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_623	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_623	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_623	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_623	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_623	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_623	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_623	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_623	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_623	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_623	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_623	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_623	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_623	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_623	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_623	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_623	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_623	c1coc2c1cccc2	C271896
PUBCHEM_623	OC(=O)c1ccccc1	C65850
PUBCHEM_623	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_623	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_623	O=C(c1ccccc1)CCl	C532274
PUBCHEM_623	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_623	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_623	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_623	O=Cc1ccco1	C98011
PUBCHEM_623	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_623	O=C(c1ccncc1)NN	C54853
PUBCHEM_623	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_623	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_623	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_623	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_623	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_623	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_623	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_623	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_623	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_623	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_623	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_623	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_623	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_623	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_623	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_623	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_623	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_623	c1ccccc1C(=O)C	C98862
PUBCHEM_623	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_623	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_623	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_623	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_623	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_623	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_623	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_623	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_623	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_623	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_623	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_623	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_623	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_623	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_623	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_623	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_623	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_623	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_623	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_623	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_623	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_623	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_623	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_623	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_623	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_623	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_623	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_623	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_623	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_623	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_623	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_623	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_623	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_623	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_623	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_623	O=Cc1ccccc1C=O	C643798
PUBCHEM_623	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_623	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_623	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_623	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_623	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_623	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_623	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_623	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_623	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_623	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_623	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_623	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_623	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_623	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_623	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_623	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_623	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_623	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_623	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_623	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_623	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_623	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_623	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_623	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_623	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_623	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_623	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_623	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_623	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_623	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_623	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_623	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_623	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_623	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_623	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_623	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_623	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_623	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_623	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_623	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_623	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_623	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_623	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_623	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_623	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_623	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_623	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_623	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_623	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_623	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_623	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_623	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_623	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_623	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_623	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_623	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_623	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_623	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_623	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_623	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_623	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_623	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_623	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_623	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_623	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_623	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_623	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_623	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_623	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_623	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_623	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_623	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_623	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_623	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_623	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_623	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_623	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_623	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_623	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_623	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_623	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_623	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_623	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_623	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_623	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_623	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_623	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_623	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_623	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_623	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_623	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_623	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_623	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_623	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_623	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_623	O=C(OCC)c1ccccc1	C93890
PUBCHEM_623	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_623	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_623	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_623	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_623	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_623	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_623	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_623	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_623	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_623	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_623	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_623	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_623	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_623	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_623	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_623	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_623	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_623	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_623	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_623	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_623	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_623	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_623	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_623	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_623	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_623	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_623	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_623	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_623	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_623	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_623	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_623	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_623	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_623	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_623	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_623	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_623	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_623	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_623	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_623	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_623	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_623	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_623	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_623	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_623	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_623	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_623	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_623	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_623	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_623	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_623	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_623	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_623	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_623	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_623	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_623	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_623	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_623	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_623	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_623	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_623	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_623	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_623	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_623	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_623	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_623	CCCCCc1ccco1	C3777693
PUBCHEM_623	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_624	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_624	NC(=O)c1cccnc1	C98920
PUBCHEM_624	OC(=O)c1cccnc1	C59676
PUBCHEM_624	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_624	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_624	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_624	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_624	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_624	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_624	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_624	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_624	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_624	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_624	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_624	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_624	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_624	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_624	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_624	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_624	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_624	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_624	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_624	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_624	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_624	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_624	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_624	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_624	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_624	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_624	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_624	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_624	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_624	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_624	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_624	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_624	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_624	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_624	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_624	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_624	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_624	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_624	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_624	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_624	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_624	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_624	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_624	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_624	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_624	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_624	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_624	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_624	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_624	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_624	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_624	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_624	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_624	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_624	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_624	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_624	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_624	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_624	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_624	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_624	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_624	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_624	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_624	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_624	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_624	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_624	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_624	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_624	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_624	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_624	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_624	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_624	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_624	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_624	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_624	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_624	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_624	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_624	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_624	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_624	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_624	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_625	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_625	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_625	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_625	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_625	O=Cc1ccccc1O	C90028
PUBCHEM_625	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_625	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_625	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_625	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_625	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_625	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_625	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_625	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_625	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_625	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_625	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_625	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_625	O=C(O)c1ccccc1O	C69727
PUBCHEM_625	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_625	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_625	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_625	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_625	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_625	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_625	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_625	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_625	O=C(c1ccccc1O)C	C118934
PUBCHEM_625	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_625	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_625	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_625	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_625	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_625	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_625	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_625	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_625	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_625	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_625	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_625	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_625	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_625	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_625	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_625	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_625	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_625	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_625	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_625	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_625	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_625	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_625	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_625	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_625	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_625	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_625	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_625	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_625	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_625	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_625	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_625	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_625	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_625	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_625	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_625	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_625	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_625	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_625	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_625	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_625	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_625	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_625	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_625	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_625	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_625	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_625	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_625	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_625	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_625	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_625	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_625	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_625	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_625	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_625	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_625	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_625	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_626	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_626	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_626	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_626	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_626	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_626	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_626	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_626	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_626	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_626	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_626	COc1ccc(cc1)O	C150765
PUBCHEM_626	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_626	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_626	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_626	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_626	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_626	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_626	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_626	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_626	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_626	COc1ccc(OC)cc1	C150787
PUBCHEM_626	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_626	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_626	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_626	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_626	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_626	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_626	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_626	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_626	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_626	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_626	c1cccc(OC)c1O	C90051
PUBCHEM_626	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_626	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_626	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_626	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_626	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_626	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_626	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_626	c1c(CO)occ1	C98000
PUBCHEM_626	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_626	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_626	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_626	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_626	OC(C)COc1ccccc1	C770354
PUBCHEM_626	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_626	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_626	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_626	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_626	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_626	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_626	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_626	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_626	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_626	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_626	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_626	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_626	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_626	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_626	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_626	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_626	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_626	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_626	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_626	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_626	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_626	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_626	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_626	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_626	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_626	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_626	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_626	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_626	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_626	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_626	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_626	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_626	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_626	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_626	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_626	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_626	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_626	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_626	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_626	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_626	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_626	Oc1c(OCC)cccc1	C94713
PUBCHEM_626	COc1ccc(CCC)cc1	C104450
PUBCHEM_626	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_626	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_626	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_626	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_626	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_626	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_626	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_626	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_626	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_626	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_626	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_626	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_626	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_626	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_626	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_626	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_626	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_626	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_626	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_626	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_626	c1ccccc1OCCO	C122996
PUBCHEM_626	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_626	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_626	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_626	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_626	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_626	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_626	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_626	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_626	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_626	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_626	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_626	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_626	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_626	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_626	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_626	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_626	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_626	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_626	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_626	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_626	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_626	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_626	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_626	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_626	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_626	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_626	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_626	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_626	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_626	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_626	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_626	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_626	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_626	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_626	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_626	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_626	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_626	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_626	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_626	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_626	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_626	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_626	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_626	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_626	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_626	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_626	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_626	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_626	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_626	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_626	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_626	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_626	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_626	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_626	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_626	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_626	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_626	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_626	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_626	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_626	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_626	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_626	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_626	c1coc2c1cccc2	C271896
PUBCHEM_626	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_626	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_626	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_626	Nc1cc(ccc1OC)C	C120718
PUBCHEM_626	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_626	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_626	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_626	O=Cc1ccco1	C98011
PUBCHEM_626	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_626	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_626	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_626	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_626	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_626	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_626	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_626	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_626	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_626	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_626	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_626	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_626	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_626	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_626	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_626	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_626	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_626	Nc1c(OC)cccc1	C90040
PUBCHEM_626	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_626	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_626	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_626	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_626	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_626	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_626	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_626	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_626	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_626	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_626	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_626	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_626	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_626	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_626	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_626	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_626	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_626	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_626	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_626	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_626	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_626	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_626	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_626	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_626	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_626	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_626	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_626	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_626	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_626	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_626	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_626	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_626	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_626	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_626	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_626	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_626	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_626	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_626	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_626	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_626	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_626	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_626	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_626	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_626	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_626	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_626	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_626	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_626	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_626	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_626	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_626	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_626	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_626	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_626	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_626	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_626	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_626	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_626	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_626	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_626	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_626	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_626	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_626	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_626	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_626	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_626	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_626	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_626	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_626	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_626	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_626	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_626	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_626	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_626	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_626	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_626	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_626	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_626	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_626	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_626	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_626	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_626	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_626	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_626	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_626	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_626	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_626	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_626	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_626	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_626	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_626	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_626	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_626	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_626	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_626	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_626	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_626	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_626	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_626	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_626	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_626	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_626	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_626	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_626	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_626	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_626	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_626	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_626	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_626	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_626	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_626	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_626	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_626	Nc1ccc(OC)cc1	C104949
PUBCHEM_626	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_626	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_626	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_626	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_626	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_626	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_626	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_626	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_626	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_626	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_626	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_626	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_626	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_626	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_626	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_626	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_626	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_626	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_626	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_626	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_626	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_626	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_626	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_626	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_626	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_626	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_626	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_626	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_626	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_626	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_626	CC1COc2ccccc2N1	C32329207
PUBCHEM_626	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_626	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_626	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_626	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_626	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_626	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_626	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_626	CCCCCc1ccco1	C3777693
PUBCHEM_627	O=[As]c1ccccc1	C637036
PUBCHEM_628	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_628	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_628	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_628	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_628	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_628	c1cccc2[nH]ccc12	C120729
PUBCHEM_628	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_628	NC(=O)c1cccnc1	C98920
PUBCHEM_628	OC(=O)c1cccnc1	C59676
PUBCHEM_628	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_628	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_628	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_628	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_628	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_628	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_628	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_628	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_628	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_628	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_628	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_628	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_628	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_628	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_628	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_628	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_628	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_628	c1ccc2ncsc2c1	C95169
PUBCHEM_628	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_628	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_628	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_628	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_628	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_628	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_628	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_628	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_628	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_628	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_628	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_628	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_628	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_628	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_628	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_628	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_628	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_628	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_628	OCn1nc(C)cc1C	C85264331
PUBCHEM_628	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_628	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_628	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_628	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_628	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_628	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_628	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_628	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_628	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_628	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_628	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_628	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_628	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_628	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_628	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_628	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_628	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_628	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_628	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_628	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_628	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_628	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_628	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_628	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_628	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_628	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_628	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_628	Oc1ccccc1CN(C)C	C120650
PUBCHEM_628	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_628	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_628	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_628	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_628	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_628	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_628	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_628	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_628	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_628	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_628	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_628	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_628	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_628	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_628	O=C(N)Nc1ccccc1	C64108
PUBCHEM_628	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_628	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_628	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_628	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_628	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_628	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_628	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_628	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_628	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_628	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_628	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_628	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_628	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_628	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_628	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_628	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_628	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_628	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_628	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_628	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_628	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_628	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_628	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_628	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_628	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_628	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_628	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_628	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_628	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_628	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_628	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_628	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_628	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_628	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_628	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_628	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_628	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_628	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_628	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_628	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_628	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_628	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_628	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_628	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_628	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_628	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_628	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_628	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_628	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_628	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_628	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_628	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_628	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_628	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_628	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_628	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_628	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_628	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_628	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_628	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_628	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_628	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_628	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_628	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_628	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_628	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_628	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_628	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_628	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_628	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_628	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_628	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_628	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_628	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_628	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_628	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_628	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_628	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_628	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_628	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_628	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_628	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_628	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_628	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_628	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_628	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_628	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_628	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_628	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_628	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_628	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_628	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_628	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_628	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_628	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_628	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_628	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_628	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_628	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_628	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_628	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_628	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_628	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_628	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_628	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_628	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_628	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_628	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_628	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_628	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_628	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_628	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_628	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_628	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_628	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_628	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_628	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_628	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_628	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_628	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_628	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_628	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_628	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_628	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_628	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_628	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_628	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_628	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_628	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_628	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_628	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_628	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_628	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_628	CN(c1ccccc1)C	C121697
PUBCHEM_628	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_628	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_628	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_628	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_628	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_628	Oc1cccc2cccnc12	C148243
PUBCHEM_628	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_628	O=C(c1ccncc1)NN	C54853
PUBCHEM_628	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_628	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_628	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_628	Cc1cc2cccnc2cc1	C91623
PUBCHEM_628	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_628	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_628	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_628	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_628	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_628	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_628	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_628	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_628	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_628	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_628	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_628	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_628	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_628	n1cccc2c1cccc2	C91225
PUBCHEM_628	CCN(CC)c1ccccc1	C91667
PUBCHEM_628	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_628	CCNc1cc(C)ccc1	C102272
PUBCHEM_628	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_628	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_628	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_628	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_628	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_628	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_628	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_628	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_628	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_628	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_628	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_628	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_628	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_628	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_628	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_628	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_628	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_628	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_628	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_628	N(c1ccccc1)CC	C103695
PUBCHEM_628	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_628	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_628	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_628	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_628	N#Cc1cnccc1	C100549
PUBCHEM_628	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_628	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_628	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_628	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_628	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_628	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_628	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_628	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_628	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_628	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_628	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_628	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_628	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_628	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_628	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_628	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_628	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_628	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_628	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_628	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_628	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_628	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_628	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_628	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_628	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_628	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_628	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_628	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_628	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_628	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_628	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_628	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_628	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_628	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_628	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_628	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_628	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_628	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_628	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_628	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_628	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_628	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_628	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_628	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_628	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_628	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_628	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_628	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_628	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_628	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_628	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_628	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_628	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_628	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_628	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_628	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_628	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_628	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_628	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_628	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_628	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_628	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_628	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_628	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_628	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_628	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_628	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_628	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_628	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_628	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_628	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_628	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_628	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_628	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_628	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_628	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_628	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_628	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_628	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_628	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_628	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_628	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_628	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_628	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_628	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_628	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_628	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_628	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_628	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_628	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_628	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_628	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_628	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_628	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_628	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_628	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_628	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_628	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_628	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_628	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_628	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_628	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_628	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_628	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_628	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_628	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_628	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_628	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_628	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_628	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_628	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_628	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_628	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_628	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_628	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_628	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_628	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_628	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_628	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_628	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_628	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_628	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_628	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_628	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_628	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_628	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_628	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_628	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_628	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_628	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_628	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_628	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_628	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_628	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_628	n1cc(C)ccc1	C108996
PUBCHEM_628	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_628	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_628	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_628	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_628	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_628	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_628	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_628	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_628	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_628	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_628	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_628	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_628	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_628	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_628	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_628	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_628	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_628	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_628	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_628	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_628	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_628	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_628	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_628	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_628	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_628	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_628	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_628	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_628	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_628	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_628	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_628	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_628	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_628	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_628	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_628	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_628	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_628	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_628	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_628	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_628	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_628	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_628	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_628	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_628	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_628	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_628	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_628	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_628	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_628	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_628	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_628	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_628	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_628	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_628	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_628	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_628	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_628	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_628	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_628	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_628	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_628	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_628	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_628	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_628	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_628	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_628	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_628	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_628	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_628	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_628	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_628	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_628	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_628	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_628	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_628	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_628	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_628	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_628	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_628	Nc1cccc(C)n1	C1824813
PUBCHEM_628	CC1COc2ccccc2N1	C32329207
PUBCHEM_628	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_628	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_628	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_628	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_628	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_628	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_628	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_628	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_628	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_629	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_629	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_629	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_629	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_629	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_629	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_629	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_629	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_629	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_629	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_629	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_629	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_629	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_629	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_629	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_629	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_629	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_629	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_629	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_629	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_629	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_629	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_629	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_629	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_629	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_629	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_629	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_630	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_630	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_630	c1cccc(OC)c1O	C90051
PUBCHEM_630	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_630	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_630	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_630	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_630	Oc1c(OCC)cccc1	C94713
PUBCHEM_630	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_630	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_630	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_630	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_630	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_630	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_630	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_630	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_630	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_630	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_630	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_630	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_630	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_630	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_630	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_630	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_630	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_630	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_630	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_630	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_630	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_630	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_630	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_630	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_630	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_630	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_630	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_630	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_630	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_630	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_630	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_630	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_632	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_632	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_632	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_632	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_632	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_632	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_632	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_632	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_632	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_632	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_632	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_632	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_632	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_632	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_632	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_632	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_632	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_632	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_632	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_632	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_632	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_632	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_632	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_632	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_632	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_632	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_632	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_632	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_632	c1c(CO)occ1	C98000
PUBCHEM_632	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_632	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_632	OC(C)COc1ccccc1	C770354
PUBCHEM_632	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_632	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_632	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_632	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_632	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_632	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_632	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_632	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_632	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_632	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_632	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_632	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_632	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_632	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_632	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_632	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_632	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_632	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_632	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_632	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_632	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_632	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_632	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_632	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_632	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_632	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_632	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_632	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_632	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_632	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_632	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_632	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_632	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_632	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_632	Oc1c(OCC)cccc1	C94713
PUBCHEM_632	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_632	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_632	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_632	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_632	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_632	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_632	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_632	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_632	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_632	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_632	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_632	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_632	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_632	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_632	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_632	c1ccccc1OCCO	C122996
PUBCHEM_632	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_632	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_632	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_632	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_632	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_632	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_632	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_632	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_632	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_632	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_632	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_632	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_632	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_632	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_632	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_632	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_632	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_632	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_632	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_632	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_632	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_632	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_632	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_632	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_632	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_632	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_632	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_632	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_632	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_632	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_632	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_632	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_632	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_632	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_632	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_632	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_632	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_632	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_632	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_632	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_632	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_632	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_632	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_632	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_632	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_632	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_632	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_632	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_632	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_632	c1coc2c1cccc2	C271896
PUBCHEM_632	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_632	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_632	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_632	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_632	O=Cc1ccco1	C98011
PUBCHEM_632	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_632	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_632	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_632	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_632	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_632	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_632	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_632	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_632	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_632	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_632	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_632	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_632	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_632	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_632	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_632	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_632	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_632	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_632	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_632	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_632	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_632	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_632	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_632	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_632	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_632	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_632	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_632	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_632	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_632	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_632	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_632	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_632	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_632	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_632	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_632	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_632	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_632	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_632	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_632	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_632	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_632	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_632	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_632	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_632	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_632	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_632	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_632	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_632	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_632	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_632	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_632	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_632	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_632	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_632	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_632	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_632	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_632	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_632	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_632	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_632	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_632	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_632	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_632	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_632	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_632	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_632	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_632	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_632	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_632	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_632	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_632	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_632	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_632	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_632	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_632	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_632	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_632	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_632	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_632	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_632	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_632	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_632	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_632	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_632	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_632	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_632	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_632	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_632	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_632	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_632	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_632	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_632	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_632	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_632	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_632	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_632	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_632	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_632	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_632	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_632	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_632	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_632	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_632	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_632	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_632	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_632	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_632	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_632	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_632	CC1COc2ccccc2N1	C32329207
PUBCHEM_632	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_632	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_632	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_632	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_632	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_632	CCCCCc1ccco1	C3777693
PUBCHEM_633	Nc1ccccc1.Cl	C142041
PUBCHEM_633	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_633	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_633	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_633	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_633	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_633	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_633	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_633	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_633	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_633	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_633	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_633	c1cccc2[nH]ccc12	C120729
PUBCHEM_633	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_633	NC(=O)c1cccnc1	C98920
PUBCHEM_633	OC(=O)c1cccnc1	C59676
PUBCHEM_633	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_633	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_633	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_633	Nc1ccc(cc1)N	C106503
PUBCHEM_633	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_633	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_633	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_633	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_633	Nc1ccccc1C.Cl	C636215
PUBCHEM_633	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_633	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_633	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_633	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_633	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_633	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_633	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_633	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_633	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_633	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_633	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_633	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_633	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_633	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_633	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_633	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_633	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_633	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_633	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_633	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_633	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_633	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_633	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_633	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_633	c1ccc2ncsc2c1	C95169
PUBCHEM_633	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_633	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_633	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_633	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_633	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_633	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_633	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_633	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_633	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_633	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_633	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_633	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_633	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_633	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_633	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_633	Nc1cccc(C)c1C	C1300738
PUBCHEM_633	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_633	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_633	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_633	Nc1c(C)cccc1CC	C24549062
PUBCHEM_633	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_633	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_633	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_633	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_633	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_633	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_633	OCn1nc(C)cc1C	C85264331
PUBCHEM_633	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_633	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_633	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_633	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_633	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_633	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_633	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_633	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_633	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_633	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_633	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_633	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_633	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_633	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_633	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_633	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_633	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_633	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_633	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_633	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_633	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_633	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_633	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_633	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_633	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_633	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_633	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_633	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_633	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_633	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_633	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_633	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_633	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_633	Oc1ccccc1CN(C)C	C120650
PUBCHEM_633	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_633	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_633	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_633	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_633	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_633	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_633	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_633	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_633	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_633	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_633	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_633	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_633	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_633	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_633	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_633	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_633	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_633	O=C(N)Nc1ccccc1	C64108
PUBCHEM_633	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_633	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_633	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_633	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_633	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_633	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_633	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_633	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_633	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_633	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_633	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_633	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_633	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_633	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_633	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_633	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_633	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_633	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_633	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_633	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_633	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_633	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_633	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_633	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_633	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_633	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_633	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_633	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_633	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_633	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_633	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_633	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_633	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_633	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_633	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_633	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_633	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_633	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_633	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_633	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_633	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_633	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_633	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_633	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_633	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_633	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_633	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_633	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_633	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_633	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_633	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_633	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_633	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_633	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_633	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_633	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_633	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_633	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_633	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_633	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_633	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_633	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_633	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_633	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_633	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_633	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_633	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_633	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_633	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_633	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_633	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_633	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_633	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_633	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_633	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_633	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_633	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_633	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_633	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_633	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_633	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_633	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_633	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_633	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_633	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_633	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_633	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_633	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_633	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_633	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_633	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_633	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_633	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_633	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_633	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_633	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_633	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_633	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_633	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_633	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_633	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_633	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_633	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_633	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_633	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_633	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_633	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_633	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_633	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_633	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_633	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_633	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_633	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_633	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_633	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_633	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_633	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_633	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_633	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_633	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_633	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_633	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_633	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_633	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_633	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_633	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_633	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_633	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_633	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_633	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_633	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_633	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_633	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_633	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_633	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_633	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_633	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_633	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_633	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_633	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_633	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_633	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_633	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_633	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_633	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_633	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_633	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_633	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_633	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_633	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_633	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_633	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_633	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_633	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_633	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_633	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_633	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_633	Nc1ccc(cc1)Cl	C106478
PUBCHEM_633	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_633	Nc1cc(ccc1OC)C	C120718
PUBCHEM_633	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_633	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_633	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_633	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_633	CN(c1ccccc1)C	C121697
PUBCHEM_633	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_633	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_633	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_633	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_633	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_633	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_633	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_633	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_633	Oc1cccc2cccnc12	C148243
PUBCHEM_633	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_633	O=C(c1ccncc1)NN	C54853
PUBCHEM_633	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_633	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_633	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_633	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_633	Cc1cc2cccnc2cc1	C91623
PUBCHEM_633	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_633	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_633	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_633	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_633	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_633	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_633	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_633	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_633	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_633	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_633	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_633	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_633	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_633	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_633	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_633	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_633	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_633	Nc1cc(ccc1)N	C108452
PUBCHEM_633	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_633	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_633	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_633	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_633	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_633	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_633	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_633	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_633	n1cccc2c1cccc2	C91225
PUBCHEM_633	CCN(CC)c1ccccc1	C91667
PUBCHEM_633	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_633	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_633	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_633	CCNc1cc(C)ccc1	C102272
PUBCHEM_633	Nc1ccc(C)cc1	C106490
PUBCHEM_633	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_633	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_633	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_633	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_633	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_633	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_633	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_633	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_633	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_633	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_633	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_633	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_633	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_633	Nc1c(OC)cccc1	C90040
PUBCHEM_633	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_633	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_633	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_633	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_633	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_633	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_633	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_633	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_633	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_633	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_633	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_633	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_633	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_633	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_633	Nc1cc(C)ccc1N	C496720
PUBCHEM_633	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_633	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_633	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_633	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_633	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_633	N(c1ccccc1)CC	C103695
PUBCHEM_633	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_633	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_633	Nc1c(N)cccc1	C95545
PUBCHEM_633	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_633	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_633	Nc1c(cccc1)C	C95534
PUBCHEM_633	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_633	Nc1c(cccc1C)C	C87627
PUBCHEM_633	N#Cc1cnccc1	C100549
PUBCHEM_633	Nc1cccc(C)c1	C108441
PUBCHEM_633	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_633	Nc1c(CC)cccc1CC	C579668
PUBCHEM_633	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_633	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_633	Nc1cccc(C)c1N	C2687254
PUBCHEM_633	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_633	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_633	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_633	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_633	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_633	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_633	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_633	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_633	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_633	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_633	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_633	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_633	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_633	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_633	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_633	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_633	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_633	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_633	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_633	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_633	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_633	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_633	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_633	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_633	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_633	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_633	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_633	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_633	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_633	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_633	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_633	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_633	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_633	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_633	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_633	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_633	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_633	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_633	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_633	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_633	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_633	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_633	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_633	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_633	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_633	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_633	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_633	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_633	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_633	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_633	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_633	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_633	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_633	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_633	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_633	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_633	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_633	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_633	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_633	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_633	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_633	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_633	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_633	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_633	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_633	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_633	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_633	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_633	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_633	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_633	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_633	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_633	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_633	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_633	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_633	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_633	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_633	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_633	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_633	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_633	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_633	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_633	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_633	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_633	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_633	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_633	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_633	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_633	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_633	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_633	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_633	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_633	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_633	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_633	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_633	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_633	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_633	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_633	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_633	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_633	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_633	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_633	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_633	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_633	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_633	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_633	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_633	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_633	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_633	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_633	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_633	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_633	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_633	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_633	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_633	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_633	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_633	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_633	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_633	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_633	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_633	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_633	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_633	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_633	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_633	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_633	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_633	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_633	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_633	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_633	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_633	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_633	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_633	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_633	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_633	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_633	NCc1cccc(CN)c1	C1477550
PUBCHEM_633	n1cc(C)ccc1	C108996
PUBCHEM_633	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_633	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_633	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_633	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_633	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_633	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_633	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_633	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_633	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_633	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_633	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_633	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_633	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_633	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_633	NNc1ccccc1.Cl	C59881
PUBCHEM_633	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_633	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_633	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_633	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_633	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_633	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_633	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_633	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_633	Nc1ccc(Br)cc1	C106401
PUBCHEM_633	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_633	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_633	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_633	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_633	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_633	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_633	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_633	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_633	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_633	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_633	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_633	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_633	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_633	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_633	Nc1ccc(OC)cc1	C104949
PUBCHEM_633	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_633	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_633	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_633	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_633	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_633	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_633	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_633	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_633	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_633	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_633	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_633	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_633	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_633	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_633	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_633	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_633	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_633	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_633	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_633	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_633	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_633	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_633	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_633	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_633	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_633	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_633	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_633	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_633	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_633	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_633	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_633	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_633	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_633	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_633	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_633	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_633	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_633	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_633	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_633	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_633	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_633	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_633	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_633	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_633	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_633	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_633	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_633	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_633	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_633	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_633	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_633	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_633	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_633	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_633	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_633	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_633	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_633	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_633	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_633	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_633	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_633	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_633	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_633	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_633	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_633	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_633	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_633	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_633	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_633	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_633	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_633	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_633	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_633	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_633	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_633	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_633	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_633	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_633	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_633	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_633	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_633	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_633	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_633	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_633	Nc1cccc(C)n1	C1824813
PUBCHEM_633	CC1COc2ccccc2N1	C32329207
PUBCHEM_633	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_633	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_633	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_633	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_633	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_633	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_633	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_633	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_633	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_633	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_633	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_633	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_633	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_634	Nc1ccccc1.Cl	C142041
PUBCHEM_634	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_634	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_634	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_634	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_634	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_634	CC(=O)OCc1ccccc1	C140114
PUBCHEM_634	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_634	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_634	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_634	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_634	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_634	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_634	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_634	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_634	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_634	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_634	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_634	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_634	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_634	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_634	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_634	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_634	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_634	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_634	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_634	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_634	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_634	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_634	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_634	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_634	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_634	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_634	c1cccc2[nH]ccc12	C120729
PUBCHEM_634	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_634	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_634	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_634	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_634	COc1ccc(cc1)O	C150765
PUBCHEM_634	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_634	C=Cc1ccc(cc1)C	C622979
PUBCHEM_634	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_634	NC(=O)c1cccnc1	C98920
PUBCHEM_634	OC(=O)c1cccnc1	C59676
PUBCHEM_634	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_634	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_634	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_634	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_634	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_634	Nc1ccc(cc1)N	C106503
PUBCHEM_634	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_634	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_634	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_634	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_634	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_634	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_634	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_634	Nc1ccccc1C.Cl	C636215
PUBCHEM_634	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_634	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_634	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_634	O=CCc1ccccc1	C122781
PUBCHEM_634	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_634	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_634	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_634	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_634	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_634	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_634	O=Cc1ccccc1O	C90028
PUBCHEM_634	Oc1cccc2ccccc12	C90153
PUBCHEM_634	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_634	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_634	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_634	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_634	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_634	Oc1ccc(Cl)cc1	C106489
PUBCHEM_634	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_634	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_634	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_634	Oc1ccc(CC)cc1	C123079
PUBCHEM_634	COc1ccc(OC)cc1	C150787
PUBCHEM_634	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_634	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_634	Oc1ccc(CCC)cc1	C645567
PUBCHEM_634	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_634	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_634	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_634	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_634	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_634	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_634	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_634	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_634	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_634	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_634	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_634	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_634	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_634	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_634	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_634	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_634	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_634	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_634	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_634	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_634	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_634	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_634	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_634	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_634	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_634	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_634	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_634	c1(c(CC)cccc1)O	C90006
PUBCHEM_634	c1c(O)cccc1CC	C620177
PUBCHEM_634	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_634	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_634	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_634	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_634	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_634	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_634	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_634	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_634	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_634	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_634	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_634	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_634	c1cccc(OC)c1O	C90051
PUBCHEM_634	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_634	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_634	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_634	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_634	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_634	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_634	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_634	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_634	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_634	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_634	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_634	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_634	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_634	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_634	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_634	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_634	Cc1cc(O)ccc1	C108394
PUBCHEM_634	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_634	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_634	c1ccc2ncsc2c1	C95169
PUBCHEM_634	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_634	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_634	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_634	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_634	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_634	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_634	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_634	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_634	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_634	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_634	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_634	Cc1c(C)cccc1O	C526750
PUBCHEM_634	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_634	C=Cc1ccccc1C=C	C1321740
PUBCHEM_634	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_634	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_634	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_634	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_634	c1c(CO)occ1	C98000
PUBCHEM_634	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_634	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_634	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_634	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_634	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_634	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_634	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_634	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_634	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_634	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_634	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_634	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_634	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_634	c12ccccc1CCCC2	C119642
PUBCHEM_634	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_634	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_634	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_634	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_634	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_634	Cc1cccc(C)c1	C108383
PUBCHEM_634	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_634	OCCc1ccccc1	C60128
PUBCHEM_634	O=C(O)c1ccccc1O	C69727
PUBCHEM_634	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_634	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_634	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_634	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_634	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_634	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_634	Sc1ccccc1	C108985
PUBCHEM_634	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_634	Oc1ccc2ccccc2c1	C135193
PUBCHEM_634	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_634	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_634	Brc1ccc(F)cc1	C460004
PUBCHEM_634	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_634	ClP(c1ccccc1)Cl	C644973
PUBCHEM_634	OC(C)COc1ccccc1	C770354
PUBCHEM_634	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_634	Nc1cccc(C)c1C	C1300738
PUBCHEM_634	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_634	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_634	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_634	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_634	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_634	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_634	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_634	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_634	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_634	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_634	Nc1c(C)cccc1CC	C24549062
PUBCHEM_634	Clc1cccc(C)c1	C25168052
PUBCHEM_634	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_634	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_634	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_634	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_634	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_634	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_634	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_634	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_634	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_634	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_634	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_634	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_634	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_634	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_634	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_634	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_634	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_634	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_634	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_634	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_634	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_634	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_634	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_634	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_634	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_634	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_634	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_634	OCn1nc(C)cc1C	C85264331
PUBCHEM_634	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_634	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_634	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_634	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_634	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_634	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_634	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_634	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_634	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_634	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_634	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_634	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_634	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_634	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_634	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_634	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_634	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_634	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_634	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_634	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_634	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_634	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_634	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_634	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_634	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_634	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_634	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_634	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_634	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_634	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_634	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_634	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_634	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_634	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_634	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_634	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_634	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_634	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_634	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_634	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_634	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_634	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_634	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_634	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_634	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_634	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_634	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_634	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_634	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_634	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_634	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_634	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_634	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_634	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_634	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_634	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_634	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_634	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_634	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_634	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_634	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_634	O=C(c1ccccc1O)C	C118934
PUBCHEM_634	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_634	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_634	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_634	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_634	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_634	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_634	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_634	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_634	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_634	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_634	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_634	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_634	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_634	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_634	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_634	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_634	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_634	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_634	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_634	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_634	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_634	Oc1ccccc1CN(C)C	C120650
PUBCHEM_634	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_634	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_634	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_634	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_634	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_634	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_634	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_634	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_634	OCC=Cc1ccccc1	C104541
PUBCHEM_634	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_634	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_634	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_634	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_634	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_634	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_634	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_634	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_634	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_634	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_634	N#Cc1c(O)cccc1	C611201
PUBCHEM_634	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_634	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_634	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_634	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_634	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_634	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_634	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_634	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_634	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_634	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_634	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_634	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_634	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_634	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_634	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_634	c12ccccc1CC=C2	C95136
PUBCHEM_634	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_634	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_634	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_634	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_634	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_634	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_634	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_634	Oc1c(OCC)cccc1	C94713
PUBCHEM_634	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_634	COc1ccc(CCC)cc1	C104450
PUBCHEM_634	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_634	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_634	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_634	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_634	OC(CO)c1ccccc1	C93561
PUBCHEM_634	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_634	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_634	O=C(N)Nc1ccccc1	C64108
PUBCHEM_634	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_634	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_634	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_634	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_634	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_634	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_634	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_634	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_634	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_634	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_634	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_634	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_634	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_634	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_634	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_634	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_634	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_634	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_634	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_634	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_634	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_634	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_634	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_634	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_634	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_634	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_634	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_634	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_634	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_634	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_634	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_634	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_634	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_634	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_634	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_634	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_634	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_634	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_634	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_634	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_634	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_634	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_634	Sc1ccc(C)cc1	C106456
PUBCHEM_634	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_634	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_634	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_634	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_634	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_634	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_634	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_634	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_634	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_634	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_634	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_634	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_634	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_634	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_634	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_634	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_634	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_634	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_634	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_634	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_634	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_634	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_634	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_634	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_634	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_634	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_634	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_634	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_634	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_634	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_634	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_634	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_634	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_634	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_634	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_634	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_634	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_634	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_634	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_634	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_634	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_634	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_634	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_634	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_634	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_634	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_634	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_634	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_634	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_634	c1ccccc1OCCO	C122996
PUBCHEM_634	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_634	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_634	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_634	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_634	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_634	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_634	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_634	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_634	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_634	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_634	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_634	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_634	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_634	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_634	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_634	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_634	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_634	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_634	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_634	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_634	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_634	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_634	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_634	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_634	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_634	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_634	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_634	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_634	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_634	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_634	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_634	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_634	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_634	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_634	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_634	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_634	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_634	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_634	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_634	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_634	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_634	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_634	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_634	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_634	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_634	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_634	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_634	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_634	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_634	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_634	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_634	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_634	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_634	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_634	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_634	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_634	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_634	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_634	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_634	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_634	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_634	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_634	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_634	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_634	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_634	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_634	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_634	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_634	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_634	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_634	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_634	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_634	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_634	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_634	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_634	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_634	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_634	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_634	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_634	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_634	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_634	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_634	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_634	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_634	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_634	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_634	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_634	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_634	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_634	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_634	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_634	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_634	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_634	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_634	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_634	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_634	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_634	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_634	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_634	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_634	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_634	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_634	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_634	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_634	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_634	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_634	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_634	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_634	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_634	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_634	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_634	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_634	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_634	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_634	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_634	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_634	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_634	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_634	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_634	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_634	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_634	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_634	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_634	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_634	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_634	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_634	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_634	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_634	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_634	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_634	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_634	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_634	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_634	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_634	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_634	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_634	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_634	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_634	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_634	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_634	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_634	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_634	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_634	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_634	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_634	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_634	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_634	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_634	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_634	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_634	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_634	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_634	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_634	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_634	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_634	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_634	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_634	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_634	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_634	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_634	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_634	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_634	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_634	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_634	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_634	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_634	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_634	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_634	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_634	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_634	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_634	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_634	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_634	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_634	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_634	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_634	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_634	c1coc2c1cccc2	C271896
PUBCHEM_634	OC(=O)c1ccccc1	C65850
PUBCHEM_634	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_634	OCc1ccccc1	C100516
PUBCHEM_634	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_634	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_634	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_634	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_634	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_634	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_634	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_634	Oc1c(cccc1)O	C120809
PUBCHEM_634	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_634	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_634	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_634	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_634	O=C(c1ccccc1)CCl	C532274
PUBCHEM_634	Nc1ccc(cc1)Cl	C106478
PUBCHEM_634	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_634	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_634	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_634	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_634	Nc1cc(ccc1OC)C	C120718
PUBCHEM_634	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_634	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_634	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_634	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_634	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_634	Clc1c(cccc1)Cl	C95501
PUBCHEM_634	Clc1ccc(cc1)Cl	C106467
PUBCHEM_634	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_634	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_634	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_634	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_634	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_634	CN(c1ccccc1)C	C121697
PUBCHEM_634	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_634	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_634	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_634	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_634	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_634	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_634	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_634	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_634	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_634	O=Cc1ccco1	C98011
PUBCHEM_634	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_634	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_634	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_634	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_634	Oc1ccc(cc1)O	C123319
PUBCHEM_634	Oc1cccc2cccnc12	C148243
PUBCHEM_634	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_634	O=C(c1ccncc1)NN	C54853
PUBCHEM_634	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_634	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_634	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_634	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_634	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_634	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_634	Cc1cc2cccnc2cc1	C91623
PUBCHEM_634	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_634	c1c2c(ccc1)cccc2	C91203
PUBCHEM_634	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_634	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_634	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_634	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_634	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_634	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_634	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_634	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_634	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_634	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_634	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_634	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_634	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_634	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_634	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_634	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_634	Oc1ccccc1	C108952
PUBCHEM_634	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_634	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_634	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_634	Nc1cc(ccc1)N	C108452
PUBCHEM_634	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_634	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_634	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_634	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_634	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_634	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_634	Oc1cc(ccc1)O	C108463
PUBCHEM_634	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_634	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_634	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_634	C1C(c2ccccc2)O1	C96093
PUBCHEM_634	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_634	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_634	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_634	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_634	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_634	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_634	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_634	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_634	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_634	Oc1ccccc1Cl	C95578
PUBCHEM_634	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_634	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_634	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_634	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_634	n1cccc2c1cccc2	C91225
PUBCHEM_634	CCN(CC)c1ccccc1	C91667
PUBCHEM_634	Oc1c(C)cccc1	C95487
PUBCHEM_634	c1ccccc1C(=O)C	C98862
PUBCHEM_634	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_634	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_634	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_634	CCNc1cc(C)ccc1	C102272
PUBCHEM_634	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_634	Oc1ccc(C)cc1	C106445
PUBCHEM_634	Nc1ccc(C)cc1	C106490
PUBCHEM_634	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_634	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_634	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_634	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_634	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_634	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_634	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_634	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_634	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_634	Clc1cc(Cl)ccc1	C541731
PUBCHEM_634	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_634	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_634	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_634	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_634	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_634	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_634	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_634	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_634	c1(CCCC)ccccc1	C104518
PUBCHEM_634	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_634	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_634	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_634	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_634	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_634	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_634	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_634	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_634	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_634	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_634	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_634	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_634	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_634	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_634	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_634	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_634	Nc1c(OC)cccc1	C90040
PUBCHEM_634	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_634	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_634	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_634	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_634	Cc1ccccc1Cl	C95498
PUBCHEM_634	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_634	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_634	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_634	Oc1c(cccc1C)C	C576261
PUBCHEM_634	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_634	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_634	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_634	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_634	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_634	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_634	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_634	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_634	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_634	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_634	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_634	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_634	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_634	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_634	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_634	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_634	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_634	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_634	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_634	Cc1ccc(Cl)cc1	C106434
PUBCHEM_634	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_634	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_634	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_634	Nc1cc(C)ccc1N	C496720
PUBCHEM_634	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_634	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_634	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_634	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_634	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_634	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_634	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_634	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_634	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_634	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_634	N(c1ccccc1)CC	C103695
PUBCHEM_634	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_634	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_634	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_634	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_634	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_634	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_634	Nc1c(N)cccc1	C95545
PUBCHEM_634	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_634	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_634	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_634	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_634	Nc1c(cccc1)C	C95534
PUBCHEM_634	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_634	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_634	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_634	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_634	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_634	Nc1c(cccc1C)C	C87627
PUBCHEM_634	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_634	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_634	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_634	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_634	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_634	N#Cc1cnccc1	C100549
PUBCHEM_634	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_634	Nc1cccc(C)c1	C108441
PUBCHEM_634	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_634	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_634	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_634	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_634	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_634	Nc1c(CC)cccc1CC	C579668
PUBCHEM_634	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_634	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_634	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_634	Nc1cccc(C)c1N	C2687254
PUBCHEM_634	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_634	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_634	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_634	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_634	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_634	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_634	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_634	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_634	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_634	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_634	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_634	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_634	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_634	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_634	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_634	O=Cc1ccccc1C=O	C643798
PUBCHEM_634	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_634	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_634	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_634	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_634	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_634	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_634	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_634	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_634	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_634	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_634	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_634	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_634	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_634	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_634	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_634	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_634	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_634	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_634	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_634	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_634	CCCc1ccccc1	C103651
PUBCHEM_634	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_634	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_634	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_634	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_634	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_634	CC(C)(C)c1ccccc1	C98066
PUBCHEM_634	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_634	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_634	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_634	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_634	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_634	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_634	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_634	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_634	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_634	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_634	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_634	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_634	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_634	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_634	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_634	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_634	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_634	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_634	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_634	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_634	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_634	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_634	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_634	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_634	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_634	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_634	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_634	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_634	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_634	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_634	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_634	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_634	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_634	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_634	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_634	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_634	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_634	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_634	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_634	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_634	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_634	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_634	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_634	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_634	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_634	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_634	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_634	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_634	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_634	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_634	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_634	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_634	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_634	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_634	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_634	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_634	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_634	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_634	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_634	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_634	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_634	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_634	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_634	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_634	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_634	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_634	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_634	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_634	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_634	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_634	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_634	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_634	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_634	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_634	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_634	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_634	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_634	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_634	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_634	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_634	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_634	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_634	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_634	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_634	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_634	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_634	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_634	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_634	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_634	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_634	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_634	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_634	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_634	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_634	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_634	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_634	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_634	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_634	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_634	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_634	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_634	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_634	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_634	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_634	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_634	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_634	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_634	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_634	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_634	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_634	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_634	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_634	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_634	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_634	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_634	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_634	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_634	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_634	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_634	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_634	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_634	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_634	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_634	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_634	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_634	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_634	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_634	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_634	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_634	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_634	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_634	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_634	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_634	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_634	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_634	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_634	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_634	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_634	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_634	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_634	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_634	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_634	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_634	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_634	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_634	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_634	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_634	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_634	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_634	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_634	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_634	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_634	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_634	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_634	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_634	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_634	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_634	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_634	O=C(OCC)c1ccccc1	C93890
PUBCHEM_634	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_634	NCc1cccc(CN)c1	C1477550
PUBCHEM_634	n1cc(C)ccc1	C108996
PUBCHEM_634	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_634	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_634	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_634	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_634	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_634	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_634	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_634	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_634	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_634	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_634	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_634	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_634	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_634	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_634	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_634	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_634	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_634	NNc1ccccc1.Cl	C59881
PUBCHEM_634	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_634	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_634	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_634	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_634	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_634	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_634	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_634	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_634	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_634	N#Cc1ccccc1	C100470
PUBCHEM_634	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_634	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_634	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_634	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_634	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_634	Nc1ccc(Br)cc1	C106401
PUBCHEM_634	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_634	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_634	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_634	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_634	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_634	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_634	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_634	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_634	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_634	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_634	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_634	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_634	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_634	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_634	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_634	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_634	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_634	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_634	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_634	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_634	Nc1ccc(OC)cc1	C104949
PUBCHEM_634	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_634	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_634	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_634	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_634	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_634	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_634	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_634	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_634	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_634	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_634	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_634	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_634	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_634	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_634	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_634	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_634	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_634	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_634	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_634	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_634	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_634	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_634	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_634	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_634	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_634	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_634	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_634	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_634	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_634	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_634	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_634	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_634	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_634	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_634	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_634	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_634	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_634	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_634	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_634	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_634	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_634	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_634	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_634	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_634	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_634	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_634	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_634	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_634	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_634	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_634	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_634	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_634	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_634	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_634	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_634	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_634	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_634	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_634	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_634	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_634	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_634	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_634	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_634	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_634	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_634	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_634	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_634	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_634	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_634	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_634	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_634	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_634	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_634	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_634	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_634	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_634	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_634	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_634	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_634	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_634	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_634	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_634	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_634	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_634	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_634	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_634	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_634	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_634	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_634	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_634	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_634	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_634	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_634	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_634	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_634	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_634	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_634	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_634	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_634	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_634	Cl[Hg]c1ccccc1	C100561
PUBCHEM_634	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_634	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_634	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_634	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_634	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_634	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_634	O=[As]c1ccccc1	C637036
PUBCHEM_634	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_634	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_634	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_634	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_634	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_634	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_634	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_634	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_634	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_634	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_634	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_634	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_634	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_634	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_634	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_634	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_634	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_634	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_634	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_634	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_634	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_634	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_634	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_634	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_634	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_634	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_634	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_634	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_634	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_634	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_634	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_634	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_634	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_634	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_634	Nc1cccc(C)n1	C1824813
PUBCHEM_634	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_634	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_634	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_634	CC1COc2ccccc2N1	C32329207
PUBCHEM_634	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_634	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_634	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_634	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_634	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_634	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_634	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_634	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_634	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_634	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_634	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_634	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_634	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_634	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_634	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_634	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_634	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_634	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_634	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_634	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_634	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_634	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_634	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_634	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_634	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_634	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_634	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_634	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_634	CCCCCc1ccco1	C3777693
PUBCHEM_634	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_636	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_636	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_636	S=C(NCC)NCC	C105555
PUBCHEM_636	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_636	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_636	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_636	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_636	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_636	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_636	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_636	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_636	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_636	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_636	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_636	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_636	OCNC(=O)NCO	C140954
PUBCHEM_636	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_636	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_636	Clc1nc(Cl)nc(Cl)n1	C108770
PUBCHEM_636	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_636	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_636	n1c[nH]cc1	C288324
PUBCHEM_636	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_636	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_636	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_636	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_636	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_636	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_636	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_636	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_636	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_636	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_636	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_636	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_636	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_636	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_636	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_636	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_636	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_636	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_636	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_636	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_636	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_636	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_636	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_636	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_636	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_636	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_636	S=C(NC)NC	C534134
PUBCHEM_636	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_636	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_636	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_636	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_636	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_636	S=C1NCCN1	C96457
PUBCHEM_636	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_636	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_636	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_636	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_636	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_636	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_636	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_636	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_636	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_636	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_636	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_636	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_636	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_636	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_636	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_636	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_636	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_636	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_636	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_636	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_636	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_636	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_636	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_636	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_636	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_636	CN1CN(C)CSC1=S	C533744
PUBCHEM_636	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_636	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_636	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_636	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_636	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_636	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_636	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_636	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_636	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_636	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_636	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_636	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_636	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_636	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_636	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_636	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_636	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_636	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_636	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_636	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_636	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_636	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_636	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_636	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_636	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_636	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_636	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_636	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_636	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_636	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_636	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_636	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_636	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_636	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_636	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_636	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_636	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_636	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_636	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_636	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_636	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_636	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_636	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_636	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_636	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_636	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_636	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_636	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_636	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_636	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_636	C1N2CN3CN(C2)CN1C3	C100970
PUBCHEM_636	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_636	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_636	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_636	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_636	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_636	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_636	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_636	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_636	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_636	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_636	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_636	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_636	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_636	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_636	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_636	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_636	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_636	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_636	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_636	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_636	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_636	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_636	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_636	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_636	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_636	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_636	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_636	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_636	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_636	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_636	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_636	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_636	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_636	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_636	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_636	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_636	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_636	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_636	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_636	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_636	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_636	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_636	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_636	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_636	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_636	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_636	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_636	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_636	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_636	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_636	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_636	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_636	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_636	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_636	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_636	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_636	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_636	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_636	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_636	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_636	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_636	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_636	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_636	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_636	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_636	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_636	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_636	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_636	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_636	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_636	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_636	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_636	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_636	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_636	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_636	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_636	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_636	S=C(NCCCC)NCCCC	C109466
PUBCHEM_636	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_636	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_636	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_636	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_636	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_636	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_636	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_636	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_636	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_636	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_636	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_636	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_636	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_636	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_636	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_636	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_636	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_636	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_636	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_636	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_636	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_636	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_636	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_636	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_636	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_636	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_636	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_636	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_637	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_637	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_637	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_637	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_637	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_637	CC(=O)OCc1ccccc1	C140114
PUBCHEM_637	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_637	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_637	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_637	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_637	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_637	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_637	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_637	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_637	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_637	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_637	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_637	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_637	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_637	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_637	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_637	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_637	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_637	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_637	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_637	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_637	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_637	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_637	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_637	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_637	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_637	COc1ccc(cc1)O	C150765
PUBCHEM_637	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_637	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_637	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_637	OC(=O)c1cccnc1	C59676
PUBCHEM_637	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_637	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_637	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_637	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_637	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_637	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_637	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_637	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_637	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_637	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_637	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_637	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_637	OCCOCCOCCOCCCC	C143226
PUBCHEM_637	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_637	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_637	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_637	OC(=O)CCCC	C109524
PUBCHEM_637	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_637	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_637	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_637	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_637	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_637	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_637	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_637	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_637	O=Cc1ccccc1O	C90028
PUBCHEM_637	Oc1cccc2ccccc12	C90153
PUBCHEM_637	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_637	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_637	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_637	Oc1ccc(Cl)cc1	C106489
PUBCHEM_637	CC(O)CC(C)(C)O	C107415
PUBCHEM_637	C1CCCCC1O	C108930
PUBCHEM_637	CCCCCCO	C111273
PUBCHEM_637	CCCCCCCO	C111706
PUBCHEM_637	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_637	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_637	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_637	Oc1ccc(CC)cc1	C123079
PUBCHEM_637	CCCCCC(=O)OCC	C123660
PUBCHEM_637	CCCCCCCCCO	C143088
PUBCHEM_637	COc1ccc(OC)cc1	C150787
PUBCHEM_637	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_637	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_637	Oc1ccc(CCC)cc1	C645567
PUBCHEM_637	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_637	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_637	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_637	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_637	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_637	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_637	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_637	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_637	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_637	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_637	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_637	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_637	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_637	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_637	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_637	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_637	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_637	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_637	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_637	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_637	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_637	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_637	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_637	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_637	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_637	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_637	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_637	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_637	c1(c(CC)cccc1)O	C90006
PUBCHEM_637	c1c(O)cccc1CC	C620177
PUBCHEM_637	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_637	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_637	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_637	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_637	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_637	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_637	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_637	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_637	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_637	c1cccc(OC)c1O	C90051
PUBCHEM_637	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_637	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_637	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_637	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_637	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_637	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_637	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_637	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_637	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_637	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_637	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_637	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_637	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_637	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_637	Cc1cc(O)ccc1	C108394
PUBCHEM_637	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_637	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_637	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_637	OCCCCO	C110634
PUBCHEM_637	O=C(OCCCC)C=C	C141322
PUBCHEM_637	C(OCCCC)C1CO1	C2426086
PUBCHEM_637	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_637	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_637	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_637	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_637	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_637	Cc1c(C)cccc1O	C526750
PUBCHEM_637	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_637	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_637	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_637	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_637	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_637	OCC(C(O)CCC)CC	C94962
PUBCHEM_637	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_637	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_637	c1c(CO)occ1	C98000
PUBCHEM_637	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_637	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_637	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_637	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_637	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_637	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_637	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_637	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_637	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_637	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_637	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_637	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_637	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_637	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_637	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_637	OCCc1ccccc1	C60128
PUBCHEM_637	O=C(O)c1ccccc1O	C69727
PUBCHEM_637	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_637	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_637	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_637	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_637	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_637	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_637	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_637	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_637	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_637	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_637	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_637	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_637	O=C(C)OCCOCCCC	C112072
PUBCHEM_637	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_637	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_637	OC(CCCCCC)C	C123966
PUBCHEM_637	Oc1ccc2ccccc2c1	C135193
PUBCHEM_637	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_637	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_637	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_637	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_637	OC(C)COc1ccccc1	C770354
PUBCHEM_637	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_637	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_637	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_637	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_637	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_637	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_637	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_637	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_637	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_637	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_637	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_637	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_637	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_637	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_637	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_637	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_637	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_637	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_637	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_637	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_637	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_637	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_637	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_637	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_637	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_637	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_637	OCC1OCCC1	C97994
PUBCHEM_637	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_637	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_637	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_637	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_637	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_637	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_637	OCC(CCC)CCCCC	C10042598
PUBCHEM_637	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_637	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_637	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_637	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_637	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_637	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_637	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_637	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_637	OC(OCCCC)CC	C29387868
PUBCHEM_637	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_637	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_637	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_637	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_637	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_637	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_637	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_637	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_637	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_637	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_637	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_637	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_637	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_637	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_637	OC1CCCC1	C96413
PUBCHEM_637	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_637	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_637	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_637	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_637	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_637	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_637	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_637	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_637	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_637	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_637	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_637	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_637	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_637	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_637	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_637	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_637	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_637	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_637	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_637	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_637	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_637	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_637	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_637	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_637	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_637	OC(CCCCC)C=C	C3391864
PUBCHEM_637	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_637	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_637	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_637	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_637	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_637	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_637	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_637	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_637	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_637	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_637	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_637	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_637	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_637	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_637	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_637	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_637	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_637	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_637	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_637	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_637	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_637	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_637	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_637	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_637	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_637	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_637	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_637	O=C(c1ccccc1O)C	C118934
PUBCHEM_637	O=C1OCC(CC)O1	C4437858
PUBCHEM_637	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_637	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_637	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_637	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_637	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_637	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_637	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_637	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_637	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_637	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_637	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_637	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_637	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_637	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_637	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_637	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_637	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_637	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_637	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_637	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_637	Oc1ccccc1CN(C)C	C120650
PUBCHEM_637	O=C1CCC(O1)CC	C695067
PUBCHEM_637	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_637	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_637	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_637	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_637	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_637	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_637	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_637	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_637	O1C=CCCC1	C110872
PUBCHEM_637	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_637	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_637	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_637	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_637	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_637	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_637	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_637	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_637	O=C(CCC)OCCCCC	C540181
PUBCHEM_637	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_637	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_637	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_637	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_637	N#Cc1c(O)cccc1	C611201
PUBCHEM_637	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_637	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_637	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_637	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_637	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_637	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_637	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_637	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_637	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_637	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_637	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_637	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_637	OCCOCC(CC)CCCC	C1559359
PUBCHEM_637	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_637	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_637	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_637	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_637	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_637	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_637	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_637	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_637	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_637	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_637	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_637	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_637	OC(C)C(=O)OCCCC	C138227
PUBCHEM_637	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_637	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_637	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_637	Oc1c(OCC)cccc1	C94713
PUBCHEM_637	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_637	COc1ccc(CCC)cc1	C104450
PUBCHEM_637	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_637	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_637	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_637	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_637	OC(CO)c1ccccc1	C93561
PUBCHEM_637	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_637	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_637	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_637	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_637	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_637	O=C(C)OCCCCCCCC	C112141
PUBCHEM_637	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_637	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_637	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_637	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_637	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_637	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_637	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_637	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_637	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_637	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_637	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_637	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_637	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_637	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_637	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_637	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_637	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_637	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_637	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_637	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_637	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_637	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_637	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_637	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_637	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_637	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_637	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_637	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_637	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_637	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_637	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_637	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_637	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_637	O=C1OC(CCC)CC1	C105215
PUBCHEM_637	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_637	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_637	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_637	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_637	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_637	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_637	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_637	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_637	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_637	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_637	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_637	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_637	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_637	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_637	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_637	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_637	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_637	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_637	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_637	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_637	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_637	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_637	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_637	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_637	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_637	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_637	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_637	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_637	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_637	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_637	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_637	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_637	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_637	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_637	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_637	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_637	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_637	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_637	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_637	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_637	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_637	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_637	c1ccccc1OCCO	C122996
PUBCHEM_637	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_637	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_637	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_637	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_637	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_637	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_637	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_637	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_637	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_637	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_637	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_637	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_637	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_637	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_637	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_637	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_637	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_637	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_637	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_637	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_637	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_637	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_637	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_637	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_637	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_637	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_637	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_637	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_637	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_637	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_637	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_637	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_637	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_637	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_637	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_637	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_637	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_637	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_637	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_637	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_637	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_637	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_637	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_637	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_637	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_637	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_637	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_637	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_637	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_637	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_637	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_637	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_637	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_637	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_637	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_637	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_637	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_637	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_637	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_637	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_637	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_637	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_637	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_637	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_637	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_637	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_637	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_637	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_637	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_637	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_637	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_637	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_637	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_637	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_637	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_637	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_637	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_637	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_637	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_637	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_637	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_637	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_637	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_637	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_637	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_637	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_637	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_637	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_637	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_637	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_637	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_637	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_637	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_637	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_637	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_637	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_637	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_637	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_637	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_637	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_637	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_637	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_637	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_637	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_637	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_637	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_637	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_637	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_637	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_637	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_637	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_637	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_637	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_637	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_637	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_637	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_637	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_637	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_637	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_637	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_637	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_637	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_637	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_637	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_637	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_637	c1coc2c1cccc2	C271896
PUBCHEM_637	OC(=O)c1ccccc1	C65850
PUBCHEM_637	OCc1ccccc1	C100516
PUBCHEM_637	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_637	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_637	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_637	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_637	O=C1CCCO1	C96480
PUBCHEM_637	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_637	Oc1c(cccc1)O	C120809
PUBCHEM_637	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_637	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_637	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_637	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_637	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_637	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_637	Nc1cc(ccc1OC)C	C120718
PUBCHEM_637	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_637	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_637	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_637	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_637	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_637	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_637	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_637	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_637	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_637	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_637	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_637	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_637	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_637	CCC(CCCC)CO	C104767
PUBCHEM_637	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_637	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_637	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_637	O=Cc1ccco1	C98011
PUBCHEM_637	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_637	Oc1ccc(cc1)O	C123319
PUBCHEM_637	Oc1cccc2cccnc12	C148243
PUBCHEM_637	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_637	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_637	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_637	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_637	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_637	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_637	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_637	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_637	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_637	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_637	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_637	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_637	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_637	Oc1ccccc1	C108952
PUBCHEM_637	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_637	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_637	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_637	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_637	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_637	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_637	Oc1cc(ccc1)O	C108463
PUBCHEM_637	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_637	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_637	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_637	C1C(c2ccccc2)O1	C96093
PUBCHEM_637	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_637	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_637	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_637	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_637	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_637	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_637	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_637	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_637	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_637	OC(=O)CCC	C107926
PUBCHEM_637	CCCCOCCOCCO	C112345
PUBCHEM_637	Oc1ccccc1Cl	C95578
PUBCHEM_637	CCCCCCCCCC(=O)O	C334485
PUBCHEM_637	O=C(O)CCCCCC	C111148
PUBCHEM_637	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_637	CCCCCC(=O)O	C142621
PUBCHEM_637	CCCCCCCCC(=O)O	C112050
PUBCHEM_637	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_637	CCCCCCCC(=O)O	C124072
PUBCHEM_637	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_637	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_637	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_637	Oc1c(C)cccc1	C95487
PUBCHEM_637	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_637	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_637	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_637	Oc1ccc(C)cc1	C106445
PUBCHEM_637	CCCCCCCCO	C111875
PUBCHEM_637	CCCCCCCCCCO	C112301
PUBCHEM_637	CCCCCCCCCCCCCO	C112709
PUBCHEM_637	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_637	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_637	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_637	CCCCOP(=O)(OCCCC)OCCCC	C126738
PUBCHEM_637	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_637	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_637	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_637	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_637	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_637	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_637	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_637	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_637	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_637	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_637	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_637	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_637	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_637	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_637	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_637	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_637	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_637	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_637	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_637	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_637	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_637	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_637	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_637	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_637	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_637	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_637	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_637	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_637	Nc1c(OC)cccc1	C90040
PUBCHEM_637	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_637	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_637	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_637	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_637	Oc1c(cccc1C)C	C576261
PUBCHEM_637	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_637	CCCCOCCO	C111762
PUBCHEM_637	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_637	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_637	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_637	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_637	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_637	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_637	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_637	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_637	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_637	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_637	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_637	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_637	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_637	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_637	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_637	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_637	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_637	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_637	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_637	O=C(O)C(CCCC)CC	C149575
PUBCHEM_637	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_637	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_637	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_637	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_637	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_637	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_637	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_637	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_637	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_637	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_637	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_637	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_637	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_637	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_637	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_637	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_637	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_637	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_637	OCCC(O)C	C107880
PUBCHEM_637	OC(CC(C)C)C	C108112
PUBCHEM_637	O=C(OC)CCCCCCC	C111115
PUBCHEM_637	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_637	OCCOCCCCCC	C112254
PUBCHEM_637	OCCCCCCCCCCC	C112425
PUBCHEM_637	OCCCCCCCCCCCC	C112538
PUBCHEM_637	OCCCCCCCCCCCCCC	C112721
PUBCHEM_637	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_637	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_637	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_637	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_637	O=C(C)OCCCCC	C628637
PUBCHEM_637	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_637	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_637	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_637	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_637	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_637	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_637	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_637	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_637	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_637	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_637	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_637	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_637	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_637	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_637	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_637	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_637	CCC12N(COC1)COC2	C7747355
PUBCHEM_637	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_637	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_637	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_637	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_637	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_637	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_637	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_637	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_637	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_637	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_637	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_637	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_637	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_637	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_637	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_637	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_637	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_637	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_637	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_637	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_637	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_637	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_637	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_637	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_637	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_637	O=C(CCC)OCC	C105544
PUBCHEM_637	O=C(OCC)CCCCCC	C106309
PUBCHEM_637	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_637	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_637	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_637	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_637	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_637	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_637	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_637	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_637	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_637	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_637	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_637	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_637	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_637	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_637	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_637	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_637	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_637	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_637	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_637	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_637	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_637	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_637	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_637	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_637	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_637	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_637	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_637	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_637	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_637	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_637	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_637	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_637	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_637	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_637	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_637	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_637	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_637	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_637	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_637	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_637	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_637	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_637	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_637	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_637	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_637	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_637	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_637	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_637	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_637	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_637	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_637	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_637	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_637	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_637	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_637	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_637	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_637	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_637	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_637	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_637	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_637	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_637	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_637	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_637	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_637	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_637	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_637	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_637	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_637	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_637	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_637	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_637	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_637	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_637	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_637	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_637	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_637	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_637	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_637	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_637	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_637	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_637	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_637	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_637	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_637	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_637	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_637	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_637	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_637	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_637	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_637	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_637	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_637	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_637	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_637	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_637	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_637	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_637	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_637	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_637	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_637	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_637	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_637	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_637	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_637	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_637	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_637	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_637	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_637	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_637	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_637	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_637	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_637	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_637	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_637	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_637	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_637	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_637	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_637	C(CO)C(C)C	C123513
PUBCHEM_637	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_637	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_637	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_637	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_637	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_637	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_637	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_637	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_637	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_637	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_637	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_637	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_637	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_637	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_637	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_637	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_637	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_637	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_637	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_637	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_637	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_637	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_637	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_637	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_637	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_637	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_637	OCCC(OC)C	C2517433
PUBCHEM_637	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_637	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_637	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_637	O=C(OCC)c1ccccc1	C93890
PUBCHEM_637	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_637	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_637	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_637	CC(=O)OCCCC	C123864
PUBCHEM_637	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_637	CCC1CO1	C106887
PUBCHEM_637	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_637	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_637	CC1CC(=O)O1	C3068880
PUBCHEM_637	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_637	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_637	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_637	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_637	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_637	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_637	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_637	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_637	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_637	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_637	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_637	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_637	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_637	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_637	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_637	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_637	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_637	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_637	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_637	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_637	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_637	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_637	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_637	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_637	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_637	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_637	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_637	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_637	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_637	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_637	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_637	Nc1ccc(OC)cc1	C104949
PUBCHEM_637	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_637	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_637	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_637	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_637	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_637	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_637	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_637	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_637	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_637	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_637	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_637	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_637	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_637	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_637	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_637	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_637	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_637	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_637	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_637	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_637	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_637	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_637	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_637	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_637	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_637	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_637	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_637	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_637	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_637	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_637	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_637	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_637	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_637	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_637	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_637	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_637	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_637	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_637	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_637	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_637	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_637	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_637	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_637	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_637	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_637	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_637	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_637	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_637	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_637	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_637	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_637	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_637	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_637	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_637	O=P(OCCCC)(O)OCCCC	C107664
PUBCHEM_637	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_637	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_637	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_637	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_637	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_637	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_637	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_637	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_637	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_637	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_637	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_637	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_637	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_637	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_637	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_637	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_637	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_637	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_637	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_637	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_637	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_637	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_637	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_637	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_637	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_637	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_637	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_637	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_637	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_637	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_637	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_637	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_637	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_637	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_637	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_637	O=C(OCCCCO)C=C	C2478106
PUBCHEM_637	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_637	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_637	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_637	NCCCOCCCCCCCC	C15930662
PUBCHEM_637	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_637	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_637	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_637	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_637	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_637	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_637	CC1COc2ccccc2N1	C32329207
PUBCHEM_637	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_637	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_637	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_637	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_637	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_637	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_637	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_637	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_637	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_637	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_637	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_637	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_637	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_637	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_637	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_637	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_637	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_637	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_637	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_637	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_637	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_637	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_637	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_637	CCCCCc1ccco1	C3777693
PUBCHEM_638	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_638	OC(=O)c1cccnc1	C59676
PUBCHEM_638	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_638	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_638	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_638	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_638	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_638	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_638	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_638	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_638	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_638	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_638	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_638	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_638	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_638	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_638	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_638	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_638	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_638	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_638	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_638	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_638	Oc1ccccc1CN(C)C	C120650
PUBCHEM_638	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_638	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_638	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_638	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_638	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_638	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_638	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_638	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_638	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_638	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_638	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_638	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_638	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_638	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_638	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_638	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_638	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_638	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_638	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_638	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_638	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_638	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_638	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_638	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_638	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_638	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_638	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_638	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_638	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_638	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_638	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_638	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_638	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_638	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_638	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_638	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_638	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_638	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_638	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_638	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_638	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_638	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_638	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_638	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_638	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_638	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_638	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_638	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_638	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_638	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_638	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_638	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_638	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_638	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_638	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_638	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_638	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_638	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_638	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_638	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_638	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_638	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_638	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_638	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_638	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_638	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_638	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_638	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_638	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_638	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_638	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_638	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_638	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_638	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_638	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_638	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_638	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_638	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_638	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_638	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_638	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_638	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_638	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_638	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_638	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_638	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_638	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_638	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_638	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_638	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_638	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_638	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_638	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_638	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_638	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_638	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_638	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_638	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_638	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_638	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_638	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_638	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_638	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_638	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_638	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_638	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_638	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_638	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_638	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_638	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_638	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_638	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_638	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_638	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_638	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_638	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_638	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_638	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_638	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_638	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_638	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_638	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_638	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_638	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_638	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_638	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_638	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_638	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_638	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_638	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_638	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_638	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_638	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_638	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_638	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_638	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_638	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_638	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_638	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_638	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_638	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_638	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_638	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_638	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_638	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_638	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_638	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_638	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_638	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_638	NCCCOCCCCCCCC	C15930662
PUBCHEM_638	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_638	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_638	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_639	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_639	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_639	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_639	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_639	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_639	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_639	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_639	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_639	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_639	CC(O)CC(C)(C)O	C107415
PUBCHEM_639	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_639	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_639	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_639	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_639	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_639	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_639	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_639	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_639	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_639	[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]	C78115
PUBCHEM_639	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_639	NC(CO)(CO)CO	C77861
PUBCHEM_639	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_639	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_639	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_639	C(OCCCC)C1CO1	C2426086
PUBCHEM_639	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_639	OCC(C(O)CCC)CC	C94962
PUBCHEM_639	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_639	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_639	O=C(O)c1ccccc1O	C69727
PUBCHEM_639	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_639	OCC(CO)(CO)CO	C115775
PUBCHEM_639	OCC(C)(C)CO	C126307
PUBCHEM_639	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_639	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_639	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_639	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_639	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_639	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_639	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_639	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_639	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_639	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_639	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_639	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_639	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_639	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_639	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_639	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_639	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_639	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_639	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_639	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_639	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_639	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_639	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_639	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_639	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_639	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_639	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_639	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_639	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_639	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_639	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_639	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_639	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_639	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_639	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_639	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_639	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_639	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_639	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_639	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_639	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_639	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_639	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_639	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_639	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_639	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_639	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_639	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_639	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_639	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_639	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_639	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_639	OCC(CO)(CBr)CBr	C3296900
PUBCHEM_639	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_639	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_639	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_639	OCC(O)CO	C56815
PUBCHEM_639	OCC1CO1	C556525
PUBCHEM_639	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_639	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_639	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_639	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_639	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_639	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_639	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_639	Oc1cc(ccc1)O	C108463
PUBCHEM_639	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_639	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_639	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_639	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_639	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_639	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_639	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_639	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_639	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_639	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_639	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_639	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_639	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_639	[O-][N+](=O)C(CO)(CO)Br	C52517
PUBCHEM_639	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_639	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_639	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_639	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_639	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_639	OCCC(O)C	C107880
PUBCHEM_639	OCC(CO)([N+](=O)[O-])CO	C126114
PUBCHEM_639	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_639	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_639	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_639	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_639	OC(OCCCOC)CC	C34590948
PUBCHEM_639	O=C(OC)CC(=O)OC	C108598
PUBCHEM_639	CCC12N(COC1)COC2	C7747355
PUBCHEM_639	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_639	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_639	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_639	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_639	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_639	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_639	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_639	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_639	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_639	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_639	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_639	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_639	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_639	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_639	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_639	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_639	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_639	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_639	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_639	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_639	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_639	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_639	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_639	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_639	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_639	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_639	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_639	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_639	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_639	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_639	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_639	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_639	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_639	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_639	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_639	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_639	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_639	OCCC(OC)C	C2517433
PUBCHEM_639	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_639	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_639	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_639	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_639	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_639	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_639	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_639	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_639	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_639	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_639	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_639	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_639	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_639	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_639	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_639	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_639	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_639	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_639	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_639	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_639	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_639	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_639	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_639	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_639	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_639	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_639	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_639	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_639	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_639	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_639	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_639	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_639	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_640	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_640	Nc1ccccc1.Cl	C142041
PUBCHEM_640	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_640	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_640	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_640	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_640	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_640	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_640	CC(=O)OCc1ccccc1	C140114
PUBCHEM_640	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_640	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_640	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_640	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_640	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_640	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_640	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_640	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_640	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_640	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_640	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_640	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_640	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_640	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_640	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_640	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_640	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_640	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_640	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_640	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_640	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_640	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_640	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_640	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_640	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_640	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_640	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_640	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_640	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_640	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_640	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_640	c1cccc2[nH]ccc12	C120729
PUBCHEM_640	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_640	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_640	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_640	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_640	COc1ccc(cc1)O	C150765
PUBCHEM_640	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_640	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_640	C=Cc1ccc(cc1)C	C622979
PUBCHEM_640	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_640	NC(=O)c1cccnc1	C98920
PUBCHEM_640	OC(=O)c1cccnc1	C59676
PUBCHEM_640	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_640	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_640	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_640	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_640	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_640	Nc1ccc(cc1)N	C106503
PUBCHEM_640	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_640	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_640	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_640	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_640	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_640	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_640	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_640	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_640	Nc1ccccc1C.Cl	C636215
PUBCHEM_640	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_640	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_640	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_640	O=CCc1ccccc1	C122781
PUBCHEM_640	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_640	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_640	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_640	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_640	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_640	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_640	O=Cc1ccccc1O	C90028
PUBCHEM_640	Oc1cccc2ccccc12	C90153
PUBCHEM_640	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_640	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_640	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_640	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_640	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_640	Oc1ccc(Cl)cc1	C106489
PUBCHEM_640	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_640	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_640	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_640	Oc1ccc(CC)cc1	C123079
PUBCHEM_640	COc1ccc(OC)cc1	C150787
PUBCHEM_640	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_640	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_640	Oc1ccc(CCC)cc1	C645567
PUBCHEM_640	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_640	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_640	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_640	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_640	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_640	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_640	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_640	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_640	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_640	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_640	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_640	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_640	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_640	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_640	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_640	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_640	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_640	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_640	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_640	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_640	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_640	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_640	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_640	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_640	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_640	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_640	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_640	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_640	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_640	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_640	c1(c(CC)cccc1)O	C90006
PUBCHEM_640	c1c(O)cccc1CC	C620177
PUBCHEM_640	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_640	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_640	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_640	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_640	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_640	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_640	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_640	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_640	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_640	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_640	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_640	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_640	c1cccc(OC)c1O	C90051
PUBCHEM_640	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_640	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_640	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_640	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_640	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_640	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_640	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_640	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_640	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_640	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_640	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_640	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_640	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_640	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_640	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_640	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_640	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_640	Cc1cc(O)ccc1	C108394
PUBCHEM_640	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_640	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_640	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_640	c1ccc2ncsc2c1	C95169
PUBCHEM_640	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_640	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_640	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_640	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_640	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_640	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_640	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_640	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_640	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_640	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_640	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_640	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_640	Cc1c(C)cccc1O	C526750
PUBCHEM_640	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_640	C=Cc1ccccc1C=C	C1321740
PUBCHEM_640	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_640	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_640	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_640	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_640	CCC(=CCCC)C=O	C645625
PUBCHEM_640	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_640	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_640	c1c(CO)occ1	C98000
PUBCHEM_640	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_640	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_640	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_640	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_640	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_640	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_640	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_640	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_640	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_640	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_640	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_640	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_640	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_640	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_640	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_640	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_640	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_640	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_640	c12ccccc1CCCC2	C119642
PUBCHEM_640	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_640	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_640	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_640	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_640	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_640	Cc1cccc(C)c1	C108383
PUBCHEM_640	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_640	OCCc1ccccc1	C60128
PUBCHEM_640	O=C(O)c1ccccc1O	C69727
PUBCHEM_640	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_640	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_640	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_640	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_640	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_640	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_640	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_640	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_640	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_640	Sc1ccccc1	C108985
PUBCHEM_640	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_640	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_640	Oc1ccc2ccccc2c1	C135193
PUBCHEM_640	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_640	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_640	Brc1ccc(F)cc1	C460004
PUBCHEM_640	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_640	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_640	ClP(c1ccccc1)Cl	C644973
PUBCHEM_640	OC(C)COc1ccccc1	C770354
PUBCHEM_640	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_640	Nc1cccc(C)c1C	C1300738
PUBCHEM_640	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_640	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_640	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_640	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_640	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_640	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_640	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_640	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_640	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_640	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_640	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_640	Nc1c(C)cccc1CC	C24549062
PUBCHEM_640	Clc1cccc(C)c1	C25168052
PUBCHEM_640	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_640	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_640	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_640	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_640	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_640	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_640	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_640	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_640	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_640	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_640	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_640	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_640	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_640	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_640	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_640	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_640	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_640	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_640	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_640	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_640	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_640	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_640	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_640	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_640	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_640	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_640	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_640	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_640	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_640	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_640	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_640	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_640	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_640	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_640	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_640	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_640	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_640	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_640	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_640	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_640	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_640	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_640	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_640	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_640	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_640	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_640	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_640	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_640	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_640	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_640	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_640	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_640	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_640	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_640	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_640	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_640	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_640	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_640	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_640	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_640	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_640	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_640	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_640	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_640	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_640	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_640	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_640	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_640	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_640	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_640	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_640	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_640	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_640	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_640	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_640	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_640	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_640	OC(CCCCC)C=C	C3391864
PUBCHEM_640	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_640	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_640	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_640	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_640	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_640	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_640	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_640	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_640	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_640	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_640	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_640	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_640	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_640	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_640	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_640	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_640	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_640	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_640	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_640	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_640	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_640	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_640	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_640	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_640	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_640	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_640	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_640	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_640	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_640	O=C(c1ccccc1O)C	C118934
PUBCHEM_640	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_640	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_640	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_640	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_640	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_640	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_640	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_640	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_640	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_640	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_640	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_640	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_640	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_640	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_640	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_640	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_640	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_640	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_640	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_640	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_640	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_640	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_640	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_640	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_640	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_640	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_640	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_640	Oc1ccccc1CN(C)C	C120650
PUBCHEM_640	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_640	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_640	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_640	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_640	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_640	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_640	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_640	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_640	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_640	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_640	O=C/C=C/CCC	C6728263
PUBCHEM_640	O1C=CCCC1	C110872
PUBCHEM_640	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_640	OCC=Cc1ccccc1	C104541
PUBCHEM_640	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_640	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_640	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_640	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_640	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_640	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_640	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_640	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_640	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_640	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_640	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_640	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_640	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_640	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_640	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_640	N#Cc1c(O)cccc1	C611201
PUBCHEM_640	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_640	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_640	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_640	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_640	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_640	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_640	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_640	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_640	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_640	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_640	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_640	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_640	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_640	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_640	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_640	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_640	c12ccccc1CC=C2	C95136
PUBCHEM_640	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_640	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_640	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_640	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_640	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_640	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_640	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_640	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_640	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_640	Oc1c(OCC)cccc1	C94713
PUBCHEM_640	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_640	COc1ccc(CCC)cc1	C104450
PUBCHEM_640	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_640	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_640	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_640	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_640	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_640	OC(CO)c1ccccc1	C93561
PUBCHEM_640	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_640	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_640	O=C(N)Nc1ccccc1	C64108
PUBCHEM_640	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_640	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_640	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_640	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_640	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_640	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_640	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_640	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_640	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_640	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_640	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_640	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_640	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_640	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_640	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_640	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_640	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_640	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_640	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_640	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_640	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_640	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_640	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_640	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_640	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_640	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_640	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_640	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_640	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_640	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_640	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_640	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_640	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_640	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_640	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_640	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_640	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_640	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_640	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_640	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_640	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_640	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_640	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_640	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_640	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_640	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_640	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_640	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_640	Sc1ccc(C)cc1	C106456
PUBCHEM_640	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_640	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_640	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_640	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_640	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_640	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_640	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_640	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_640	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_640	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_640	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_640	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_640	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_640	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_640	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_640	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_640	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_640	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_640	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_640	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_640	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_640	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_640	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_640	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_640	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_640	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_640	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_640	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_640	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_640	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_640	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_640	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_640	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_640	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_640	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_640	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_640	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_640	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_640	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_640	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_640	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_640	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_640	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_640	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_640	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_640	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_640	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_640	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_640	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_640	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_640	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_640	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_640	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_640	c1ccccc1OCCO	C122996
PUBCHEM_640	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_640	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_640	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_640	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_640	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_640	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_640	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_640	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_640	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_640	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_640	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_640	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_640	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_640	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_640	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_640	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_640	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_640	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_640	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_640	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_640	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_640	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_640	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_640	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_640	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_640	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_640	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_640	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_640	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_640	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_640	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_640	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_640	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_640	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_640	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_640	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_640	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_640	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_640	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_640	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_640	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_640	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_640	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_640	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_640	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_640	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_640	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_640	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_640	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_640	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_640	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_640	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_640	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_640	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_640	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_640	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_640	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_640	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_640	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_640	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_640	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_640	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_640	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_640	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_640	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_640	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_640	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_640	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_640	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_640	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_640	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_640	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_640	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_640	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_640	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_640	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_640	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_640	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_640	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_640	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_640	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_640	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_640	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_640	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_640	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_640	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_640	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_640	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_640	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_640	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_640	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_640	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_640	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_640	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_640	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_640	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_640	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_640	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_640	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_640	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_640	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_640	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_640	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_640	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_640	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_640	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_640	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_640	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_640	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_640	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_640	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_640	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_640	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_640	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_640	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_640	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_640	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_640	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_640	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_640	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_640	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_640	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_640	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_640	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_640	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_640	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_640	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_640	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_640	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_640	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_640	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_640	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_640	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_640	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_640	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_640	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_640	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_640	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_640	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_640	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_640	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_640	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_640	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_640	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_640	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_640	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_640	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_640	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_640	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_640	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_640	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_640	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_640	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_640	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_640	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_640	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_640	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_640	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_640	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_640	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_640	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_640	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_640	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_640	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_640	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_640	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_640	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_640	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_640	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_640	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_640	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_640	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_640	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_640	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_640	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_640	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_640	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_640	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_640	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_640	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_640	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_640	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_640	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_640	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_640	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_640	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_640	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_640	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_640	c1coc2c1cccc2	C271896
PUBCHEM_640	OC(=O)c1ccccc1	C65850
PUBCHEM_640	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_640	OCc1ccccc1	C100516
PUBCHEM_640	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_640	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_640	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_640	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_640	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_640	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_640	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_640	Oc1c(cccc1)O	C120809
PUBCHEM_640	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_640	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_640	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_640	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_640	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_640	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_640	O=C(c1ccccc1)CCl	C532274
PUBCHEM_640	Nc1ccc(cc1)Cl	C106478
PUBCHEM_640	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_640	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_640	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_640	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_640	Nc1cc(ccc1OC)C	C120718
PUBCHEM_640	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_640	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_640	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_640	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_640	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_640	Clc1c(cccc1)Cl	C95501
PUBCHEM_640	Clc1ccc(cc1)Cl	C106467
PUBCHEM_640	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_640	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_640	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_640	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_640	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_640	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_640	CN(c1ccccc1)C	C121697
PUBCHEM_640	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_640	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_640	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_640	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_640	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_640	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_640	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_640	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_640	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_640	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_640	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_640	O=Cc1ccco1	C98011
PUBCHEM_640	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_640	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_640	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_640	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_640	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_640	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_640	Oc1ccc(cc1)O	C123319
PUBCHEM_640	Oc1cccc2cccnc12	C148243
PUBCHEM_640	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_640	O=C(c1ccncc1)NN	C54853
PUBCHEM_640	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_640	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_640	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_640	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_640	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_640	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_640	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_640	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_640	Cc1cc2cccnc2cc1	C91623
PUBCHEM_640	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_640	c1c2c(ccc1)cccc2	C91203
PUBCHEM_640	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_640	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_640	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_640	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_640	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_640	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_640	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_640	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_640	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_640	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_640	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_640	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_640	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_640	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_640	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_640	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_640	Oc1ccccc1	C108952
PUBCHEM_640	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_640	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_640	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_640	Nc1cc(ccc1)N	C108452
PUBCHEM_640	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_640	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_640	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_640	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_640	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_640	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_640	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_640	Oc1cc(ccc1)O	C108463
PUBCHEM_640	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_640	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_640	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_640	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_640	C1C(c2ccccc2)O1	C96093
PUBCHEM_640	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_640	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_640	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_640	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_640	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_640	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_640	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_640	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_640	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_640	Oc1ccccc1Cl	C95578
PUBCHEM_640	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_640	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_640	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_640	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_640	n1cccc2c1cccc2	C91225
PUBCHEM_640	CCN(CC)c1ccccc1	C91667
PUBCHEM_640	Oc1c(C)cccc1	C95487
PUBCHEM_640	c1ccccc1C(=O)C	C98862
PUBCHEM_640	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_640	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_640	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_640	CCNc1cc(C)ccc1	C102272
PUBCHEM_640	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_640	Oc1ccc(C)cc1	C106445
PUBCHEM_640	Nc1ccc(C)cc1	C106490
PUBCHEM_640	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_640	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_640	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_640	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_640	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_640	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_640	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_640	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_640	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_640	Clc1cc(Cl)ccc1	C541731
PUBCHEM_640	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_640	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_640	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_640	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_640	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_640	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_640	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_640	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_640	c1(CCCC)ccccc1	C104518
PUBCHEM_640	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_640	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_640	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_640	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_640	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_640	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_640	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_640	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_640	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_640	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_640	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_640	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_640	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_640	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_640	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_640	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_640	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_640	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_640	Nc1c(OC)cccc1	C90040
PUBCHEM_640	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_640	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_640	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_640	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_640	Cc1ccccc1Cl	C95498
PUBCHEM_640	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_640	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_640	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_640	Oc1c(cccc1C)C	C576261
PUBCHEM_640	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_640	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_640	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_640	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_640	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_640	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_640	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_640	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_640	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_640	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_640	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_640	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_640	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_640	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_640	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_640	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_640	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_640	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_640	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_640	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_640	Cc1ccc(Cl)cc1	C106434
PUBCHEM_640	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_640	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_640	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_640	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_640	Nc1cc(C)ccc1N	C496720
PUBCHEM_640	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_640	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_640	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_640	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_640	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_640	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_640	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_640	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_640	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_640	N(c1ccccc1)CC	C103695
PUBCHEM_640	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_640	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_640	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_640	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_640	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_640	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_640	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_640	Nc1c(N)cccc1	C95545
PUBCHEM_640	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_640	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_640	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_640	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_640	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_640	Nc1c(cccc1)C	C95534
PUBCHEM_640	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_640	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_640	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_640	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_640	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_640	Nc1c(cccc1C)C	C87627
PUBCHEM_640	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_640	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_640	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_640	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_640	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_640	N#Cc1cnccc1	C100549
PUBCHEM_640	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_640	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_640	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_640	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_640	Nc1cccc(C)c1	C108441
PUBCHEM_640	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_640	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_640	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_640	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_640	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_640	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_640	Nc1c(CC)cccc1CC	C579668
PUBCHEM_640	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_640	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_640	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_640	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_640	Nc1cccc(C)c1N	C2687254
PUBCHEM_640	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_640	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_640	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_640	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_640	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_640	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_640	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_640	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_640	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_640	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_640	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_640	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_640	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_640	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_640	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_640	O=Cc1ccccc1C=O	C643798
PUBCHEM_640	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_640	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_640	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_640	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_640	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_640	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_640	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_640	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_640	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_640	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_640	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_640	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_640	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_640	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_640	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_640	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_640	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_640	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_640	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_640	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_640	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_640	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_640	CCCc1ccccc1	C103651
PUBCHEM_640	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_640	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_640	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_640	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_640	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_640	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_640	CC(C)(C)c1ccccc1	C98066
PUBCHEM_640	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_640	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_640	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_640	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_640	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_640	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_640	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_640	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_640	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_640	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_640	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_640	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_640	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_640	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_640	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_640	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_640	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_640	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_640	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_640	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_640	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_640	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_640	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_640	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_640	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_640	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_640	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_640	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_640	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_640	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_640	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_640	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_640	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_640	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_640	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_640	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_640	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_640	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_640	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_640	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_640	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_640	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_640	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_640	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_640	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_640	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_640	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_640	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_640	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_640	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_640	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_640	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_640	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_640	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_640	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_640	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_640	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_640	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_640	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_640	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_640	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_640	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_640	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_640	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_640	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_640	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_640	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_640	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_640	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_640	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_640	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_640	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_640	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_640	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_640	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_640	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_640	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_640	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_640	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_640	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_640	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_640	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_640	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_640	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_640	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_640	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_640	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_640	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_640	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_640	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_640	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_640	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_640	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_640	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_640	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_640	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_640	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_640	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_640	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_640	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_640	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_640	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_640	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_640	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_640	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_640	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_640	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_640	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_640	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_640	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_640	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_640	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_640	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_640	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_640	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_640	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_640	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_640	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_640	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_640	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_640	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_640	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_640	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_640	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_640	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_640	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_640	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_640	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_640	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_640	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_640	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_640	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_640	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_640	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_640	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_640	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_640	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_640	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_640	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_640	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_640	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_640	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_640	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_640	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_640	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_640	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_640	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_640	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_640	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_640	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_640	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_640	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_640	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_640	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_640	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_640	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_640	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_640	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_640	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_640	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_640	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_640	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_640	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_640	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_640	O=C(OCC)c1ccccc1	C93890
PUBCHEM_640	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_640	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_640	NCc1cccc(CN)c1	C1477550
PUBCHEM_640	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_640	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_640	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_640	n1cc(C)ccc1	C108996
PUBCHEM_640	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_640	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_640	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_640	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_640	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_640	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_640	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_640	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_640	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_640	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_640	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_640	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_640	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_640	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_640	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_640	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_640	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_640	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_640	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_640	NNc1ccccc1.Cl	C59881
PUBCHEM_640	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_640	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_640	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_640	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_640	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_640	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_640	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_640	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_640	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_640	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_640	N#Cc1ccccc1	C100470
PUBCHEM_640	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_640	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_640	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_640	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_640	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_640	Nc1ccc(Br)cc1	C106401
PUBCHEM_640	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_640	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_640	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_640	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_640	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_640	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_640	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_640	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_640	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_640	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_640	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_640	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_640	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_640	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_640	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_640	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_640	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_640	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_640	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_640	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_640	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_640	Nc1ccc(OC)cc1	C104949
PUBCHEM_640	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_640	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_640	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_640	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_640	O=CC=CC=CCCCCC	C25152845
PUBCHEM_640	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_640	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_640	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_640	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_640	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_640	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_640	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_640	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_640	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_640	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_640	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_640	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_640	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_640	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_640	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_640	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_640	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_640	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_640	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_640	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_640	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_640	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_640	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_640	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_640	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_640	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_640	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_640	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_640	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_640	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_640	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_640	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_640	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_640	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_640	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_640	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_640	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_640	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_640	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_640	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_640	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_640	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_640	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_640	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_640	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_640	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_640	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_640	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_640	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_640	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_640	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_640	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_640	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_640	O=CCCCCCCCCC=C	C112458
PUBCHEM_640	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_640	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_640	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_640	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_640	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_640	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_640	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_640	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_640	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_640	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_640	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_640	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_640	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_640	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_640	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_640	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_640	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_640	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_640	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_640	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_640	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_640	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_640	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_640	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_640	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_640	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_640	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_640	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_640	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_640	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_640	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_640	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_640	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_640	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_640	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_640	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_640	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_640	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_640	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_640	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_640	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_640	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_640	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_640	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_640	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_640	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_640	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_640	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_640	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_640	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_640	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_640	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_640	Cl[Hg]c1ccccc1	C100561
PUBCHEM_640	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_640	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_640	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_640	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_640	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_640	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_640	O=[As]c1ccccc1	C637036
PUBCHEM_640	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_640	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_640	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_640	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_640	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_640	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_640	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_640	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_640	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_640	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_640	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_640	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_640	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_640	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_640	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_640	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_640	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_640	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_640	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_640	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_640	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_640	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_640	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_640	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_640	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_640	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_640	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_640	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_640	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_640	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_640	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_640	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_640	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_640	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_640	Nc1cccc(C)n1	C1824813
PUBCHEM_640	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_640	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_640	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_640	CC1COc2ccccc2N1	C32329207
PUBCHEM_640	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_640	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_640	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_640	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_640	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_640	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_640	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_640	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_640	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_640	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_640	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_640	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_640	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_640	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_640	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_640	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_640	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_640	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_640	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_640	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_640	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_640	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_640	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_640	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_640	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_640	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_640	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_640	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_640	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_640	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_640	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_640	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_640	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_640	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_640	CCCCCc1ccco1	C3777693
PUBCHEM_640	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_641	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_641	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_641	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_641	CC(=O)OCc1ccccc1	C140114
PUBCHEM_641	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_641	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_641	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_641	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_641	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_641	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_641	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_641	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_641	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_641	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_641	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_641	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_641	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_641	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_641	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_641	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_641	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_641	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_641	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_641	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_641	COc1ccc(cc1)O	C150765
PUBCHEM_641	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_641	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_641	OC(=O)c1cccnc1	C59676
PUBCHEM_641	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_641	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_641	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_641	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_641	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_641	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_641	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_641	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_641	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_641	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_641	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_641	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_641	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_641	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_641	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_641	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_641	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_641	O=Cc1ccccc1O	C90028
PUBCHEM_641	Oc1cccc2ccccc12	C90153
PUBCHEM_641	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_641	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_641	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_641	Oc1ccc(Cl)cc1	C106489
PUBCHEM_641	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_641	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_641	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_641	Oc1ccc(CC)cc1	C123079
PUBCHEM_641	COc1ccc(OC)cc1	C150787
PUBCHEM_641	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_641	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_641	Oc1ccc(CCC)cc1	C645567
PUBCHEM_641	CC/C=C\CCO	C928961
PUBCHEM_641	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_641	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_641	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_641	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_641	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_641	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_641	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_641	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_641	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_641	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_641	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_641	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_641	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_641	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_641	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_641	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_641	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_641	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_641	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_641	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_641	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_641	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_641	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_641	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_641	c1(c(CC)cccc1)O	C90006
PUBCHEM_641	c1c(O)cccc1CC	C620177
PUBCHEM_641	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_641	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_641	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_641	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_641	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_641	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_641	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_641	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_641	c1cccc(OC)c1O	C90051
PUBCHEM_641	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_641	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_641	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_641	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_641	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_641	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_641	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_641	Cc1cc(O)ccc1	C108394
PUBCHEM_641	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_641	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_641	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_641	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_641	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_641	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_641	Cc1c(C)cccc1O	C526750
PUBCHEM_641	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_641	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_641	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_641	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_641	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_641	c1c(CO)occ1	C98000
PUBCHEM_641	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_641	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_641	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_641	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_641	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_641	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_641	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_641	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_641	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_641	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_641	OCCc1ccccc1	C60128
PUBCHEM_641	O=C(O)c1ccccc1O	C69727
PUBCHEM_641	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_641	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_641	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_641	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_641	Oc1ccc2ccccc2c1	C135193
PUBCHEM_641	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_641	OC(C)COc1ccccc1	C770354
PUBCHEM_641	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_641	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_641	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_641	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_641	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_641	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_641	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_641	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_641	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_641	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_641	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_641	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_641	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_641	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_641	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_641	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_641	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_641	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_641	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_641	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_641	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_641	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_641	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_641	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_641	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_641	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_641	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_641	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_641	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_641	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_641	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_641	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_641	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_641	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_641	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_641	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_641	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_641	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_641	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_641	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_641	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_641	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_641	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_641	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_641	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_641	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_641	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_641	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_641	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_641	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_641	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_641	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_641	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_641	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_641	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_641	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_641	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_641	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_641	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_641	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_641	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_641	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_641	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_641	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_641	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_641	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_641	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_641	O=C(c1ccccc1O)C	C118934
PUBCHEM_641	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_641	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_641	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_641	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_641	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_641	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_641	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_641	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_641	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_641	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_641	Oc1ccccc1CN(C)C	C120650
PUBCHEM_641	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_641	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_641	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_641	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_641	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_641	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_641	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_641	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_641	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_641	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_641	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_641	N#Cc1c(O)cccc1	C611201
PUBCHEM_641	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_641	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_641	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_641	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_641	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_641	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_641	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_641	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_641	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_641	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_641	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_641	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_641	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_641	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_641	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_641	Oc1c(OCC)cccc1	C94713
PUBCHEM_641	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_641	COc1ccc(CCC)cc1	C104450
PUBCHEM_641	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_641	OC(CO)c1ccccc1	C93561
PUBCHEM_641	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_641	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_641	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_641	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_641	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_641	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_641	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_641	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_641	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_641	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_641	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_641	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_641	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_641	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_641	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_641	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_641	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_641	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_641	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_641	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_641	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_641	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_641	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_641	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_641	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_641	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_641	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_641	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_641	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_641	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_641	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_641	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_641	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_641	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_641	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_641	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_641	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_641	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_641	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_641	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_641	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_641	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_641	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_641	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_641	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_641	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_641	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_641	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_641	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_641	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_641	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_641	c1ccccc1OCCO	C122996
PUBCHEM_641	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_641	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_641	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_641	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_641	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_641	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_641	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_641	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_641	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_641	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_641	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_641	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_641	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_641	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_641	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_641	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_641	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_641	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_641	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_641	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_641	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_641	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_641	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_641	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_641	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_641	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_641	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_641	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_641	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_641	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_641	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_641	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_641	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_641	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_641	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_641	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_641	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_641	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_641	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_641	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_641	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_641	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_641	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_641	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_641	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_641	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_641	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_641	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_641	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_641	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_641	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_641	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_641	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_641	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_641	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_641	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_641	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_641	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_641	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_641	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_641	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_641	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_641	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_641	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_641	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_641	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_641	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_641	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_641	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_641	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_641	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_641	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_641	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_641	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_641	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_641	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_641	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_641	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_641	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_641	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_641	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_641	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_641	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_641	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_641	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_641	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_641	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_641	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_641	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_641	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_641	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_641	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_641	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_641	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_641	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_641	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_641	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_641	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_641	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_641	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_641	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_641	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_641	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_641	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_641	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_641	c1coc2c1cccc2	C271896
PUBCHEM_641	OC(=O)c1ccccc1	C65850
PUBCHEM_641	OCc1ccccc1	C100516
PUBCHEM_641	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_641	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_641	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_641	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_641	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_641	Oc1c(cccc1)O	C120809
PUBCHEM_641	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_641	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_641	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_641	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_641	Nc1cc(ccc1OC)C	C120718
PUBCHEM_641	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_641	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_641	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_641	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_641	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_641	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_641	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_641	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_641	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_641	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_641	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_641	O=Cc1ccco1	C98011
PUBCHEM_641	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_641	Oc1ccc(cc1)O	C123319
PUBCHEM_641	Oc1cccc2cccnc12	C148243
PUBCHEM_641	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_641	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_641	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_641	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_641	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_641	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_641	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_641	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_641	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_641	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_641	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_641	Oc1ccccc1	C108952
PUBCHEM_641	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_641	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_641	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_641	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_641	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_641	Oc1cc(ccc1)O	C108463
PUBCHEM_641	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_641	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_641	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_641	C1C(c2ccccc2)O1	C96093
PUBCHEM_641	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_641	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_641	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_641	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_641	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_641	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_641	Oc1ccccc1Cl	C95578
PUBCHEM_641	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_641	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_641	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_641	Oc1c(C)cccc1	C95487
PUBCHEM_641	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_641	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_641	Oc1ccc(C)cc1	C106445
PUBCHEM_641	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_641	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_641	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_641	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_641	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_641	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_641	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_641	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_641	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_641	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_641	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_641	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_641	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_641	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_641	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_641	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_641	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_641	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_641	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_641	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_641	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_641	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_641	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_641	Nc1c(OC)cccc1	C90040
PUBCHEM_641	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_641	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_641	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_641	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_641	Oc1c(cccc1C)C	C576261
PUBCHEM_641	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_641	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_641	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_641	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_641	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_641	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_641	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_641	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_641	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_641	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_641	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_641	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_641	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_641	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_641	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_641	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_641	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_641	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_641	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_641	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_641	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_641	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_641	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_641	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_641	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_641	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_641	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_641	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_641	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_641	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_641	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_641	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_641	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_641	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_641	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_641	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_641	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_641	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_641	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_641	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_641	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_641	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_641	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_641	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_641	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_641	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_641	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_641	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_641	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_641	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_641	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_641	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_641	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_641	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_641	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_641	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_641	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_641	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_641	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_641	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_641	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_641	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_641	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_641	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_641	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_641	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_641	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_641	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_641	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_641	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_641	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_641	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_641	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_641	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_641	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_641	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_641	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_641	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_641	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_641	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_641	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_641	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_641	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_641	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_641	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_641	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_641	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_641	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_641	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_641	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_641	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_641	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_641	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_641	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_641	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_641	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_641	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_641	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_641	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_641	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_641	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_641	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_641	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_641	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_641	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_641	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_641	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_641	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_641	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_641	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_641	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_641	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_641	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_641	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_641	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_641	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_641	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_641	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_641	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_641	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_641	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_641	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_641	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_641	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_641	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_641	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_641	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_641	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_641	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_641	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_641	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_641	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_641	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_641	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_641	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_641	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_641	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_641	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_641	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_641	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_641	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_641	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_641	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_641	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_641	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_641	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_641	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_641	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_641	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_641	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_641	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_641	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_641	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_641	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_641	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_641	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_641	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_641	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_641	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_641	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_641	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_641	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_641	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_641	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_641	O=C(OCC)c1ccccc1	C93890
PUBCHEM_641	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_641	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_641	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_641	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_641	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_641	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_641	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_641	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_641	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_641	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_641	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_641	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_641	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_641	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_641	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_641	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_641	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_641	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_641	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_641	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_641	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_641	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_641	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_641	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_641	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_641	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_641	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_641	Nc1ccc(OC)cc1	C104949
PUBCHEM_641	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_641	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_641	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_641	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_641	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_641	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_641	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_641	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_641	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_641	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_641	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_641	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_641	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_641	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_641	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_641	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_641	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_641	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_641	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_641	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_641	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_641	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_641	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_641	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_641	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_641	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_641	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_641	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_641	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_641	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_641	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_641	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_641	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_641	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_641	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_641	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_641	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_641	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_641	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_641	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_641	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_641	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_641	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_641	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_641	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_641	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_641	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_641	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_641	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_641	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_641	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_641	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_641	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_641	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_641	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_641	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_641	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_641	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_641	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_641	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_641	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_641	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_641	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_641	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_641	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_641	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_641	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_641	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_641	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_641	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_641	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_641	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_641	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_641	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_641	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_641	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_641	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_641	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_641	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_641	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_641	CC1COc2ccccc2N1	C32329207
PUBCHEM_641	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_641	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_641	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_641	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_641	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_641	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_641	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_641	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_641	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_641	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_641	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_641	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_641	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_641	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_641	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_641	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_641	CCCCCc1ccco1	C3777693
PUBCHEM_642	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_642	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_642	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_642	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_642	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_642	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_642	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_642	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_642	O=Cc1ccccc1O	C90028
PUBCHEM_642	CCOC(=O)CC(=O)OCC	C105533
PUBCHEM_642	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_642	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_642	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_642	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_642	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_642	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_642	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_642	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_642	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_642	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_642	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_642	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_642	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_642	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_642	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_642	O=C(O)c1ccccc1O	C69727
PUBCHEM_642	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_642	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_642	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_642	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_642	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_642	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_642	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_642	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_642	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_642	O=C(c1ccccc1O)C	C118934
PUBCHEM_642	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_642	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_642	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_642	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_642	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_642	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_642	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_642	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_642	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_642	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_642	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_642	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_642	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_642	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_642	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_642	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_642	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_642	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_642	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_642	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_642	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_642	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_642	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_642	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_642	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_642	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_642	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_642	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_642	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_642	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_642	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_642	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_642	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_642	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_642	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_642	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_642	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_642	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_642	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_642	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_642	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_642	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_642	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_642	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_642	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_642	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_642	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_642	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_642	O=C(OC)CC(=O)OC	C108598
PUBCHEM_642	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_642	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_642	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_642	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_642	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_642	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_642	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_642	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_642	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_642	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_642	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_642	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_642	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_642	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_642	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_642	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_642	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_642	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_642	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_642	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_642	CC1CC(=O)O1	C3068880
PUBCHEM_642	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_642	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_642	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_642	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_642	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_642	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_642	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_642	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_642	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_642	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_642	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_642	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_642	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_642	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_642	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_642	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_642	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_642	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_642	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_642	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_642	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_642	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_642	O=C(CC(=O)C)OC(C)(C)C	C1694311
PUBCHEM_642	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_642	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_642	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_642	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_642	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_643	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_643	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_644	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_644	OCn1nc(C)cc1C	C85264331
PUBCHEM_644	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_644	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_644	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_644	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_644	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_644	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_644	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_644	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_644	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_644	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_644	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_644	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_644	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_644	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_644	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_644	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_644	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_644	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_644	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_644	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_644	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_644	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_644	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_644	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_644	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_644	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_644	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_644	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_644	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_644	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_644	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_644	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_644	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_644	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_644	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_644	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_644	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_644	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_644	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_644	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_644	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_644	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_644	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_644	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_644	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_644	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_644	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_644	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_644	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_644	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_644	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_644	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_644	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_645	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_645	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_645	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_645	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_645	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_645	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_645	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_645	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_645	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_645	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_645	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_645	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_645	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_645	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_645	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_645	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_645	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_645	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_645	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_645	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_645	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_645	O=C1NCCC1	C616455
PUBCHEM_645	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_645	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_645	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_645	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_645	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_645	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_645	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_645	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_645	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_645	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_645	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_645	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_645	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_645	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_645	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_645	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_645	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_645	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_645	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_645	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_645	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_645	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_645	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_645	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_645	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_645	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_645	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_645	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_645	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_645	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_645	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_645	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_645	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_645	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_645	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_645	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_645	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_645	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_645	O=C(N)Nc1ccccc1	C64108
PUBCHEM_645	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_645	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_645	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_645	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_645	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_645	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_645	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_645	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_645	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_645	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_645	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_645	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_645	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_645	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_645	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_645	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_645	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_645	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_645	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_645	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_645	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_645	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_645	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_645	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_645	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_645	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_645	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_645	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_645	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_645	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_645	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_645	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_645	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_645	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_645	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_645	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_645	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_645	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_645	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_645	O=C(NCCCC)OCC#CI	C55406536
PUBCHEM_645	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_645	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_645	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_645	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_645	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_645	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_645	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_645	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_645	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_645	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_645	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_645	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_645	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_645	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_645	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_645	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_645	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_645	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_645	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_645	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_645	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_645	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_645	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_645	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_645	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_645	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_645	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_645	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_645	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_645	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_645	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_645	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_645	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_645	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_645	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_645	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_645	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_645	O=C(NCCCN(C)C)OCCC.Cl	C25606411
PUBCHEM_645	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_645	O=P(SC(C)CC)(N1CCSC1=O)OCC	C98886443
PUBCHEM_645	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_645	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_645	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_645	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_645	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_645	O=C1CCCCCN1	C105602
PUBCHEM_645	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_645	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_645	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_645	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_645	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_645	O=C1N(CCC1)C	C872504
PUBCHEM_645	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_645	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_645	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_645	O=C1N(C=C)CCC1	C88120
PUBCHEM_645	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_645	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_645	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_645	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_645	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_645	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_645	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_645	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_645	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_645	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_645	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_645	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_645	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_645	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_645	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_645	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_645	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_645	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_645	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_645	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_645	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_645	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_645	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_645	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_645	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_645	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_645	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_645	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_645	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_645	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_645	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_645	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_645	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_645	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_645	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_645	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_645	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_645	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_645	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_645	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_645	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_645	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_645	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_645	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_645	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_645	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_645	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_645	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_645	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_645	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_645	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_645	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_645	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_645	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_645	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_645	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_645	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_645	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_645	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_645	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_645	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_645	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_645	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_645	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_645	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_645	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_645	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_645	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_645	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_645	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_645	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_645	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_645	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_645	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_645	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_645	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_645	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_645	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_645	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_645	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_645	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_645	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_645	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_645	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_645	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_645	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_645	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_645	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_645	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_645	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_645	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_645	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_645	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_645	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_645	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_645	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_645	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_645	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_645	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_645	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_645	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_645	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_645	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_645	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_645	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_645	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_645	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_645	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_645	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_645	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_645	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_645	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_645	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_645	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_645	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_645	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_645	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_645	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_645	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_645	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_645	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_645	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_645	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_645	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_645	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_645	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_645	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_645	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_645	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_645	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_645	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_645	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_645	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_645	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_645	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_645	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_645	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_645	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_645	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_645	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_645	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_645	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_645	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_645	O=CN1CCCCC1	C2591868
PUBCHEM_645	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_645	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_645	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_645	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_645	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_645	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_645	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_645	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_645	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_645	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_645	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_646	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_646	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_646	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_646	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_646	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_646	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_646	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_646	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_646	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_646	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_646	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_646	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_646	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_646	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_646	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_646	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_646	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_646	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_646	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_646	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_646	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_646	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_646	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_646	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_646	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_646	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_646	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_646	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_646	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_646	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_646	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_646	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_646	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_646	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_646	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_646	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_646	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_647	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_647	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_647	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_647	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_647	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_647	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_647	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_647	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_647	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_647	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_647	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_647	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_647	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_647	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_647	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_647	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_647	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_647	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_647	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_647	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_647	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_647	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_647	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_647	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_647	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_647	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_647	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_647	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_647	O=C(NC)N(C)c1nnc(s1)C(C)(C)C	C34014181
PUBCHEM_647	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_647	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_647	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_647	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_647	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_647	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_647	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_647	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_647	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_647	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_647	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_647	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_647	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_647	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_647	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_647	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_647	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_647	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_647	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_647	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_647	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_647	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_647	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_647	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_647	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_647	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_647	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_647	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_647	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_647	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_647	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_647	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_647	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_647	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_647	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_647	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_647	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_647	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_647	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_647	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_647	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_647	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_647	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_647	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_647	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_647	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_647	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_647	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_647	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_647	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_647	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_647	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_647	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_647	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_647	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_647	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_647	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_647	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_647	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_647	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_647	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_647	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_647	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_647	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_647	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_647	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_647	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_647	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_647	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_647	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_647	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_647	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_647	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_648	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_648	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_648	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_648	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_648	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_648	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_648	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_648	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_648	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_648	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_648	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_648	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_648	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_648	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_648	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_648	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_648	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_648	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_648	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_648	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_649	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_649	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_649	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_649	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_649	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_649	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_649	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_649	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_649	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_649	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_649	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_649	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_649	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_649	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_649	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_650	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_650	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_650	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_650	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_650	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_650	O=c1[nH]c(=O)[nH]c(=O)[nH]1	C108805
PUBCHEM_650	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_650	O=c1n(c(=O)[nH]c(=O)n1Cl)Cl	C2782572
PUBCHEM_650	Cln1c(=O)n(Cl)c(=O)[n-]c1=O.[Na+]	C2893789
PUBCHEM_650	O=C1N(Cl)C([O-])NC(=O)N1Cl.[K+]	C2244215
PUBCHEM_650	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_650	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_650	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_650	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_650	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_650	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_650	O=c1n(Cl)c([O-])nc(=O)n1Cl.O.O.[Na+]	C51580860
PUBCHEM_650	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_650	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_650	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_650	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_650	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_650	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_650	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_650	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_650	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_650	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_650	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_650	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_650	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_650	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_650	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_650	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_650	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_650	O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl	C87901
PUBCHEM_650	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_650	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_650	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_650	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_650	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_650	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_650	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_650	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_650	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_650	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_650	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_650	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_650	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_650	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_650	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_650	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_650	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_650	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_650	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_650	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_650	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_650	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_650	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_650	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_650	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_650	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_650	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_650	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_650	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_650	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_650	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_650	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_650	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_650	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_650	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_650	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_650	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_650	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_650	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_650	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_650	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_650	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_651	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_651	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_651	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_651	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_651	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_651	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_651	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_651	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_651	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_651	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_651	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_651	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_651	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_651	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_651	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_651	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_651	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_651	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_651	COc1ccc(cc1)O	C150765
PUBCHEM_651	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_651	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_651	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_651	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_651	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_651	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_651	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_651	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_651	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_651	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_651	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_651	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_651	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_651	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_651	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_651	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_651	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_651	O=Cc1ccccc1O	C90028
PUBCHEM_651	Oc1cccc2ccccc12	C90153
PUBCHEM_651	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_651	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_651	Oc1ccc(Cl)cc1	C106489
PUBCHEM_651	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_651	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_651	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_651	Oc1ccc(CC)cc1	C123079
PUBCHEM_651	COc1ccc(OC)cc1	C150787
PUBCHEM_651	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_651	Oc1ccc(CCC)cc1	C645567
PUBCHEM_651	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_651	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_651	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_651	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_651	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_651	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_651	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_651	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_651	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_651	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_651	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_651	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_651	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_651	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_651	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_651	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_651	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_651	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_651	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_651	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_651	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_651	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_651	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_651	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_651	c1(c(CC)cccc1)O	C90006
PUBCHEM_651	c1c(O)cccc1CC	C620177
PUBCHEM_651	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_651	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_651	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_651	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_651	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_651	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_651	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_651	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_651	c1cccc(OC)c1O	C90051
PUBCHEM_651	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_651	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_651	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_651	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_651	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_651	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_651	Cc1cc(O)ccc1	C108394
PUBCHEM_651	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_651	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_651	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_651	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_651	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_651	Cc1c(C)cccc1O	C526750
PUBCHEM_651	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_651	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_651	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_651	c1c(CO)occ1	C98000
PUBCHEM_651	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_651	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_651	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_651	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_651	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_651	O=C(O)c1ccccc1O	C69727
PUBCHEM_651	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_651	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_651	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_651	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_651	Oc1ccc2ccccc2c1	C135193
PUBCHEM_651	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_651	OC(C)COc1ccccc1	C770354
PUBCHEM_651	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_651	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_651	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_651	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_651	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_651	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_651	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_651	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_651	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_651	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_651	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_651	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_651	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_651	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_651	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_651	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_651	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_651	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_651	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_651	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_651	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_651	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_651	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_651	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_651	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_651	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_651	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_651	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_651	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_651	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_651	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_651	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_651	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_651	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_651	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_651	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_651	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_651	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_651	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_651	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_651	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_651	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_651	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_651	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_651	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_651	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_651	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_651	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_651	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_651	O=C(c1ccccc1O)C	C118934
PUBCHEM_651	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_651	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_651	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_651	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_651	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_651	Oc1ccccc1CN(C)C	C120650
PUBCHEM_651	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_651	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_651	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_651	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_651	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_651	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_651	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_651	N#Cc1c(O)cccc1	C611201
PUBCHEM_651	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_651	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_651	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_651	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_651	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_651	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_651	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_651	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_651	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_651	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_651	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_651	Oc1c(OCC)cccc1	C94713
PUBCHEM_651	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_651	COc1ccc(CCC)cc1	C104450
PUBCHEM_651	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_651	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_651	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_651	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_651	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_651	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_651	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_651	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_651	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_651	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_651	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_651	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_651	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_651	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_651	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_651	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_651	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_651	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_651	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_651	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_651	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_651	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_651	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_651	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_651	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_651	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_651	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_651	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_651	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_651	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_651	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_651	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_651	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_651	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_651	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_651	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_651	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_651	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_651	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_651	c1ccccc1OCCO	C122996
PUBCHEM_651	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_651	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_651	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_651	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_651	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_651	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_651	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_651	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_651	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_651	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_651	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_651	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_651	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_651	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_651	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_651	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_651	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_651	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_651	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_651	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_651	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_651	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_651	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_651	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_651	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_651	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_651	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_651	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_651	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_651	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_651	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_651	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_651	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_651	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_651	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_651	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_651	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_651	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_651	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_651	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_651	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_651	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_651	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_651	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_651	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_651	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_651	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_651	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_651	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_651	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_651	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_651	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_651	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_651	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_651	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_651	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_651	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_651	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_651	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_651	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_651	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_651	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_651	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_651	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_651	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_651	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_651	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_651	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_651	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_651	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_651	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_651	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_651	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_651	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_651	c1coc2c1cccc2	C271896
PUBCHEM_651	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_651	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_651	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_651	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_651	Oc1c(cccc1)O	C120809
PUBCHEM_651	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_651	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_651	Nc1cc(ccc1OC)C	C120718
PUBCHEM_651	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_651	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_651	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_651	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_651	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_651	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_651	O=Cc1ccco1	C98011
PUBCHEM_651	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_651	Oc1ccc(cc1)O	C123319
PUBCHEM_651	Oc1cccc2cccnc12	C148243
PUBCHEM_651	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_651	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_651	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_651	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_651	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_651	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_651	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_651	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_651	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_651	Oc1ccccc1	C108952
PUBCHEM_651	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_651	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_651	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_651	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_651	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_651	Oc1cc(ccc1)O	C108463
PUBCHEM_651	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_651	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_651	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_651	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_651	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_651	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_651	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_651	Oc1ccccc1Cl	C95578
PUBCHEM_651	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_651	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_651	Oc1c(C)cccc1	C95487
PUBCHEM_651	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_651	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_651	Oc1ccc(C)cc1	C106445
PUBCHEM_651	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_651	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_651	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_651	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_651	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_651	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_651	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_651	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_651	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_651	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_651	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_651	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_651	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_651	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_651	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_651	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_651	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_651	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_651	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_651	Nc1c(OC)cccc1	C90040
PUBCHEM_651	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_651	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_651	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_651	Oc1c(cccc1C)C	C576261
PUBCHEM_651	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_651	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_651	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_651	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_651	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_651	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_651	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_651	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_651	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_651	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_651	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_651	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_651	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_651	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_651	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_651	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_651	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_651	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_651	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_651	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_651	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_651	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_651	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_651	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_651	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_651	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_651	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_651	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_651	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_651	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_651	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_651	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_651	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_651	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_651	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_651	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_651	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_651	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_651	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_651	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_651	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_651	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_651	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_651	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_651	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_651	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_651	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_651	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_651	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_651	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_651	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_651	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_651	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_651	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_651	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_651	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_651	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_651	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_651	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_651	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_651	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_651	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_651	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_651	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_651	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_651	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_651	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_651	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_651	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_651	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_651	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_651	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_651	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_651	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_651	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_651	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_651	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_651	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_651	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_651	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_651	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_651	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_651	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_651	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_651	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_651	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_651	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_651	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_651	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_651	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_651	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_651	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_651	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_651	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_651	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_651	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_651	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_651	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_651	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_651	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_651	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_651	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_651	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_651	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_651	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_651	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_651	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_651	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_651	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_651	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_651	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_651	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_651	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_651	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_651	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_651	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_651	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_651	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_651	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_651	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_651	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_651	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_651	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_651	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_651	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_651	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_651	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_651	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_651	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_651	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_651	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_651	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_651	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_651	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_651	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_651	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_651	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_651	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_651	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_651	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_651	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_651	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_651	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_651	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_651	Nc1ccc(OC)cc1	C104949
PUBCHEM_651	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_651	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_651	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_651	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_651	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_651	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_651	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_651	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_651	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_651	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_651	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_651	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_651	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_651	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_651	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_651	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_651	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_651	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_651	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_651	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_651	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_651	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_651	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_651	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_651	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_651	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_651	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_651	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_651	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_651	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_651	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_651	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_651	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_651	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_651	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_651	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_651	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_651	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_651	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_651	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_651	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_651	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_651	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_651	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_651	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_651	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_651	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_651	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_651	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_651	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_651	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_651	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_651	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_651	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_651	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_651	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_651	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_651	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_651	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_651	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_651	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_651	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_651	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_651	CC1COc2ccccc2N1	C32329207
PUBCHEM_651	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_651	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_651	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_651	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_651	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_651	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_651	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_651	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_651	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_651	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_651	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_651	CCCCCc1ccco1	C3777693
PUBCHEM_652	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_652	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_652	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_652	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_652	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_652	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_652	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_652	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_652	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_652	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_652	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_652	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_652	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_652	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_652	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_652	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_652	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_652	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_652	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_652	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_652	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_652	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_652	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_652	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_652	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_652	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_652	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_652	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_652	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_652	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_652	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_652	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_652	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_652	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_652	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_652	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_652	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_652	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_652	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_652	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_652	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_652	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_652	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_652	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_652	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_652	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_652	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_652	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_652	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_652	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_652	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_652	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_652	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_652	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_652	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_652	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_652	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_652	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_652	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_652	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_652	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_652	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_652	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_652	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_652	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_652	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_652	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_652	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_653	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_653	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_653	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_653	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_653	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_653	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_653	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_653	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_653	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_653	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_653	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_653	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_653	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_653	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_653	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_653	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_653	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_653	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_653	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_653	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_653	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_653	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_653	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_653	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_653	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_653	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_653	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_653	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_653	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_653	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_653	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_653	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_653	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_653	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_653	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_653	Oc1cc(ccc1)O	C108463
PUBCHEM_653	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_653	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_653	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_653	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_653	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_653	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_653	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_653	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_653	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_653	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_653	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_653	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_653	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_653	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_653	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_653	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_653	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_653	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_653	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_653	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_653	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_653	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_653	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_653	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_653	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_653	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_653	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_653	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_653	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_653	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_653	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_653	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_653	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_653	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_654	O=C1C(NC(=O)N1)NC(=O)N	C97596
PUBCHEM_654	Clc1nc(nc(n1)NC(C)C)NCC	C1912249
PUBCHEM_654	S=C(NCC)NCC	C105555
PUBCHEM_654	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_654	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_654	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_654	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_654	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_654	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_654	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_654	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_654	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_654	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_654	O=C1N(Br)C(=O)C(N1Cl)(C)C	C126067
PUBCHEM_654	O=C(NCO)N(CO)C1N(CO)C(=O)N(CO)C1=O	C78491028
PUBCHEM_654	n1c[nH]cc1	C288324
PUBCHEM_654	O=C1NC2NC(=O)NC2N1	C496468
PUBCHEM_654	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_654	CC(C)(C)Nc1nc(NC2CC2)nc(SC)n1	C28159980
PUBCHEM_654	CCN1CN(CC)CN(CC)C1	C7779273
PUBCHEM_654	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_654	O=C1N(Cl)C(=O)N(C1(C)C)Br	C16079882
PUBCHEM_654	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_654	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_654	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_654	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_654	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_654	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_654	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_654	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_654	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_654	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_654	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_654	Cl/C=C\C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	C51229788
PUBCHEM_654	Clc1nc(N)nc(NC(C)C)n1	C6190654
PUBCHEM_654	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_654	O=C1NC(=O)N(C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO)CO	C39236469
PUBCHEM_654	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_654	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_654	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_654	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_654	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_654	O=C(N)Nc1ccccc1	C64108
PUBCHEM_654	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_654	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_654	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_654	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_654	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_654	S=C1NCCN1	C96457
PUBCHEM_654	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_654	Clc1nc(nc(n1)NC(C)C)NC(C)C	C139402
PUBCHEM_654	Clc1nc(nc(n1)NCC)NCC	C122349
PUBCHEM_654	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_654	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_654	c1(nc(NC(C)C)nc(n1)OC)NC(C)C	C1610180
PUBCHEM_654	CSc1nc(NCC)nc(NC(C)C)n1	C834128
PUBCHEM_654	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_654	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_654	Clc1nc(NCC)nc(NC(C)(C)C#N)n1	C21725462
PUBCHEM_654	Nc1nc(N)nc(NC2CC2)n1	C66215278
PUBCHEM_654	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_654	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_654	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_654	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_654	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_654	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_654	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_654	CSc1nc(NC(C)C)nc(NC(C)C)n1	C7287196
PUBCHEM_654	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_654	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_654	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_654	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_654	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_654	O=C(NC(=O)NCC)/C(=N/OC)/C#N	C57966957
PUBCHEM_654	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_654	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_654	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_654	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_654	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_654	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_654	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_654	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_654	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_654	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_654	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_654	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_654	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_654	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_654	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_654	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_654	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_654	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_654	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_654	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_654	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_654	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_654	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_654	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_654	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_654	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_654	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_654	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_654	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_654	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_654	S=P(OCC)(OCC)Oc1nn(C(C)C)c(Cl)n1	C42509808
PUBCHEM_654	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_654	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_654	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_654	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_654	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_654	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_654	Clc1nc(NCC)nc(N)n1	C1007289
PUBCHEM_654	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_654	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_654	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_654	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_654	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_654	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_654	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_654	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_654	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_654	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_654	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_654	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_654	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_654	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_654	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_654	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_654	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_654	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_654	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_654	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_654	CC1(C)NC(=O)NC1=O	C77714
PUBCHEM_654	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_654	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_654	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_654	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_654	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_654	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_654	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_654	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_654	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_654	O=C1N(C(C(=O)N1Cl)(C)C)Cl	C118525
PUBCHEM_654	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_654	O=C(NCNC(=O)C=C)C=C	C110269
PUBCHEM_654	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_654	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_654	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_654	Clc1nc(NCC)nc(NC(C)(C)C)n1	C5915413
PUBCHEM_654	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_654	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_654	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_654	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_654	O=C1NC(=O)C(N1CO)(C)C	C116256
PUBCHEM_654	O=C1N(Br)C(C)(C)C(=O)N1Br	C77485
PUBCHEM_654	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_654	O=C(N)NCCC[Si](OCC)(OCC)OCC	C23779320
PUBCHEM_654	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_654	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_654	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_654	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_654	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_654	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_654	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_654	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_654	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_654	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_654	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_654	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_654	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_654	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_654	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_654	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_654	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_654	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_654	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_654	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_654	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_654	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_654	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_654	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_654	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_654	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_654	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_654	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_654	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_654	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_654	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_654	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_654	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_654	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_654	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_654	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_654	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_654	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_654	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_654	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_654	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_654	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_654	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_654	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_654	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_654	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_654	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_654	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_654	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_654	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_654	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_654	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_654	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_654	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_654	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_654	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_654	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_654	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_654	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_654	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_654	S=C(NCCCC)NCCCC	C109466
PUBCHEM_654	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_654	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_654	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_654	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_654	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_654	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_654	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_654	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_654	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_654	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_654	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_654	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_654	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_654	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_654	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_654	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_654	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_654	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_654	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_654	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_654	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_654	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_654	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_654	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_654	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_654	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_654	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_654	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_654	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_654	Nc1cccc(C)n1	C1824813
PUBCHEM_654	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_654	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_654	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_654	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_655	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_655	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_655	CC(=O)OCc1ccccc1	C140114
PUBCHEM_655	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_655	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_655	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_655	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_655	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_655	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_655	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_655	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_655	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_655	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_655	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_655	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_655	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_655	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_655	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_655	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_655	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_655	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_655	COc1ccc(cc1)O	C150765
PUBCHEM_655	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_655	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_655	OC(=O)c1cccnc1	C59676
PUBCHEM_655	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_655	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_655	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_655	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_655	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_655	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_655	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_655	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_655	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_655	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_655	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_655	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_655	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_655	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_655	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_655	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_655	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_655	O=Cc1ccccc1O	C90028
PUBCHEM_655	Oc1cccc2ccccc12	C90153
PUBCHEM_655	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_655	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_655	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_655	Oc1ccc(Cl)cc1	C106489
PUBCHEM_655	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_655	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_655	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_655	Oc1ccc(CC)cc1	C123079
PUBCHEM_655	COc1ccc(OC)cc1	C150787
PUBCHEM_655	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_655	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_655	Oc1ccc(CCC)cc1	C645567
PUBCHEM_655	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_655	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_655	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_655	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_655	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_655	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_655	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_655	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_655	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_655	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_655	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_655	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_655	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_655	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_655	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_655	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_655	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_655	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_655	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_655	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_655	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_655	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_655	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_655	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_655	c1(c(CC)cccc1)O	C90006
PUBCHEM_655	c1c(O)cccc1CC	C620177
PUBCHEM_655	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_655	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_655	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_655	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_655	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_655	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_655	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_655	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_655	c1cccc(OC)c1O	C90051
PUBCHEM_655	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_655	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_655	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_655	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_655	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_655	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_655	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_655	Cc1cc(O)ccc1	C108394
PUBCHEM_655	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_655	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_655	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_655	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_655	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_655	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_655	Cc1c(C)cccc1O	C526750
PUBCHEM_655	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_655	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_655	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_655	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_655	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_655	c1c(CO)occ1	C98000
PUBCHEM_655	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_655	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_655	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_655	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_655	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_655	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_655	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_655	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_655	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_655	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_655	OCCc1ccccc1	C60128
PUBCHEM_655	O=C(O)c1ccccc1O	C69727
PUBCHEM_655	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_655	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_655	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_655	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_655	Oc1ccc2ccccc2c1	C135193
PUBCHEM_655	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_655	OC(C)COc1ccccc1	C770354
PUBCHEM_655	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_655	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_655	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_655	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_655	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_655	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_655	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_655	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_655	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_655	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_655	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_655	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_655	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_655	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_655	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_655	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_655	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_655	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_655	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_655	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_655	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_655	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_655	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_655	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_655	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_655	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_655	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_655	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_655	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_655	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_655	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_655	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_655	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_655	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_655	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_655	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_655	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_655	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_655	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_655	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_655	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_655	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_655	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_655	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_655	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_655	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_655	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_655	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_655	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_655	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_655	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_655	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_655	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_655	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_655	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_655	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_655	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_655	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_655	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_655	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_655	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_655	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_655	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_655	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_655	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_655	O=C(c1ccccc1O)C	C118934
PUBCHEM_655	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_655	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_655	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_655	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_655	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_655	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_655	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_655	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_655	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_655	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_655	Oc1ccccc1CN(C)C	C120650
PUBCHEM_655	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_655	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_655	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_655	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_655	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_655	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_655	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_655	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_655	N#Cc1c(O)cccc1	C611201
PUBCHEM_655	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_655	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_655	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_655	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_655	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_655	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_655	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_655	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_655	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_655	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_655	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_655	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_655	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_655	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_655	Oc1c(OCC)cccc1	C94713
PUBCHEM_655	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_655	COc1ccc(CCC)cc1	C104450
PUBCHEM_655	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_655	OC(CO)c1ccccc1	C93561
PUBCHEM_655	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_655	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_655	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_655	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_655	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_655	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_655	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_655	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_655	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_655	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_655	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_655	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_655	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_655	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_655	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_655	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_655	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_655	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_655	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_655	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_655	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_655	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_655	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_655	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_655	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_655	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_655	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_655	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_655	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_655	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_655	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_655	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_655	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_655	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_655	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_655	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_655	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_655	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_655	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_655	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_655	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_655	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_655	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_655	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_655	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_655	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_655	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_655	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_655	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_655	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_655	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_655	c1ccccc1OCCO	C122996
PUBCHEM_655	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_655	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_655	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_655	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_655	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_655	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_655	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_655	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_655	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_655	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_655	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_655	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_655	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_655	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_655	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_655	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_655	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_655	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_655	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_655	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_655	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_655	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_655	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_655	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_655	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_655	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_655	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_655	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_655	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_655	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_655	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_655	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_655	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_655	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_655	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_655	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_655	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_655	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_655	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_655	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_655	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_655	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_655	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_655	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_655	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_655	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_655	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_655	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_655	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_655	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_655	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_655	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_655	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_655	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_655	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_655	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_655	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_655	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_655	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_655	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_655	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_655	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_655	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_655	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_655	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_655	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_655	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_655	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_655	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_655	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_655	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_655	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_655	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_655	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_655	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_655	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_655	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_655	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_655	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_655	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_655	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_655	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_655	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_655	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_655	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_655	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_655	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_655	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_655	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_655	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_655	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_655	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_655	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_655	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_655	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_655	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_655	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_655	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_655	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_655	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_655	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_655	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_655	c1coc2c1cccc2	C271896
PUBCHEM_655	OC(=O)c1ccccc1	C65850
PUBCHEM_655	OCc1ccccc1	C100516
PUBCHEM_655	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_655	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_655	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_655	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_655	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_655	Oc1c(cccc1)O	C120809
PUBCHEM_655	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_655	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_655	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_655	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_655	Nc1cc(ccc1OC)C	C120718
PUBCHEM_655	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_655	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_655	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_655	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_655	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_655	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_655	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_655	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_655	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_655	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_655	O=Cc1ccco1	C98011
PUBCHEM_655	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_655	Oc1ccc(cc1)O	C123319
PUBCHEM_655	Oc1cccc2cccnc12	C148243
PUBCHEM_655	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_655	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_655	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_655	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_655	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_655	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_655	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_655	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_655	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_655	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_655	Oc1ccccc1	C108952
PUBCHEM_655	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_655	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_655	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_655	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_655	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_655	Oc1cc(ccc1)O	C108463
PUBCHEM_655	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_655	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_655	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_655	C1C(c2ccccc2)O1	C96093
PUBCHEM_655	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_655	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_655	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_655	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_655	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_655	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_655	Oc1ccccc1Cl	C95578
PUBCHEM_655	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_655	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_655	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_655	Oc1c(C)cccc1	C95487
PUBCHEM_655	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_655	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_655	Oc1ccc(C)cc1	C106445
PUBCHEM_655	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_655	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_655	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_655	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_655	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_655	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_655	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_655	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_655	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_655	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_655	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_655	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_655	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_655	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_655	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_655	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_655	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_655	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_655	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_655	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_655	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_655	Nc1c(OC)cccc1	C90040
PUBCHEM_655	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_655	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_655	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_655	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_655	Oc1c(cccc1C)C	C576261
PUBCHEM_655	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_655	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_655	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_655	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_655	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_655	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_655	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_655	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_655	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_655	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_655	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_655	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_655	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_655	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_655	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_655	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_655	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_655	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_655	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_655	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_655	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_655	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_655	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_655	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_655	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_655	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_655	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_655	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_655	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_655	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_655	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_655	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_655	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_655	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_655	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_655	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_655	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_655	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_655	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_655	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_655	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_655	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_655	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_655	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_655	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_655	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_655	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_655	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_655	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_655	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_655	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_655	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_655	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_655	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_655	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_655	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_655	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_655	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_655	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_655	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_655	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_655	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_655	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_655	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_655	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_655	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_655	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_655	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_655	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_655	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_655	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_655	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_655	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_655	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_655	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_655	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_655	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_655	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_655	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_655	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_655	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_655	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_655	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_655	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_655	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_655	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_655	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_655	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_655	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_655	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_655	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_655	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_655	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_655	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_655	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_655	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_655	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_655	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_655	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_655	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_655	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_655	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_655	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_655	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_655	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_655	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_655	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_655	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_655	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_655	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_655	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_655	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_655	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_655	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_655	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_655	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_655	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_655	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_655	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_655	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_655	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_655	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_655	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_655	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_655	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_655	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_655	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_655	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_655	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_655	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_655	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_655	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_655	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_655	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_655	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_655	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_655	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_655	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_655	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_655	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_655	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_655	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_655	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_655	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_655	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_655	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_655	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_655	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_655	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_655	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_655	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_655	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_655	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_655	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_655	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_655	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_655	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_655	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_655	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_655	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_655	O=C(OCC)c1ccccc1	C93890
PUBCHEM_655	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_655	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_655	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_655	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_655	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_655	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_655	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_655	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_655	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_655	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_655	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_655	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_655	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_655	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_655	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_655	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_655	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_655	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_655	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_655	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_655	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_655	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_655	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_655	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_655	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_655	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_655	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_655	Nc1ccc(OC)cc1	C104949
PUBCHEM_655	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_655	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_655	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_655	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_655	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_655	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_655	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_655	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_655	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_655	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_655	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_655	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_655	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_655	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_655	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_655	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_655	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_655	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_655	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_655	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_655	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_655	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_655	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_655	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_655	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_655	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_655	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_655	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_655	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_655	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_655	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_655	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_655	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_655	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_655	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_655	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_655	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_655	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_655	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_655	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_655	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_655	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_655	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_655	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_655	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_655	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_655	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_655	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_655	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_655	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_655	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_655	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_655	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_655	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_655	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_655	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_655	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_655	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_655	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_655	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_655	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_655	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_655	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_655	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_655	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_655	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_655	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_655	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_655	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_655	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_655	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_655	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_655	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_655	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_655	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_655	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_655	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_655	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_655	CC1COc2ccccc2N1	C32329207
PUBCHEM_655	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_655	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_655	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_655	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_655	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_655	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_655	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_655	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_655	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_655	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_655	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_655	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_655	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_655	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_655	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_655	CCCCCc1ccco1	C3777693
PUBCHEM_656	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_656	CC(CNCC(C)O)O	C110974
PUBCHEM_656	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_656	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_656	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_656	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_656	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_656	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_656	c1cccc2[nH]ccc12	C120729
PUBCHEM_656	NC(=O)c1cccnc1	C98920
PUBCHEM_656	OC(=O)c1cccnc1	C59676
PUBCHEM_656	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_656	O=NN1CCCC1	C930552
PUBCHEM_656	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_656	O=C(N(CCCC)CC)SCCC	C1114712
PUBCHEM_656	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_656	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_656	OCCN1CCNCC1	C103764
PUBCHEM_656	CCNCCO	C110736
PUBCHEM_656	NCCN1CCNCC1	C140318
PUBCHEM_656	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_656	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_656	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_656	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_656	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_656	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_656	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_656	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_656	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_656	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_656	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_656	N(CCN)CCN	C111400
PUBCHEM_656	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_656	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_656	C1COCCN1	C110918
PUBCHEM_656	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_656	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_656	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_656	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_656	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_656	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_656	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_656	N1CCCCCC1	C111499
PUBCHEM_656	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_656	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_656	O=C1NCCC1	C616455
PUBCHEM_656	NCCNCCC[Si](OC)(OC)OC	C1760243
PUBCHEM_656	C=CC[N+](C)(C)CC=C.[Cl-]	C7398698
PUBCHEM_656	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_656	O=S(=O)(CC(NC(=O)C=C)(C)C)O	C15214898
PUBCHEM_656	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_656	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_656	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_656	O=C(C(Cl)Cl)N(CC=C)CC=C	C37764253
PUBCHEM_656	CN1CCOCC1	C109024
PUBCHEM_656	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_656	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_656	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_656	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_656	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_656	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_656	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_656	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_656	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	C26644462
PUBCHEM_656	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_656	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_656	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_656	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_656	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_656	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_656	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_656	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_656	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_656	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_656	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_656	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_656	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_656	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_656	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_656	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_656	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_656	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_656	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_656	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_656	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_656	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_656	NCCCN1CCOCC1	C123002
PUBCHEM_656	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_656	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_656	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_656	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_656	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_656	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_656	OCCN(CC)CCO	C139877
PUBCHEM_656	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_656	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_656	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_656	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_656	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_656	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_656	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_656	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_656	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_656	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_656	CCCC[N+](CCCC)(C)CCCC.[Cl-]	C56375792
PUBCHEM_656	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_656	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_656	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_656	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_656	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_656	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_656	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_656	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_656	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_656	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_656	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_656	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_656	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_656	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_656	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_656	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_656	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_656	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_656	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_656	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_656	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_656	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_656	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_656	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_656	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_656	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_656	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_656	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_656	CC(C)CN(CC(C)C)C(=O)SCC	C2008415
PUBCHEM_656	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_656	CCCN(CCC)C(=O)SCC	C759944
PUBCHEM_656	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_656	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_656	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_656	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_656	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_656	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_656	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_656	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_656	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_656	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_656	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_656	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_656	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_656	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_656	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_656	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_656	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_656	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_656	CC(C)N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C	C2303175
PUBCHEM_656	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_656	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_656	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_656	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_656	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_656	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_656	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_656	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_656	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_656	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_656	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_656	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_656	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_656	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_656	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_656	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_656	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_656	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_656	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_656	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_656	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_656	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_656	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_656	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_656	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_656	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_656	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_656	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_656	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_656	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_656	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_656	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_656	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_656	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_656	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_656	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_656	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_656	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_656	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_656	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_656	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_656	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_656	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_656	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_656	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_656	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_656	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_656	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_656	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_656	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_656	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_656	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_656	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_656	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_656	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_656	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_656	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_656	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_656	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_656	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_656	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_656	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_656	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_656	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_656	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_656	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_656	O=C1CCCCCN1	C105602
PUBCHEM_656	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_656	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_656	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_656	Oc1cccc2cccnc12	C148243
PUBCHEM_656	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_656	O=C(c1ccncc1)NN	C54853
PUBCHEM_656	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_656	O=C1N(CCC1)C	C872504
PUBCHEM_656	Cc1cc2cccnc2cc1	C91623
PUBCHEM_656	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_656	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_656	O=NN(CCCC)CCCC	C924163
PUBCHEM_656	CCN(CC)N=O	C55185
PUBCHEM_656	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_656	O=NN(CCC)CCC	C621647
PUBCHEM_656	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_656	C1CNCCN1	C110850
PUBCHEM_656	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_656	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_656	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_656	S=C(N(CC)CC)SSC(=S)N(CC)CC	C97778
PUBCHEM_656	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_656	OCCN(CCO)CCO	C102716
PUBCHEM_656	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_656	O=C1N(C=C)CCC1	C88120
PUBCHEM_656	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_656	n1cccc2c1cccc2	C91225
PUBCHEM_656	CCN(CC)c1ccccc1	C91667
PUBCHEM_656	CCN(CCO)CC	C100378
PUBCHEM_656	CCNc1cc(C)ccc1	C102272
PUBCHEM_656	OCCNCCO	C111422
PUBCHEM_656	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_656	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_656	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_656	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_656	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_656	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_656	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_656	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_656	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_656	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_656	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_656	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_656	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_656	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_656	O=C(SCCC)N(CCC)CCC	C1929777
PUBCHEM_656	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_656	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_656	O=P1(N(CCCl)CCCl)OCCCN1.O	C6055192
PUBCHEM_656	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_656	N(c1ccccc1)CC	C103695
PUBCHEM_656	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_656	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_656	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_656	N(CCCC)(CCCC)CCCC	C102829
PUBCHEM_656	N#Cc1cnccc1	C100549
PUBCHEM_656	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_656	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_656	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_656	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_656	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_656	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_656	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_656	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_656	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_656	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_656	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_656	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_656	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_656	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_656	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_656	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_656	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_656	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_656	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_656	CN(C)CCCN(C)CCCN(C)C	C3855321
PUBCHEM_656	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_656	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_656	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_656	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_656	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_656	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_656	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_656	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_656	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_656	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_656	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_656	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_656	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_656	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_656	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_656	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_656	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_656	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_656	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_656	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_656	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_656	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_656	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_656	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_656	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_656	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_656	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_656	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_656	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_656	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_656	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_656	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_656	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_656	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_656	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_656	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_656	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_656	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_656	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_656	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_656	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_656	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_656	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_656	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_656	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_656	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_656	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_656	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_656	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_656	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_656	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_656	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_656	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_656	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_656	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_656	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_656	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_656	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_656	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_656	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_656	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_656	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_656	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_656	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_656	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_656	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_656	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_656	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_656	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_656	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_656	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_656	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_656	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_656	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_656	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_656	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_656	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_656	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_656	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_656	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_656	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_656	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_656	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_656	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_656	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_656	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_656	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_656	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_656	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_656	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_656	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_656	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_656	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_656	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_656	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_656	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_656	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_656	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_656	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_656	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_656	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_656	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_656	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_656	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_656	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_656	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_656	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_656	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_656	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_656	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_656	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_656	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_656	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_656	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_656	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_656	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_656	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_656	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_656	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_656	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_656	CCN(CC)CC	C121448
PUBCHEM_656	n1cc(C)ccc1	C108996
PUBCHEM_656	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_656	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_656	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_656	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_656	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_656	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_656	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_656	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_656	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_656	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_656	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_656	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_656	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_656	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_656	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_656	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_656	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_656	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_656	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_656	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_656	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_656	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_656	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_656	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_656	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_656	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_656	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_656	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_656	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_656	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_656	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_656	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_656	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_656	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_656	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_656	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_656	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_656	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_656	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_656	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_656	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_656	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_656	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_656	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_656	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_656	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_656	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_656	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_656	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_656	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_656	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_656	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_656	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_656	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_656	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_656	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_656	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_656	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_656	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_656	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_656	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_656	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_656	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_656	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_656	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_656	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_656	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_656	O=CN1CCCCC1	C2591868
PUBCHEM_656	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_656	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_656	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_656	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_656	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_656	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_656	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_656	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_656	Nc1cccc(C)n1	C1824813
PUBCHEM_656	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_656	CC1COc2ccccc2N1	C32329207
PUBCHEM_656	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_656	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_656	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_656	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_656	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_656	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_656	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_656	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_656	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_656	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_656	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_656	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_656	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_657	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_657	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_657	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_657	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_657	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_657	c1cccc2[nH]ccc12	C120729
PUBCHEM_657	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_657	NC(=O)c1cccnc1	C98920
PUBCHEM_657	OC(=O)c1cccnc1	C59676
PUBCHEM_657	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_657	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_657	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_657	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_657	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_657	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_657	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_657	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_657	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_657	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_657	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_657	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_657	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_657	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_657	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_657	c1ccc2ncsc2c1	C95169
PUBCHEM_657	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_657	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_657	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_657	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_657	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_657	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_657	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_657	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_657	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_657	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_657	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_657	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_657	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_657	OCn1nc(C)cc1C	C85264331
PUBCHEM_657	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_657	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_657	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_657	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_657	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_657	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_657	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_657	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_657	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_657	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_657	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_657	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_657	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_657	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_657	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_657	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_657	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_657	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_657	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_657	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_657	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_657	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_657	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_657	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_657	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_657	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_657	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_657	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_657	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_657	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_657	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_657	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_657	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_657	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_657	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_657	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_657	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_657	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_657	O=C(N)Nc1ccccc1	C64108
PUBCHEM_657	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_657	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_657	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_657	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_657	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_657	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_657	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_657	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_657	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_657	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_657	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_657	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_657	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_657	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_657	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_657	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_657	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_657	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_657	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_657	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_657	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_657	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_657	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_657	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_657	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_657	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_657	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_657	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_657	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_657	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_657	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_657	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_657	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_657	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_657	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_657	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_657	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_657	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_657	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_657	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_657	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_657	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_657	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_657	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_657	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_657	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_657	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_657	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_657	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_657	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_657	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_657	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_657	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_657	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_657	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_657	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_657	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_657	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_657	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_657	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_657	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_657	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_657	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_657	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_657	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_657	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_657	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_657	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_657	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_657	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_657	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_657	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_657	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_657	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_657	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_657	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_657	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_657	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_657	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_657	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_657	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_657	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_657	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_657	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_657	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_657	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_657	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_657	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_657	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_657	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_657	Clc1sc(cn1)CN/C(=N/[N+](=O)[O-])/NC	C210880925
PUBCHEM_657	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_657	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_657	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_657	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_657	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_657	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_657	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_657	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_657	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_657	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_657	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_657	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_657	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_657	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_657	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_657	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_657	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_657	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_657	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_657	Clc1sc(cn1)CN1COCN(C)C1=N[N+](=O)[O-]	C153719234
PUBCHEM_657	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_657	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_657	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_657	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_657	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_657	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_657	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_657	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_657	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_657	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_657	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_657	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_657	CN(c1ccccc1)C	C121697
PUBCHEM_657	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_657	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_657	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_657	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_657	Oc1cccc2cccnc12	C148243
PUBCHEM_657	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_657	O=C(c1ccncc1)NN	C54853
PUBCHEM_657	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_657	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_657	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_657	Cc1cc2cccnc2cc1	C91623
PUBCHEM_657	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_657	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_657	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_657	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_657	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_657	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_657	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_657	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_657	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_657	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_657	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_657	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_657	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_657	n1cccc2c1cccc2	C91225
PUBCHEM_657	CCN(CC)c1ccccc1	C91667
PUBCHEM_657	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_657	CCNc1cc(C)ccc1	C102272
PUBCHEM_657	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_657	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_657	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_657	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_657	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_657	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_657	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_657	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_657	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_657	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_657	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_657	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_657	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_657	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_657	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_657	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_657	N(c1ccccc1)CC	C103695
PUBCHEM_657	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_657	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_657	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_657	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_657	N#Cc1cnccc1	C100549
PUBCHEM_657	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_657	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_657	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_657	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_657	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_657	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_657	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_657	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_657	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_657	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_657	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_657	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_657	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_657	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_657	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_657	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_657	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_657	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_657	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_657	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_657	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_657	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_657	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_657	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_657	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_657	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_657	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_657	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_657	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_657	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_657	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_657	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_657	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_657	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_657	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_657	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_657	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_657	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_657	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_657	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_657	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_657	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_657	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_657	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_657	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_657	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_657	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_657	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_657	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_657	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_657	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_657	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_657	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_657	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_657	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_657	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_657	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_657	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_657	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_657	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_657	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_657	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_657	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_657	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_657	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_657	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_657	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_657	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_657	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_657	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_657	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_657	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_657	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_657	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_657	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_657	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_657	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_657	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_657	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_657	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_657	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_657	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_657	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_657	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_657	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_657	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_657	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_657	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_657	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_657	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_657	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_657	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_657	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_657	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_657	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_657	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_657	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_657	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_657	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_657	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_657	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_657	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_657	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_657	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_657	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_657	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_657	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_657	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_657	n1cc(C)ccc1	C108996
PUBCHEM_657	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_657	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_657	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_657	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_657	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_657	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_657	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_657	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_657	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_657	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_657	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_657	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_657	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_657	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_657	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_657	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_657	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_657	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_657	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_657	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_657	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_657	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_657	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_657	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_657	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_657	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_657	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_657	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_657	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_657	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_657	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_657	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_657	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_657	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_657	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_657	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_657	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_657	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_657	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_657	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_657	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_657	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_657	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_657	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_657	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_657	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_657	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_657	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_657	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_657	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_657	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_657	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_657	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_657	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_657	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_657	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_657	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_657	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_657	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_657	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_657	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_657	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_657	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_657	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_657	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_657	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_657	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_657	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_657	Nc1cccc(C)n1	C1824813
PUBCHEM_657	CC1COc2ccccc2N1	C32329207
PUBCHEM_657	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_657	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_657	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_657	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_657	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_657	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_657	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_658	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_658	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_658	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_658	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_658	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_658	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_658	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_658	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_658	OCCSCCCCCCCC	C3547339
PUBCHEM_658	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_658	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_658	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_658	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_658	CCOP(=S)(OCC)SCCSCC	C298044
PUBCHEM_658	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_658	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_658	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_658	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_658	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_658	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_658	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_658	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_658	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_658	O=S1(=O)CCS(=O)(=O)C(=C1C)C	C55290647
PUBCHEM_658	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_658	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_658	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_658	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_658	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_658	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_658	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_658	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_658	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_658	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_658	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_658	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_658	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_658	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_658	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_658	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_658	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_658	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_658	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_658	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_658	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_658	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_658	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_658	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_658	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_658	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_658	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_658	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_658	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_658	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_658	O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1	C3737415
PUBCHEM_658	O=C(O)CCSCCC(=O)O	C111171
PUBCHEM_658	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_658	c1(SSc2cccs2)cccs1	C6911519
PUBCHEM_658	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_658	OC1(C)SCC(O)(C)SC1	C55704784
PUBCHEM_658	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_659	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_659	CC(CNCC(C)O)O	C110974
PUBCHEM_659	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_659	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_659	CN(CCO)C	C108010
PUBCHEM_659	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_659	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_659	OCCN1CCNCC1	C103764
PUBCHEM_659	CCNCCO	C110736
PUBCHEM_659	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_659	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_659	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_659	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_659	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_659	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_659	C1COCCN1	C110918
PUBCHEM_659	N1(SSN2CCOCC2)CCOCC1	C103344
PUBCHEM_659	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_659	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]	C15708415
PUBCHEM_659	CN1CCOCC1	C109024
PUBCHEM_659	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_659	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_659	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_659	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_659	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_659	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_659	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_659	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_659	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_659	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_659	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_659	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_659	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_659	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_659	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_659	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_659	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_659	NCCCN1CCOCC1	C123002
PUBCHEM_659	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_659	OCCN(CC)CCO	C139877
PUBCHEM_659	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_659	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_659	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_659	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_659	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_659	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_659	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_659	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_659	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_659	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_659	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_659	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_659	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_659	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_659	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_659	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_659	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_659	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_659	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_659	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_659	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_659	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_659	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_659	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_659	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_659	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_659	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_659	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_659	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_659	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_659	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_659	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_659	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_659	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_659	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_659	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_659	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_659	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_659	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_659	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_659	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_659	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_659	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_659	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_659	Oc1cccc2cccnc12	C148243
PUBCHEM_659	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_659	OC(=O)CN(CC(=O)O)CC(=O)O	C139139
PUBCHEM_659	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_659	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_659	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_659	OCCN(CCO)CCO	C102716
PUBCHEM_659	CCN(CCO)CC	C100378
PUBCHEM_659	OCCNCCO	C111422
PUBCHEM_659	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_659	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_659	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_659	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_659	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_659	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_659	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_659	C(C1CO1)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O	C2451629
PUBCHEM_659	OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C	C102603
PUBCHEM_659	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_659	CCC12N(COC1)COC2	C7747355
PUBCHEM_659	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_659	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_659	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_659	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_659	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_659	C[N+](CC1CO1)(C)C.[Cl-]	C3033770
PUBCHEM_659	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_659	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_659	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_659	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_659	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_659	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_659	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_659	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_659	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_659	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_659	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_659	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_659	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_659	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_659	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_659	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_659	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_659	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_659	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_659	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_659	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_659	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_659	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_659	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_659	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_659	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_659	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_659	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_659	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_659	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_659	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_659	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_659	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_659	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_659	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_659	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_659	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_659	OCCN(CCO)CCO[Ti](OC(C)C)(OC(C)C)OCCN(CCO)CCO	C36673162
PUBCHEM_659	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_659	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_659	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_659	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_659	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_659	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_659	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_659	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_659	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_659	CC(CN(CC(C)O)CC(C)O)O	C122203
PUBCHEM_659	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_659	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_659	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_659	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_659	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_659	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_659	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_659	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_659	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_659	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_659	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_659	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_659	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_659	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_659	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_659	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_659	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_659	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_659	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_659	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_659	CC1COc2ccccc2N1	C32329207
PUBCHEM_659	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_659	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_659	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_659	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_659	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_659	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_659	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_660	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_660	Nc1ccccc1.Cl	C142041
PUBCHEM_660	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_660	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_660	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_660	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_660	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_660	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_660	CC(=O)OCc1ccccc1	C140114
PUBCHEM_660	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_660	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_660	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_660	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_660	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_660	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_660	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_660	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_660	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_660	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_660	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_660	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_660	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_660	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_660	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_660	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_660	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_660	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_660	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_660	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_660	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_660	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_660	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_660	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_660	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_660	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_660	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_660	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_660	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_660	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_660	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_660	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_660	c1cccc2[nH]ccc12	C120729
PUBCHEM_660	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_660	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_660	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_660	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_660	COc1ccc(cc1)O	C150765
PUBCHEM_660	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_660	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_660	C=Cc1ccc(cc1)C	C622979
PUBCHEM_660	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_660	NC(=O)c1cccnc1	C98920
PUBCHEM_660	OC(=O)c1cccnc1	C59676
PUBCHEM_660	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_660	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_660	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_660	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_660	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_660	Nc1ccc(cc1)N	C106503
PUBCHEM_660	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_660	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_660	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_660	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_660	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_660	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_660	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_660	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_660	Nc1ccccc1C.Cl	C636215
PUBCHEM_660	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_660	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_660	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_660	O=CCc1ccccc1	C122781
PUBCHEM_660	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_660	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_660	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_660	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_660	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_660	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_660	O=Cc1ccccc1O	C90028
PUBCHEM_660	Oc1cccc2ccccc12	C90153
PUBCHEM_660	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_660	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_660	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_660	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_660	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_660	Oc1ccc(Cl)cc1	C106489
PUBCHEM_660	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_660	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_660	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_660	Oc1ccc(CC)cc1	C123079
PUBCHEM_660	COc1ccc(OC)cc1	C150787
PUBCHEM_660	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_660	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_660	Oc1ccc(CCC)cc1	C645567
PUBCHEM_660	CC/C=C\CCO	C928961
PUBCHEM_660	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_660	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_660	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_660	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_660	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_660	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_660	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_660	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_660	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_660	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_660	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_660	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_660	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_660	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_660	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_660	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_660	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_660	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_660	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_660	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_660	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_660	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_660	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_660	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_660	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_660	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_660	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_660	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_660	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_660	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_660	c1(c(CC)cccc1)O	C90006
PUBCHEM_660	c1c(O)cccc1CC	C620177
PUBCHEM_660	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_660	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_660	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_660	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_660	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_660	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_660	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_660	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_660	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_660	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_660	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_660	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_660	c1cccc(OC)c1O	C90051
PUBCHEM_660	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_660	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_660	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_660	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_660	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_660	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_660	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_660	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_660	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_660	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_660	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_660	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_660	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_660	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_660	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_660	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_660	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_660	Cc1cc(O)ccc1	C108394
PUBCHEM_660	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_660	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_660	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_660	c1ccc2ncsc2c1	C95169
PUBCHEM_660	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_660	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_660	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_660	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_660	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_660	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_660	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_660	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_660	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_660	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_660	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_660	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_660	Cc1c(C)cccc1O	C526750
PUBCHEM_660	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_660	C=Cc1ccccc1C=C	C1321740
PUBCHEM_660	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_660	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_660	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_660	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_660	CCC(=CCCC)C=O	C645625
PUBCHEM_660	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_660	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_660	c1c(CO)occ1	C98000
PUBCHEM_660	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_660	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_660	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_660	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_660	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_660	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_660	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_660	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_660	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_660	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_660	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_660	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_660	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_660	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_660	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_660	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_660	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_660	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_660	c12ccccc1CCCC2	C119642
PUBCHEM_660	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_660	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_660	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_660	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_660	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_660	Cc1cccc(C)c1	C108383
PUBCHEM_660	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_660	OCCc1ccccc1	C60128
PUBCHEM_660	O=C(O)c1ccccc1O	C69727
PUBCHEM_660	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_660	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_660	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_660	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_660	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_660	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_660	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_660	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_660	Sc1ccccc1	C108985
PUBCHEM_660	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_660	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_660	Oc1ccc2ccccc2c1	C135193
PUBCHEM_660	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_660	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_660	Brc1ccc(F)cc1	C460004
PUBCHEM_660	C1=CC=CC1	C542927
PUBCHEM_660	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_660	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_660	ClP(c1ccccc1)Cl	C644973
PUBCHEM_660	OC(C)COc1ccccc1	C770354
PUBCHEM_660	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_660	Nc1cccc(C)c1C	C1300738
PUBCHEM_660	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_660	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_660	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_660	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_660	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_660	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_660	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_660	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_660	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_660	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_660	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_660	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_660	Nc1c(C)cccc1CC	C24549062
PUBCHEM_660	Clc1cccc(C)c1	C25168052
PUBCHEM_660	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_660	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_660	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_660	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_660	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_660	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_660	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_660	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_660	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_660	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_660	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_660	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_660	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_660	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_660	O=C(C=C(C)C)C	C141797
PUBCHEM_660	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_660	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_660	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_660	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_660	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_660	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_660	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_660	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_660	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_660	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_660	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_660	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_660	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_660	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_660	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_660	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_660	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_660	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_660	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_660	OCn1nc(C)cc1C	C85264331
PUBCHEM_660	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_660	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_660	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_660	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_660	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_660	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_660	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_660	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_660	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_660	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_660	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_660	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_660	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_660	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_660	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_660	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_660	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_660	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_660	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_660	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_660	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_660	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_660	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_660	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_660	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_660	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_660	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_660	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_660	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_660	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_660	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_660	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_660	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_660	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_660	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_660	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_660	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_660	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_660	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_660	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_660	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_660	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_660	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_660	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_660	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_660	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_660	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_660	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_660	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_660	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_660	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_660	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_660	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_660	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_660	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_660	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_660	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_660	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_660	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_660	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_660	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_660	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_660	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_660	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_660	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_660	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_660	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_660	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_660	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_660	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_660	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_660	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_660	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_660	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_660	O=C(c1ccccc1O)C	C118934
PUBCHEM_660	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_660	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_660	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_660	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_660	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_660	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_660	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_660	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_660	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_660	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_660	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_660	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_660	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_660	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_660	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_660	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_660	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_660	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_660	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_660	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_660	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_660	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_660	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_660	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_660	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_660	Oc1ccccc1CN(C)C	C120650
PUBCHEM_660	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_660	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_660	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_660	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_660	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_660	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_660	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_660	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_660	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_660	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_660	O=C/C=C/CCC	C6728263
PUBCHEM_660	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_660	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_660	OCC=Cc1ccccc1	C104541
PUBCHEM_660	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_660	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_660	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_660	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_660	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_660	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_660	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_660	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_660	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_660	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_660	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_660	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_660	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_660	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_660	N#Cc1c(O)cccc1	C611201
PUBCHEM_660	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_660	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_660	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_660	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_660	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_660	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_660	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_660	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_660	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_660	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_660	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_660	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_660	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_660	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_660	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_660	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_660	c12ccccc1CC=C2	C95136
PUBCHEM_660	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_660	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_660	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_660	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_660	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_660	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_660	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_660	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_660	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_660	Oc1c(OCC)cccc1	C94713
PUBCHEM_660	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_660	COc1ccc(CCC)cc1	C104450
PUBCHEM_660	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_660	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_660	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_660	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_660	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_660	OC(CO)c1ccccc1	C93561
PUBCHEM_660	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_660	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_660	O=C(N)Nc1ccccc1	C64108
PUBCHEM_660	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_660	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_660	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_660	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_660	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_660	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_660	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_660	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_660	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_660	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_660	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_660	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_660	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_660	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_660	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_660	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_660	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_660	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_660	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_660	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_660	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_660	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_660	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_660	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_660	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_660	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_660	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_660	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_660	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_660	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_660	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_660	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_660	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_660	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_660	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_660	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_660	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_660	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_660	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_660	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_660	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_660	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_660	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_660	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_660	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_660	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_660	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_660	Sc1ccc(C)cc1	C106456
PUBCHEM_660	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_660	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_660	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_660	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_660	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_660	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_660	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_660	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_660	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_660	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_660	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_660	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_660	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_660	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_660	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_660	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_660	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_660	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_660	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_660	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_660	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_660	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_660	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_660	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_660	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_660	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_660	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_660	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_660	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_660	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_660	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_660	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_660	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_660	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_660	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_660	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_660	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_660	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_660	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_660	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_660	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_660	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_660	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_660	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_660	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_660	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_660	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_660	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_660	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_660	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_660	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_660	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_660	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_660	c1ccccc1OCCO	C122996
PUBCHEM_660	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_660	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_660	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_660	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_660	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_660	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_660	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_660	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_660	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_660	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_660	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_660	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_660	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_660	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_660	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_660	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_660	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_660	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_660	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_660	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_660	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_660	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_660	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_660	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_660	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_660	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_660	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_660	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_660	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_660	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_660	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_660	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_660	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_660	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_660	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_660	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_660	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_660	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_660	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_660	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_660	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_660	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_660	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_660	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_660	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_660	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_660	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_660	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_660	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_660	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_660	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_660	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_660	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_660	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_660	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_660	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_660	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_660	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_660	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_660	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_660	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_660	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_660	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_660	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_660	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_660	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_660	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_660	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_660	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_660	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_660	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_660	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_660	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_660	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_660	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_660	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_660	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_660	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_660	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_660	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_660	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_660	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_660	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_660	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_660	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_660	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_660	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_660	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_660	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_660	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_660	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_660	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_660	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_660	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_660	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_660	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_660	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_660	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_660	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_660	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_660	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_660	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_660	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_660	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_660	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_660	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_660	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_660	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_660	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_660	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_660	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_660	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_660	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_660	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_660	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_660	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_660	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_660	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_660	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_660	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_660	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_660	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_660	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_660	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_660	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_660	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_660	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_660	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_660	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_660	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_660	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_660	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_660	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_660	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_660	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_660	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_660	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_660	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_660	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_660	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_660	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_660	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_660	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_660	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_660	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_660	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_660	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_660	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_660	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_660	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_660	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_660	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_660	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_660	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_660	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_660	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_660	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_660	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_660	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_660	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_660	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_660	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_660	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_660	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_660	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_660	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_660	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_660	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_660	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_660	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_660	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_660	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_660	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_660	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_660	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_660	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_660	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_660	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_660	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_660	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_660	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_660	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_660	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_660	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_660	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_660	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_660	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_660	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_660	c1coc2c1cccc2	C271896
PUBCHEM_660	OC(=O)c1ccccc1	C65850
PUBCHEM_660	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_660	OCc1ccccc1	C100516
PUBCHEM_660	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_660	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_660	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_660	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_660	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_660	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_660	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_660	Oc1c(cccc1)O	C120809
PUBCHEM_660	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_660	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_660	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_660	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_660	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_660	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_660	O=C(c1ccccc1)CCl	C532274
PUBCHEM_660	Nc1ccc(cc1)Cl	C106478
PUBCHEM_660	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_660	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_660	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_660	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_660	Nc1cc(ccc1OC)C	C120718
PUBCHEM_660	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_660	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_660	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_660	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_660	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_660	Clc1c(cccc1)Cl	C95501
PUBCHEM_660	Clc1ccc(cc1)Cl	C106467
PUBCHEM_660	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_660	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_660	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_660	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_660	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_660	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_660	CN(c1ccccc1)C	C121697
PUBCHEM_660	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_660	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_660	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_660	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_660	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_660	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_660	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_660	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_660	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_660	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_660	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_660	O=Cc1ccco1	C98011
PUBCHEM_660	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_660	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_660	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_660	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_660	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_660	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_660	Oc1ccc(cc1)O	C123319
PUBCHEM_660	Oc1cccc2cccnc12	C148243
PUBCHEM_660	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_660	O=C(c1ccncc1)NN	C54853
PUBCHEM_660	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_660	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_660	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_660	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_660	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_660	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_660	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_660	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_660	Cc1cc2cccnc2cc1	C91623
PUBCHEM_660	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_660	c1c2c(ccc1)cccc2	C91203
PUBCHEM_660	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_660	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_660	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_660	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_660	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_660	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_660	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_660	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_660	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_660	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_660	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_660	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_660	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_660	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_660	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_660	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_660	Oc1ccccc1	C108952
PUBCHEM_660	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_660	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_660	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_660	Nc1cc(ccc1)N	C108452
PUBCHEM_660	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_660	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_660	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_660	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_660	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_660	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_660	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_660	Oc1cc(ccc1)O	C108463
PUBCHEM_660	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_660	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_660	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_660	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_660	C1C(c2ccccc2)O1	C96093
PUBCHEM_660	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_660	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_660	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_660	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_660	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_660	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_660	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_660	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_660	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_660	Oc1ccccc1Cl	C95578
PUBCHEM_660	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_660	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_660	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_660	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_660	n1cccc2c1cccc2	C91225
PUBCHEM_660	CCN(CC)c1ccccc1	C91667
PUBCHEM_660	Oc1c(C)cccc1	C95487
PUBCHEM_660	c1ccccc1C(=O)C	C98862
PUBCHEM_660	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_660	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_660	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_660	CCNc1cc(C)ccc1	C102272
PUBCHEM_660	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_660	Oc1ccc(C)cc1	C106445
PUBCHEM_660	Nc1ccc(C)cc1	C106490
PUBCHEM_660	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_660	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_660	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_660	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_660	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_660	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_660	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_660	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_660	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_660	Clc1cc(Cl)ccc1	C541731
PUBCHEM_660	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_660	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_660	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_660	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_660	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_660	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_660	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_660	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_660	c1(CCCC)ccccc1	C104518
PUBCHEM_660	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_660	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_660	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_660	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_660	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_660	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_660	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_660	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_660	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_660	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_660	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_660	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_660	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_660	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_660	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_660	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_660	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_660	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_660	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_660	Nc1c(OC)cccc1	C90040
PUBCHEM_660	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_660	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_660	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_660	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_660	Cc1ccccc1Cl	C95498
PUBCHEM_660	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_660	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_660	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_660	Oc1c(cccc1C)C	C576261
PUBCHEM_660	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_660	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_660	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_660	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_660	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_660	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_660	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_660	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_660	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_660	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_660	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_660	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_660	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_660	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_660	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_660	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_660	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_660	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_660	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_660	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_660	Cc1ccc(Cl)cc1	C106434
PUBCHEM_660	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_660	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_660	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_660	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_660	Nc1cc(C)ccc1N	C496720
PUBCHEM_660	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_660	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_660	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_660	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_660	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_660	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_660	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_660	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_660	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_660	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_660	N(c1ccccc1)CC	C103695
PUBCHEM_660	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_660	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_660	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_660	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_660	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_660	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_660	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_660	Nc1c(N)cccc1	C95545
PUBCHEM_660	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_660	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_660	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_660	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_660	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_660	Nc1c(cccc1)C	C95534
PUBCHEM_660	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_660	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_660	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_660	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_660	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_660	Nc1c(cccc1C)C	C87627
PUBCHEM_660	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_660	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_660	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_660	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_660	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_660	N#Cc1cnccc1	C100549
PUBCHEM_660	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_660	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_660	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_660	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_660	Nc1cccc(C)c1	C108441
PUBCHEM_660	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_660	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_660	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_660	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_660	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_660	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_660	Nc1c(CC)cccc1CC	C579668
PUBCHEM_660	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_660	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_660	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_660	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_660	Nc1cccc(C)c1N	C2687254
PUBCHEM_660	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_660	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_660	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_660	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_660	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_660	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_660	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_660	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_660	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_660	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_660	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_660	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_660	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_660	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_660	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_660	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_660	O=Cc1ccccc1C=O	C643798
PUBCHEM_660	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_660	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_660	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_660	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_660	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_660	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_660	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_660	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_660	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_660	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_660	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_660	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_660	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_660	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_660	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_660	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_660	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_660	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_660	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_660	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_660	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_660	CCCc1ccccc1	C103651
PUBCHEM_660	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_660	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_660	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_660	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_660	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_660	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_660	CC(C)(C)c1ccccc1	C98066
PUBCHEM_660	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_660	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_660	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_660	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_660	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_660	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_660	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_660	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_660	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_660	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_660	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_660	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_660	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_660	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_660	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_660	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_660	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_660	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_660	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_660	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_660	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_660	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_660	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_660	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_660	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_660	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_660	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_660	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_660	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_660	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_660	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_660	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_660	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_660	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_660	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_660	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_660	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_660	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_660	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_660	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_660	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_660	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_660	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_660	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_660	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_660	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_660	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_660	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_660	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_660	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_660	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_660	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_660	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_660	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_660	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_660	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_660	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_660	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_660	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_660	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_660	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_660	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_660	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_660	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_660	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_660	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_660	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_660	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_660	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_660	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_660	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_660	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_660	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_660	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_660	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_660	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_660	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_660	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_660	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_660	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_660	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_660	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_660	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_660	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_660	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_660	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_660	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_660	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_660	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_660	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_660	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_660	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_660	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_660	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_660	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_660	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_660	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_660	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_660	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_660	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_660	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_660	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_660	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_660	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_660	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_660	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_660	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_660	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_660	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_660	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_660	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_660	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_660	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_660	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_660	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_660	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_660	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_660	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_660	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_660	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_660	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_660	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_660	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_660	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_660	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_660	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_660	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_660	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_660	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_660	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_660	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_660	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_660	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_660	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_660	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_660	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_660	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_660	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_660	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_660	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_660	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_660	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_660	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_660	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_660	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_660	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_660	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_660	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_660	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_660	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_660	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_660	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_660	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_660	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_660	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_660	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_660	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_660	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_660	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_660	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_660	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_660	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_660	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_660	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_660	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_660	O=C(OCC)c1ccccc1	C93890
PUBCHEM_660	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_660	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_660	NCc1cccc(CN)c1	C1477550
PUBCHEM_660	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_660	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_660	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_660	n1cc(C)ccc1	C108996
PUBCHEM_660	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_660	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_660	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_660	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_660	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_660	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_660	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_660	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_660	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_660	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_660	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_660	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_660	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_660	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_660	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_660	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_660	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_660	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_660	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_660	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_660	NNc1ccccc1.Cl	C59881
PUBCHEM_660	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_660	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_660	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_660	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_660	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_660	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_660	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_660	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_660	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_660	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_660	N#Cc1ccccc1	C100470
PUBCHEM_660	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_660	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_660	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_660	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_660	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_660	Nc1ccc(Br)cc1	C106401
PUBCHEM_660	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_660	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_660	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_660	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_660	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_660	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_660	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_660	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_660	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_660	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_660	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_660	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_660	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_660	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_660	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_660	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_660	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_660	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_660	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_660	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_660	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_660	Nc1ccc(OC)cc1	C104949
PUBCHEM_660	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_660	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_660	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_660	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_660	O=CC=CC=CCCCCC	C25152845
PUBCHEM_660	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_660	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_660	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_660	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_660	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_660	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_660	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_660	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_660	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_660	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_660	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_660	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_660	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_660	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_660	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_660	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_660	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_660	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_660	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_660	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_660	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_660	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_660	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_660	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_660	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_660	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_660	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_660	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_660	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_660	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_660	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_660	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_660	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_660	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_660	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_660	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_660	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_660	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_660	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_660	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_660	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_660	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_660	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_660	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_660	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_660	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_660	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_660	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_660	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_660	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_660	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_660	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_660	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_660	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_660	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_660	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_660	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_660	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_660	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_660	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_660	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_660	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_660	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_660	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_660	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_660	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_660	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_660	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_660	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_660	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_660	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_660	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_660	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_660	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_660	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_660	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_660	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_660	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_660	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_660	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_660	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_660	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_660	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_660	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_660	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_660	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_660	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_660	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_660	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_660	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_660	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_660	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_660	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_660	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_660	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_660	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_660	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_660	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_660	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_660	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_660	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_660	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_660	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_660	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_660	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_660	Cl[Hg]c1ccccc1	C100561
PUBCHEM_660	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_660	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_660	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_660	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_660	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_660	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_660	O=[As]c1ccccc1	C637036
PUBCHEM_660	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_660	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_660	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_660	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_660	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_660	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_660	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_660	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_660	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_660	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_660	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_660	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_660	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_660	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_660	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_660	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_660	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_660	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_660	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_660	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_660	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_660	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_660	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_660	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_660	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_660	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_660	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_660	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_660	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_660	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_660	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_660	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_660	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_660	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_660	Nc1cccc(C)n1	C1824813
PUBCHEM_660	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_660	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_660	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_660	CC1COc2ccccc2N1	C32329207
PUBCHEM_660	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_660	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_660	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_660	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_660	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_660	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_660	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_660	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_660	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_660	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_660	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_660	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_660	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_660	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_660	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_660	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_660	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_660	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_660	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_660	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_660	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_660	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_660	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_660	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_660	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_660	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_660	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_660	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_660	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_660	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_660	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_660	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_660	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_660	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_660	CCCCCc1ccco1	C3777693
PUBCHEM_660	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_661	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_661	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_661	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_661	O=C1OCC(C)O1	C108327
PUBCHEM_661	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_661	OC(OCCCC)CC	C29387868
PUBCHEM_661	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_661	O=C1OCC(CC)O1	C4437858
PUBCHEM_661	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_661	CCOC(OCC)OCC	C122510
PUBCHEM_661	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_661	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_661	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_661	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_661	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_661	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_661	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_661	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_661	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_661	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_661	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_661	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_661	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_661	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_661	CC1CC(OC(O1)C)OC(=O)C	C828002
PUBCHEM_661	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_661	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_661	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_661	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_661	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_661	OC(OC(O)CC)CC	C25265718
PUBCHEM_661	OC(OCCCOC)CC	C34590948
PUBCHEM_661	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_661	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_661	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_661	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_661	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_661	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_661	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_661	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_661	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_661	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_661	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_661	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_661	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_661	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_661	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_661	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_661	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_661	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_661	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_661	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_662	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_662	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_662	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_662	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_662	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_662	OCCOCCOCCOCCCC	C143226
PUBCHEM_662	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	C78513
PUBCHEM_662	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_662	C=CC(=O)OCCO	C818611
PUBCHEM_662	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_662	c1cccc(OC)c1O	C90051
PUBCHEM_662	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_662	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_662	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_662	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_662	CC(O)COC	C107982
PUBCHEM_662	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_662	C(OCCCC)C1CO1	C2426086
PUBCHEM_662	c1c(CO)occ1	C98000
PUBCHEM_662	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_662	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_662	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_662	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_662	O=C1OCC(C)O1	C108327
PUBCHEM_662	O=C(C)OCCOC(=O)C	C111557
PUBCHEM_662	O=C(C)OCCOCCCC	C112072
PUBCHEM_662	OCCOCCOCCOC	C112356
PUBCHEM_662	OCCOCCOCCOCCO	C112607
PUBCHEM_662	OC(C)COc1ccccc1	C770354
PUBCHEM_662	COCCO[Si](C=C)(OCCOC)OCCOC	C1067534
PUBCHEM_662	OCCOCCOCCOCCOCCCC	C1559348
PUBCHEM_662	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_662	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_662	OCCOCCC	C2807309
PUBCHEM_662	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_662	OC(OCC(OC(O)CC)C)CC	C24800440
PUBCHEM_662	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_662	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_662	OCC1OCCC1	C97994
PUBCHEM_662	OC(C)COCCC	C1569013
PUBCHEM_662	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_662	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_662	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_662	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_662	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_662	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_662	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_662	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_662	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_662	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_662	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_662	O=C1OCC(CC)O1	C4437858
PUBCHEM_662	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_662	C[Si](C)(C)O[Si](CCCOCCOC)(C)O[Si](C)(C)C	C27306781
PUBCHEM_662	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_662	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_662	CC(O)COCC	C1569024
PUBCHEM_662	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_662	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_662	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_662	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_662	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_662	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_662	OCCOCC(CC)CCCC	C1559359
PUBCHEM_662	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_662	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_662	OC(C)C(=O)OCCCC	C138227
PUBCHEM_662	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_662	Oc1c(OCC)cccc1	C94713
PUBCHEM_662	O[C@@H](C)C(=O)OCCCC	C34451199
PUBCHEM_662	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_662	OC(OCC(OC(OCCCC)CC)C)CC	C55934935
PUBCHEM_662	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_662	OCCOCC(C)OCCO	C9003116
PUBCHEM_662	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_662	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_662	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_662	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_662	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_662	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_662	c1ccccc1OCCO	C122996
PUBCHEM_662	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_662	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_662	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_662	OCCOC	C109864
PUBCHEM_662	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_662	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_662	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_662	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_662	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_662	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_662	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_662	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_662	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_662	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_662	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_662	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_662	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_662	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_662	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_662	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_662	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_662	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_662	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_662	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_662	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_662	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_662	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_662	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_662	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_662	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_662	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_662	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_662	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_662	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_662	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_662	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_662	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_662	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_662	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_662	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_662	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_662	OCCOCCO	C111466
PUBCHEM_662	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_662	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_662	OCC1CO1	C556525
PUBCHEM_662	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_662	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_662	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_662	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_662	OCCOCCOCCO	C112276
PUBCHEM_662	CCCCOCCOCCO	C112345
PUBCHEM_662	CC(=O)OCCOCC	C111159
PUBCHEM_662	CCOCCOCCO	C111900
PUBCHEM_662	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_662	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_662	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_662	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_662	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_662	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_662	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_662	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_662	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_662	CCOCCO	C110805
PUBCHEM_662	CCCCOCCO	C111762
PUBCHEM_662	OCCOCCOCCOCC	C112505
PUBCHEM_662	O(CCOC)CCOC	C111966
PUBCHEM_662	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_662	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_662	O(CCOC)CCO	C111773
PUBCHEM_662	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_662	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_662	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_662	O=C(OCCOCCOCCOC(=O)C)C	C111217
PUBCHEM_662	C(OCCOC)COCCOC	C112492
PUBCHEM_662	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_662	O=C(C)OCC(OC(=O)C)COC(=O)C	C102761
PUBCHEM_662	OCCOCCCCCC	C112254
PUBCHEM_662	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_662	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_662	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_662	OCC(C)OCC(OCC(OC)C)C	C25498491
PUBCHEM_662	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_662	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_662	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_662	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_662	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_662	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_662	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_662	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_662	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_662	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_662	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_662	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_662	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_662	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_662	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_662	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_662	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_662	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_662	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_662	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_662	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_662	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_662	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_662	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_662	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_662	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_662	NCCOCCOCCN	C929599
PUBCHEM_662	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_662	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_662	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_662	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_662	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_662	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_662	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_662	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_662	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_662	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_662	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_662	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_662	ClC(=O)OCCOCCOC(=O)Cl	C106752
PUBCHEM_662	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_662	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_662	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_662	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_662	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_662	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_662	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_662	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_662	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_662	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_662	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_662	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_662	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_662	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_662	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_664	Nc1ccccc1.Cl	C142041
PUBCHEM_664	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_664	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_664	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_664	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_664	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_664	CC(=O)OCc1ccccc1	C140114
PUBCHEM_664	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_664	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_664	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_664	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_664	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_664	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_664	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_664	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_664	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_664	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_664	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_664	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_664	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_664	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_664	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_664	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_664	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_664	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_664	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_664	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_664	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_664	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_664	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_664	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_664	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_664	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_664	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_664	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_664	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_664	c1cccc2[nH]ccc12	C120729
PUBCHEM_664	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_664	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_664	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_664	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_664	COc1ccc(cc1)O	C150765
PUBCHEM_664	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_664	C=Cc1ccc(cc1)C	C622979
PUBCHEM_664	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_664	NC(=O)c1cccnc1	C98920
PUBCHEM_664	OC(=O)c1cccnc1	C59676
PUBCHEM_664	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_664	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_664	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_664	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_664	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_664	Nc1ccc(cc1)N	C106503
PUBCHEM_664	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_664	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_664	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_664	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_664	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_664	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_664	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_664	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_664	Nc1ccccc1C.Cl	C636215
PUBCHEM_664	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_664	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_664	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_664	O=CCc1ccccc1	C122781
PUBCHEM_664	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_664	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_664	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_664	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_664	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_664	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_664	O=Cc1ccccc1O	C90028
PUBCHEM_664	Oc1cccc2ccccc12	C90153
PUBCHEM_664	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_664	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_664	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_664	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_664	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_664	Oc1ccc(Cl)cc1	C106489
PUBCHEM_664	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_664	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_664	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_664	Oc1ccc(CC)cc1	C123079
PUBCHEM_664	COc1ccc(OC)cc1	C150787
PUBCHEM_664	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_664	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_664	Oc1ccc(CCC)cc1	C645567
PUBCHEM_664	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_664	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_664	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_664	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_664	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_664	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_664	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_664	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_664	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_664	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_664	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_664	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_664	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_664	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_664	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_664	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_664	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_664	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_664	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_664	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_664	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_664	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_664	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_664	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_664	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_664	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_664	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_664	c1(c(CC)cccc1)O	C90006
PUBCHEM_664	c1c(O)cccc1CC	C620177
PUBCHEM_664	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_664	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_664	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_664	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_664	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_664	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_664	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_664	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_664	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_664	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_664	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_664	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_664	c1cccc(OC)c1O	C90051
PUBCHEM_664	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_664	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_664	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_664	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_664	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_664	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_664	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_664	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_664	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_664	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_664	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_664	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_664	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_664	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_664	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_664	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_664	Cc1cc(O)ccc1	C108394
PUBCHEM_664	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_664	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_664	c1ccc2ncsc2c1	C95169
PUBCHEM_664	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_664	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_664	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_664	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_664	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_664	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_664	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_664	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_664	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_664	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_664	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_664	Cc1c(C)cccc1O	C526750
PUBCHEM_664	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_664	C=Cc1ccccc1C=C	C1321740
PUBCHEM_664	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_664	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_664	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_664	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_664	c1c(CO)occ1	C98000
PUBCHEM_664	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_664	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_664	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_664	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_664	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_664	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_664	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_664	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_664	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_664	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_664	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_664	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_664	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_664	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_664	c12ccccc1CCCC2	C119642
PUBCHEM_664	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_664	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_664	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_664	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_664	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_664	Cc1cccc(C)c1	C108383
PUBCHEM_664	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_664	OCCc1ccccc1	C60128
PUBCHEM_664	O=C(O)c1ccccc1O	C69727
PUBCHEM_664	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_664	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_664	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_664	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_664	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_664	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_664	Sc1ccccc1	C108985
PUBCHEM_664	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_664	Oc1ccc2ccccc2c1	C135193
PUBCHEM_664	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_664	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_664	Brc1ccc(F)cc1	C460004
PUBCHEM_664	C1=CC=CC1	C542927
PUBCHEM_664	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_664	ClP(c1ccccc1)Cl	C644973
PUBCHEM_664	OC(C)COc1ccccc1	C770354
PUBCHEM_664	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_664	Nc1cccc(C)c1C	C1300738
PUBCHEM_664	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_664	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_664	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_664	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_664	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_664	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_664	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_664	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_664	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_664	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_664	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_664	Nc1c(C)cccc1CC	C24549062
PUBCHEM_664	Clc1cccc(C)c1	C25168052
PUBCHEM_664	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_664	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_664	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_664	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_664	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_664	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_664	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_664	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_664	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_664	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_664	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_664	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_664	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_664	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_664	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_664	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_664	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_664	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_664	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_664	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_664	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_664	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_664	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_664	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_664	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_664	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_664	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_664	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_664	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_664	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_664	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_664	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_664	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_664	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_664	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_664	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_664	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_664	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_664	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_664	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_664	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_664	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_664	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_664	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_664	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_664	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_664	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_664	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_664	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_664	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_664	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_664	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_664	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_664	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_664	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_664	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_664	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_664	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_664	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_664	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_664	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_664	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_664	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_664	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_664	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_664	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_664	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_664	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_664	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_664	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_664	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_664	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_664	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_664	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_664	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_664	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_664	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_664	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_664	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_664	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_664	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_664	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_664	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_664	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_664	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_664	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_664	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_664	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_664	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_664	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_664	O=C(c1ccccc1O)C	C118934
PUBCHEM_664	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_664	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_664	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_664	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_664	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_664	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_664	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_664	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_664	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_664	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_664	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_664	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_664	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_664	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_664	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_664	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_664	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_664	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_664	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_664	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_664	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_664	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_664	Oc1ccccc1CN(C)C	C120650
PUBCHEM_664	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_664	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_664	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_664	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_664	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_664	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_664	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_664	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_664	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_664	OCC=Cc1ccccc1	C104541
PUBCHEM_664	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_664	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_664	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_664	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_664	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_664	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_664	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_664	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_664	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_664	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_664	N#Cc1c(O)cccc1	C611201
PUBCHEM_664	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_664	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_664	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_664	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_664	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_664	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_664	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_664	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_664	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_664	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_664	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_664	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_664	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_664	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_664	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_664	c12ccccc1CC=C2	C95136
PUBCHEM_664	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_664	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_664	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_664	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_664	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_664	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_664	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_664	Oc1c(OCC)cccc1	C94713
PUBCHEM_664	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_664	COc1ccc(CCC)cc1	C104450
PUBCHEM_664	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_664	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_664	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_664	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_664	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_664	OC(CO)c1ccccc1	C93561
PUBCHEM_664	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_664	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_664	O=C(N)Nc1ccccc1	C64108
PUBCHEM_664	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_664	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_664	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_664	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_664	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_664	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_664	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_664	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_664	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_664	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_664	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_664	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_664	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_664	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_664	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_664	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_664	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_664	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_664	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_664	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_664	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_664	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_664	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_664	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_664	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_664	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_664	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_664	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_664	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_664	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_664	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_664	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_664	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_664	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_664	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_664	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_664	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_664	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_664	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_664	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_664	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_664	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_664	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_664	Sc1ccc(C)cc1	C106456
PUBCHEM_664	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_664	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_664	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_664	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_664	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_664	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_664	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_664	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_664	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_664	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_664	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_664	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_664	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_664	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_664	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_664	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_664	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_664	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_664	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_664	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_664	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_664	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_664	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_664	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_664	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_664	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_664	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_664	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_664	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_664	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_664	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_664	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_664	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_664	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_664	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_664	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_664	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_664	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_664	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_664	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_664	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_664	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_664	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_664	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_664	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_664	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_664	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_664	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_664	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_664	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_664	c1ccccc1OCCO	C122996
PUBCHEM_664	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_664	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_664	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_664	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_664	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_664	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_664	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_664	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_664	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_664	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_664	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_664	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_664	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_664	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_664	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_664	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_664	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_664	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_664	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_664	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_664	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_664	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_664	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_664	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_664	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_664	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_664	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_664	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_664	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_664	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_664	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_664	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_664	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_664	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_664	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_664	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_664	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_664	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_664	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_664	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_664	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_664	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_664	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_664	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_664	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_664	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_664	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_664	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_664	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_664	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_664	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_664	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_664	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_664	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_664	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_664	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_664	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_664	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_664	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_664	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_664	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_664	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_664	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_664	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_664	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_664	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_664	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_664	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_664	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_664	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_664	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_664	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_664	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_664	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_664	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_664	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_664	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_664	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_664	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_664	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_664	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_664	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_664	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_664	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_664	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_664	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_664	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_664	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_664	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_664	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_664	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_664	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_664	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_664	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_664	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_664	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_664	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_664	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_664	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_664	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_664	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_664	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_664	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_664	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_664	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_664	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_664	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_664	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_664	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_664	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_664	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_664	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_664	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_664	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_664	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_664	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_664	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_664	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_664	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_664	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_664	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_664	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_664	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_664	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_664	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_664	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_664	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_664	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_664	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_664	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_664	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_664	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_664	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_664	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_664	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_664	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_664	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_664	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_664	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_664	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_664	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_664	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_664	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_664	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_664	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_664	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_664	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_664	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_664	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_664	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_664	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_664	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_664	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_664	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_664	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_664	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_664	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_664	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_664	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_664	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_664	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_664	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_664	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_664	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_664	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_664	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_664	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_664	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_664	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_664	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_664	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_664	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_664	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_664	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_664	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_664	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_664	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_664	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_664	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_664	c1coc2c1cccc2	C271896
PUBCHEM_664	OC(=O)c1ccccc1	C65850
PUBCHEM_664	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_664	OCc1ccccc1	C100516
PUBCHEM_664	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_664	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_664	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_664	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_664	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_664	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_664	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_664	Oc1c(cccc1)O	C120809
PUBCHEM_664	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_664	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_664	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_664	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_664	O=C(c1ccccc1)CCl	C532274
PUBCHEM_664	Nc1ccc(cc1)Cl	C106478
PUBCHEM_664	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_664	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_664	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_664	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_664	Nc1cc(ccc1OC)C	C120718
PUBCHEM_664	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_664	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_664	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_664	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_664	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_664	Clc1c(cccc1)Cl	C95501
PUBCHEM_664	Clc1ccc(cc1)Cl	C106467
PUBCHEM_664	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_664	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_664	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_664	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_664	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_664	CN(c1ccccc1)C	C121697
PUBCHEM_664	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_664	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_664	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_664	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_664	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_664	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_664	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_664	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_664	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_664	O=Cc1ccco1	C98011
PUBCHEM_664	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_664	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_664	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_664	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_664	Oc1ccc(cc1)O	C123319
PUBCHEM_664	Oc1cccc2cccnc12	C148243
PUBCHEM_664	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_664	O=C(c1ccncc1)NN	C54853
PUBCHEM_664	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_664	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_664	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_664	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_664	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_664	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_664	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_664	Cc1cc2cccnc2cc1	C91623
PUBCHEM_664	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_664	c1c2c(ccc1)cccc2	C91203
PUBCHEM_664	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_664	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_664	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_664	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_664	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_664	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_664	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_664	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_664	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_664	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_664	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_664	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_664	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_664	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_664	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_664	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_664	Oc1ccccc1	C108952
PUBCHEM_664	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_664	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_664	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_664	Nc1cc(ccc1)N	C108452
PUBCHEM_664	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_664	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_664	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_664	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_664	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_664	Oc1cc(ccc1)O	C108463
PUBCHEM_664	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_664	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_664	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_664	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_664	OC(=O)C=CC=CC	C110441
PUBCHEM_664	C1C(c2ccccc2)O1	C96093
PUBCHEM_664	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_664	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_664	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_664	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_664	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_664	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_664	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_664	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_664	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_664	Oc1ccccc1Cl	C95578
PUBCHEM_664	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_664	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_664	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_664	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_664	n1cccc2c1cccc2	C91225
PUBCHEM_664	CCN(CC)c1ccccc1	C91667
PUBCHEM_664	Oc1c(C)cccc1	C95487
PUBCHEM_664	c1ccccc1C(=O)C	C98862
PUBCHEM_664	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_664	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_664	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_664	CCNc1cc(C)ccc1	C102272
PUBCHEM_664	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_664	Oc1ccc(C)cc1	C106445
PUBCHEM_664	Nc1ccc(C)cc1	C106490
PUBCHEM_664	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_664	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_664	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_664	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_664	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_664	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_664	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_664	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_664	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_664	Clc1cc(Cl)ccc1	C541731
PUBCHEM_664	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_664	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_664	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_664	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_664	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_664	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_664	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_664	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_664	c1(CCCC)ccccc1	C104518
PUBCHEM_664	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_664	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_664	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_664	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_664	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_664	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_664	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_664	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_664	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_664	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_664	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_664	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_664	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_664	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_664	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_664	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_664	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_664	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_664	Nc1c(OC)cccc1	C90040
PUBCHEM_664	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_664	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_664	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_664	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_664	Cc1ccccc1Cl	C95498
PUBCHEM_664	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_664	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_664	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_664	Oc1c(cccc1C)C	C576261
PUBCHEM_664	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_664	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_664	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_664	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_664	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_664	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_664	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_664	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_664	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_664	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_664	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_664	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_664	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_664	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_664	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_664	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_664	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_664	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_664	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_664	Cc1ccc(Cl)cc1	C106434
PUBCHEM_664	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_664	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_664	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_664	Nc1cc(C)ccc1N	C496720
PUBCHEM_664	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_664	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_664	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_664	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_664	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_664	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_664	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_664	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_664	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_664	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_664	N(c1ccccc1)CC	C103695
PUBCHEM_664	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_664	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_664	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_664	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_664	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_664	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_664	Nc1c(N)cccc1	C95545
PUBCHEM_664	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_664	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_664	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_664	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_664	Nc1c(cccc1)C	C95534
PUBCHEM_664	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_664	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_664	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_664	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_664	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_664	Nc1c(cccc1C)C	C87627
PUBCHEM_664	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_664	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_664	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_664	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_664	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_664	N#Cc1cnccc1	C100549
PUBCHEM_664	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_664	Nc1cccc(C)c1	C108441
PUBCHEM_664	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_664	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_664	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_664	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_664	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_664	Nc1c(CC)cccc1CC	C579668
PUBCHEM_664	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_664	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_664	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_664	Nc1cccc(C)c1N	C2687254
PUBCHEM_664	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_664	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_664	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_664	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_664	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_664	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_664	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_664	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_664	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_664	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_664	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_664	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_664	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_664	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_664	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_664	O=Cc1ccccc1C=O	C643798
PUBCHEM_664	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_664	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_664	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_664	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_664	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_664	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_664	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_664	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_664	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_664	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_664	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_664	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_664	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_664	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_664	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_664	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_664	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_664	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_664	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_664	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_664	CCCc1ccccc1	C103651
PUBCHEM_664	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_664	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_664	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_664	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_664	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_664	CC(C)(C)c1ccccc1	C98066
PUBCHEM_664	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_664	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_664	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_664	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_664	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_664	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_664	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_664	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_664	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_664	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_664	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_664	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_664	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_664	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_664	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_664	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_664	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_664	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_664	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_664	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_664	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_664	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_664	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_664	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_664	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_664	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_664	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_664	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_664	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_664	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_664	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_664	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_664	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_664	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_664	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_664	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_664	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_664	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_664	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_664	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_664	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_664	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_664	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_664	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_664	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_664	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_664	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_664	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_664	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_664	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_664	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_664	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_664	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_664	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_664	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_664	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_664	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_664	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_664	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_664	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_664	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_664	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_664	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_664	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_664	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_664	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_664	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_664	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_664	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_664	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_664	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_664	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_664	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_664	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_664	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_664	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_664	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_664	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_664	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_664	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_664	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_664	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_664	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_664	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_664	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_664	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_664	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_664	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_664	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_664	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_664	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_664	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_664	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_664	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_664	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_664	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_664	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_664	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_664	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_664	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_664	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_664	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_664	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_664	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_664	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_664	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_664	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_664	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_664	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_664	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_664	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_664	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_664	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_664	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_664	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_664	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_664	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_664	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_664	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_664	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_664	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_664	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_664	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_664	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_664	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_664	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_664	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_664	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_664	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_664	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_664	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_664	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_664	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_664	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_664	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_664	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_664	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_664	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_664	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_664	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_664	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_664	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_664	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_664	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_664	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_664	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_664	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_664	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_664	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_664	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_664	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_664	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_664	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_664	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_664	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_664	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_664	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_664	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_664	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_664	O=C(OCC)c1ccccc1	C93890
PUBCHEM_664	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_664	NCc1cccc(CN)c1	C1477550
PUBCHEM_664	n1cc(C)ccc1	C108996
PUBCHEM_664	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_664	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_664	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_664	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_664	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_664	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_664	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_664	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_664	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_664	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_664	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_664	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_664	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_664	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_664	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_664	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_664	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_664	NNc1ccccc1.Cl	C59881
PUBCHEM_664	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_664	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_664	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_664	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_664	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_664	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_664	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_664	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_664	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_664	N#Cc1ccccc1	C100470
PUBCHEM_664	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_664	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_664	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_664	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_664	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_664	Nc1ccc(Br)cc1	C106401
PUBCHEM_664	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_664	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_664	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_664	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_664	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_664	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_664	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_664	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_664	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_664	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_664	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_664	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_664	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_664	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_664	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_664	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_664	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_664	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_664	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_664	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_664	Nc1ccc(OC)cc1	C104949
PUBCHEM_664	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_664	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_664	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_664	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_664	O=CC=CC=CCCCCC	C25152845
PUBCHEM_664	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_664	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_664	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_664	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_664	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_664	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_664	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_664	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_664	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_664	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_664	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_664	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_664	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_664	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_664	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_664	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_664	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_664	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_664	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_664	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_664	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_664	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_664	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_664	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_664	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_664	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_664	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_664	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_664	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_664	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_664	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_664	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_664	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_664	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_664	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_664	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_664	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_664	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_664	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_664	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_664	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_664	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_664	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_664	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_664	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_664	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_664	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_664	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_664	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_664	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_664	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_664	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_664	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_664	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_664	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_664	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_664	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_664	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_664	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_664	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_664	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_664	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_664	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_664	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_664	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_664	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_664	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_664	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_664	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_664	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_664	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_664	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_664	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_664	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_664	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_664	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_664	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_664	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_664	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_664	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_664	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_664	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_664	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_664	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_664	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_664	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_664	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_664	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_664	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_664	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_664	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_664	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_664	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_664	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_664	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_664	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_664	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_664	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_664	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_664	Cl[Hg]c1ccccc1	C100561
PUBCHEM_664	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_664	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_664	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_664	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_664	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_664	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_664	O=[As]c1ccccc1	C637036
PUBCHEM_664	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_664	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_664	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_664	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_664	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_664	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_664	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_664	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_664	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_664	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_664	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_664	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_664	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_664	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_664	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_664	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_664	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_664	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_664	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_664	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_664	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_664	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_664	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_664	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_664	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_664	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_664	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_664	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_664	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_664	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_664	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_664	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_664	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_664	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_664	Nc1cccc(C)n1	C1824813
PUBCHEM_664	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_664	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_664	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_664	CC1COc2ccccc2N1	C32329207
PUBCHEM_664	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_664	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_664	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_664	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_664	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_664	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_664	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_664	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_664	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_664	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_664	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_664	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_664	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_664	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_664	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_664	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_664	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_664	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_664	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_664	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_664	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_664	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_664	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_664	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_664	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_664	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_664	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_664	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_664	CCCCCc1ccco1	C3777693
PUBCHEM_664	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_665	Nc1ccccc1.Cl	C142041
PUBCHEM_665	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_665	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_665	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_665	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_665	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_665	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_665	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_665	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_665	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_665	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_665	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_665	c1cccc2[nH]ccc12	C120729
PUBCHEM_665	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_665	NC(=O)c1cccnc1	C98920
PUBCHEM_665	OC(=O)c1cccnc1	C59676
PUBCHEM_665	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_665	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_665	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_665	Nc1ccc(cc1)N	C106503
PUBCHEM_665	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_665	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_665	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_665	Nc1ccccc1C.Cl	C636215
PUBCHEM_665	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_665	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_665	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_665	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_665	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_665	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_665	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_665	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_665	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_665	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_665	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_665	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_665	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_665	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_665	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_665	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_665	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_665	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_665	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_665	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_665	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_665	c1ccc2ncsc2c1	C95169
PUBCHEM_665	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_665	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_665	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_665	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_665	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_665	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_665	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_665	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_665	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_665	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_665	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_665	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_665	Nc1cccc(C)c1C	C1300738
PUBCHEM_665	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_665	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_665	Nc1c(C)cccc1CC	C24549062
PUBCHEM_665	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_665	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_665	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_665	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_665	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_665	OCn1nc(C)cc1C	C85264331
PUBCHEM_665	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_665	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_665	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_665	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_665	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_665	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_665	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_665	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_665	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_665	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_665	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_665	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_665	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_665	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_665	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_665	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_665	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_665	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_665	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_665	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_665	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_665	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_665	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_665	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_665	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_665	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_665	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_665	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_665	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_665	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_665	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_665	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_665	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_665	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_665	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_665	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_665	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_665	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_665	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_665	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_665	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_665	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_665	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_665	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_665	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_665	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_665	O=C(N)Nc1ccccc1	C64108
PUBCHEM_665	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_665	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_665	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_665	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_665	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_665	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_665	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_665	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_665	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_665	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_665	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_665	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_665	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_665	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_665	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_665	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_665	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_665	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_665	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_665	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_665	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_665	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_665	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_665	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_665	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_665	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_665	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_665	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_665	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_665	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_665	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_665	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_665	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_665	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_665	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_665	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_665	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_665	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_665	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_665	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_665	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_665	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_665	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_665	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_665	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_665	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_665	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_665	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_665	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_665	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_665	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_665	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_665	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_665	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_665	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_665	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_665	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_665	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_665	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_665	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_665	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_665	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_665	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_665	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_665	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_665	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_665	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_665	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_665	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_665	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_665	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_665	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_665	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_665	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_665	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_665	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_665	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_665	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_665	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_665	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_665	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_665	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_665	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_665	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_665	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_665	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_665	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_665	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_665	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_665	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_665	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_665	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_665	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_665	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_665	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_665	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_665	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_665	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_665	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_665	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_665	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_665	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_665	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_665	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_665	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_665	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_665	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_665	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_665	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_665	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_665	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_665	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_665	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_665	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_665	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_665	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_665	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_665	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_665	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_665	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_665	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_665	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_665	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_665	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_665	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_665	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_665	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_665	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_665	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_665	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_665	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_665	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_665	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_665	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_665	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_665	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_665	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_665	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_665	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_665	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_665	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_665	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_665	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_665	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_665	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_665	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_665	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_665	Nc1ccc(cc1)Cl	C106478
PUBCHEM_665	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_665	Nc1cc(ccc1OC)C	C120718
PUBCHEM_665	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_665	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_665	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_665	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_665	CN(c1ccccc1)C	C121697
PUBCHEM_665	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_665	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_665	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_665	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_665	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_665	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_665	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_665	Oc1cccc2cccnc12	C148243
PUBCHEM_665	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_665	O=C(c1ccncc1)NN	C54853
PUBCHEM_665	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_665	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_665	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_665	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_665	Cc1cc2cccnc2cc1	C91623
PUBCHEM_665	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_665	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_665	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_665	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_665	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_665	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_665	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_665	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_665	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_665	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_665	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_665	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_665	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_665	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_665	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_665	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_665	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_665	Nc1cc(ccc1)N	C108452
PUBCHEM_665	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_665	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_665	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_665	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_665	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_665	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_665	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_665	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_665	n1cccc2c1cccc2	C91225
PUBCHEM_665	CCN(CC)c1ccccc1	C91667
PUBCHEM_665	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_665	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_665	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_665	CCNc1cc(C)ccc1	C102272
PUBCHEM_665	Nc1ccc(C)cc1	C106490
PUBCHEM_665	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_665	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_665	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_665	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_665	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_665	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_665	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_665	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_665	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_665	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_665	Nc1c(OC)cccc1	C90040
PUBCHEM_665	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_665	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_665	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_665	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_665	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_665	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_665	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_665	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_665	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_665	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_665	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_665	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_665	Nc1cc(C)ccc1N	C496720
PUBCHEM_665	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_665	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_665	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_665	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_665	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_665	N(c1ccccc1)CC	C103695
PUBCHEM_665	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_665	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_665	Nc1c(N)cccc1	C95545
PUBCHEM_665	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_665	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_665	Nc1c(cccc1)C	C95534
PUBCHEM_665	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_665	Nc1c(cccc1C)C	C87627
PUBCHEM_665	N#Cc1cnccc1	C100549
PUBCHEM_665	Nc1cccc(C)c1	C108441
PUBCHEM_665	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_665	Nc1c(CC)cccc1CC	C579668
PUBCHEM_665	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_665	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_665	Nc1cccc(C)c1N	C2687254
PUBCHEM_665	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_665	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_665	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_665	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_665	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_665	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_665	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_665	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_665	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_665	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_665	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_665	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_665	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_665	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_665	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_665	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_665	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_665	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_665	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_665	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_665	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_665	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_665	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_665	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_665	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_665	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_665	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_665	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_665	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_665	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_665	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_665	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_665	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_665	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_665	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_665	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_665	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_665	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_665	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_665	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_665	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_665	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_665	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_665	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_665	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_665	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_665	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_665	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_665	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_665	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_665	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_665	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_665	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_665	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_665	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_665	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_665	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_665	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_665	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_665	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_665	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_665	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_665	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_665	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_665	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_665	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_665	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_665	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_665	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_665	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_665	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_665	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_665	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_665	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_665	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_665	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_665	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_665	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_665	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_665	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_665	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_665	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_665	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_665	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_665	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_665	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_665	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_665	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_665	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_665	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_665	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_665	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_665	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_665	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_665	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_665	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_665	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_665	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_665	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_665	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_665	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_665	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_665	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_665	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_665	n1cc(C)ccc1	C108996
PUBCHEM_665	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_665	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_665	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_665	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_665	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_665	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_665	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_665	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_665	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_665	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_665	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_665	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_665	NNc1ccccc1.Cl	C59881
PUBCHEM_665	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_665	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_665	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_665	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_665	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_665	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_665	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_665	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_665	Nc1ccc(Br)cc1	C106401
PUBCHEM_665	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_665	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_665	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_665	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_665	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_665	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_665	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_665	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_665	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_665	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_665	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_665	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_665	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_665	Nc1ccc(OC)cc1	C104949
PUBCHEM_665	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_665	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_665	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_665	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_665	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_665	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_665	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_665	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_665	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_665	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_665	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_665	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_665	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_665	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_665	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_665	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_665	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_665	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_665	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_665	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_665	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_665	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_665	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_665	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_665	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_665	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_665	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_665	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_665	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_665	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_665	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_665	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_665	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_665	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_665	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_665	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_665	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_665	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_665	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_665	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_665	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_665	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_665	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_665	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_665	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_665	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_665	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_665	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_665	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_665	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_665	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_665	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_665	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_665	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_665	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_665	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_665	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_665	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_665	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_665	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_665	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_665	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_665	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_665	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_665	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_665	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_665	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_665	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_665	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_665	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_665	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_665	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_665	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_665	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_665	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_665	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_665	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_665	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_665	Nc1cccc(C)n1	C1824813
PUBCHEM_665	CC1COc2ccccc2N1	C32329207
PUBCHEM_665	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_665	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_665	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_665	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_665	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_665	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_665	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_665	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_665	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_665	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_665	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_666	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_666	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_666	CC(=O)OCc1ccccc1	C140114
PUBCHEM_666	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_666	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_666	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_666	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_666	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_666	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_666	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_666	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_666	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_666	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_666	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_666	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_666	COc1ccc(cc1)O	C150765
PUBCHEM_666	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_666	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_666	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_666	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_666	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_666	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_666	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_666	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_666	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_666	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_666	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_666	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_666	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_666	COc1ccc(OC)cc1	C150787
PUBCHEM_666	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_666	C=CC(=O)OCCO	C818611
PUBCHEM_666	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_666	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_666	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_666	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_666	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_666	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_666	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_666	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_666	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_666	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_666	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_666	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_666	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_666	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_666	c1cccc(OC)c1O	C90051
PUBCHEM_666	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_666	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_666	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_666	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_666	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_666	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_666	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_666	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_666	O=C(OCCCC)C=C	C141322
PUBCHEM_666	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_666	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_666	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_666	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_666	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_666	c1c(CO)occ1	C98000
PUBCHEM_666	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_666	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_666	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_666	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_666	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_666	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_666	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_666	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_666	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_666	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_666	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_666	OC(C)COc1ccccc1	C770354
PUBCHEM_666	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_666	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_666	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_666	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_666	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_666	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_666	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_666	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_666	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_666	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_666	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_666	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_666	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_666	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_666	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_666	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_666	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_666	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_666	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_666	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_666	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_666	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_666	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_666	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_666	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_666	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_666	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_666	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_666	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_666	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_666	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_666	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_666	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_666	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_666	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_666	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_666	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_666	C=CCOc1nc(OCC=C)nc(OCC=C)n1	C101371
PUBCHEM_666	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_666	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_666	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_666	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_666	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_666	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_666	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_666	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_666	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_666	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_666	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_666	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_666	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_666	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_666	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_666	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_666	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_666	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_666	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_666	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_666	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_666	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_666	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_666	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_666	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_666	Oc1c(OCC)cccc1	C94713
PUBCHEM_666	COc1ccc(CCC)cc1	C104450
PUBCHEM_666	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_666	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_666	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_666	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_666	O=C(C(=C)C)OCCC(C)OC(=O)C(=C)C	C1189088
PUBCHEM_666	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_666	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_666	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_666	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_666	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_666	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_666	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_666	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_666	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_666	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_666	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_666	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_666	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_666	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_666	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_666	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_666	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_666	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_666	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_666	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_666	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_666	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_666	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_666	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_666	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_666	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_666	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_666	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_666	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_666	c1ccccc1OCCO	C122996
PUBCHEM_666	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_666	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_666	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_666	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_666	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_666	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_666	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_666	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_666	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_666	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_666	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_666	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_666	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_666	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_666	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_666	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_666	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_666	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_666	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_666	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_666	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_666	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_666	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_666	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_666	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_666	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_666	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_666	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_666	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_666	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_666	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_666	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_666	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_666	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_666	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_666	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_666	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_666	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_666	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_666	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_666	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_666	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_666	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_666	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_666	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_666	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_666	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_666	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_666	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_666	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_666	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_666	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_666	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_666	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_666	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_666	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_666	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_666	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_666	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_666	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_666	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_666	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_666	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_666	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_666	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_666	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_666	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_666	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_666	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_666	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_666	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_666	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_666	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_666	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_666	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_666	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_666	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_666	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_666	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_666	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_666	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_666	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_666	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_666	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_666	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_666	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_666	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_666	c1coc2c1cccc2	C271896
PUBCHEM_666	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_666	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_666	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_666	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_666	Nc1cc(ccc1OC)C	C120718
PUBCHEM_666	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_666	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_666	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_666	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_666	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_666	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_666	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_666	O=Cc1ccco1	C98011
PUBCHEM_666	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_666	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_666	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_666	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_666	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_666	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_666	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_666	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_666	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_666	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_666	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_666	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_666	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_666	C1C(c2ccccc2)O1	C96093
PUBCHEM_666	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_666	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_666	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_666	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_666	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_666	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_666	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_666	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_666	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_666	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_666	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_666	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_666	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_666	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_666	Nc1c(OC)cccc1	C90040
PUBCHEM_666	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_666	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_666	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_666	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_666	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_666	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_666	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_666	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_666	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_666	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_666	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_666	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_666	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_666	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_666	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_666	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_666	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_666	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_666	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_666	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_666	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_666	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_666	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_666	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_666	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_666	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_666	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_666	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_666	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_666	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_666	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_666	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_666	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_666	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_666	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_666	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_666	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_666	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_666	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_666	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_666	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_666	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_666	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_666	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_666	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_666	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_666	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_666	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_666	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_666	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_666	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_666	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_666	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_666	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_666	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_666	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_666	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_666	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_666	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_666	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_666	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_666	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_666	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_666	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_666	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_666	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_666	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_666	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_666	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_666	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_666	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_666	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_666	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_666	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_666	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_666	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_666	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_666	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_666	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_666	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_666	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_666	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_666	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_666	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_666	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_666	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_666	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_666	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_666	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_666	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_666	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_666	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_666	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_666	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_666	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_666	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_666	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_666	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_666	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_666	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_666	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_666	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_666	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_666	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_666	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_666	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_666	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_666	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_666	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_666	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_666	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_666	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_666	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_666	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_666	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_666	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_666	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_666	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_666	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_666	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_666	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_666	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_666	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_666	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_666	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_666	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_666	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_666	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_666	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_666	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_666	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_666	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_666	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_666	O=C(OCC)c1ccccc1	C93890
PUBCHEM_666	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_666	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_666	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_666	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_666	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_666	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_666	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_666	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_666	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_666	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_666	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_666	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_666	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_666	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_666	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_666	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_666	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_666	Nc1ccc(OC)cc1	C104949
PUBCHEM_666	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_666	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_666	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_666	O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C	C3524683
PUBCHEM_666	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_666	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_666	O=C(C=C)OC(C)COC(C)COC(C)COC(=O)C=C	C42978665
PUBCHEM_666	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_666	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_666	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_666	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_666	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_666	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_666	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_666	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_666	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_666	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_666	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_666	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_666	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_666	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_666	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_666	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_666	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_666	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_666	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_666	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_666	OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	C60506812
PUBCHEM_666	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_666	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_666	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_666	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_666	O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C	C4986894
PUBCHEM_666	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_666	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_666	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_666	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_666	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_666	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_666	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_666	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_666	O=C(OCCOC(=O)C=C)C=C	C2274115
PUBCHEM_666	O=C(OCCCCO)C=C	C2478106
PUBCHEM_666	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_666	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_666	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_666	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_666	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_666	CC1COc2ccccc2N1	C32329207
PUBCHEM_666	O=c1n(CCOC(=O)C=C)c(=O)n(c(=O)n1CCOC(=O)C=C)CCOC(=O)C=C	C40220084
PUBCHEM_666	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_666	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_666	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_666	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_666	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_666	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_666	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_666	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_666	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_666	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_666	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_666	CCCCCc1ccco1	C3777693
PUBCHEM_668	Nc1ccccc1.Cl	C142041
PUBCHEM_668	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_668	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_668	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_668	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_668	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_668	CC(=O)OCc1ccccc1	C140114
PUBCHEM_668	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_668	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_668	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_668	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_668	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_668	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_668	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_668	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_668	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_668	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_668	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_668	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_668	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_668	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_668	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_668	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_668	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_668	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_668	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_668	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_668	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_668	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_668	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_668	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_668	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_668	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_668	c1cccc2[nH]ccc12	C120729
PUBCHEM_668	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_668	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_668	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_668	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_668	COc1ccc(cc1)O	C150765
PUBCHEM_668	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_668	C=Cc1ccc(cc1)C	C622979
PUBCHEM_668	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_668	NC(=O)c1cccnc1	C98920
PUBCHEM_668	OC(=O)c1cccnc1	C59676
PUBCHEM_668	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_668	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_668	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_668	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_668	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_668	Nc1ccc(cc1)N	C106503
PUBCHEM_668	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_668	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_668	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_668	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_668	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_668	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_668	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_668	Nc1ccccc1C.Cl	C636215
PUBCHEM_668	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_668	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_668	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_668	O=CCc1ccccc1	C122781
PUBCHEM_668	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_668	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_668	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_668	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_668	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_668	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_668	O=Cc1ccccc1O	C90028
PUBCHEM_668	Oc1cccc2ccccc12	C90153
PUBCHEM_668	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_668	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_668	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_668	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_668	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_668	Oc1ccc(Cl)cc1	C106489
PUBCHEM_668	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_668	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_668	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_668	Oc1ccc(CC)cc1	C123079
PUBCHEM_668	COc1ccc(OC)cc1	C150787
PUBCHEM_668	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_668	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_668	Oc1ccc(CCC)cc1	C645567
PUBCHEM_668	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_668	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_668	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_668	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_668	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_668	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_668	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_668	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_668	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_668	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_668	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_668	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_668	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_668	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_668	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_668	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_668	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_668	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_668	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_668	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_668	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_668	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_668	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_668	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_668	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_668	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_668	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_668	c1(c(CC)cccc1)O	C90006
PUBCHEM_668	c1c(O)cccc1CC	C620177
PUBCHEM_668	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_668	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_668	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_668	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_668	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_668	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_668	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_668	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_668	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_668	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_668	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_668	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_668	c1cccc(OC)c1O	C90051
PUBCHEM_668	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_668	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_668	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_668	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_668	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_668	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_668	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_668	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_668	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_668	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_668	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_668	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_668	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_668	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_668	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_668	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_668	Cc1cc(O)ccc1	C108394
PUBCHEM_668	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_668	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_668	c1ccc2ncsc2c1	C95169
PUBCHEM_668	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_668	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_668	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_668	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_668	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_668	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_668	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_668	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_668	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_668	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_668	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_668	Cc1c(C)cccc1O	C526750
PUBCHEM_668	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_668	C=Cc1ccccc1C=C	C1321740
PUBCHEM_668	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_668	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_668	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_668	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_668	c1c(CO)occ1	C98000
PUBCHEM_668	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_668	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_668	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_668	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_668	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_668	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_668	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_668	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_668	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_668	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_668	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_668	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_668	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_668	c12ccccc1CCCC2	C119642
PUBCHEM_668	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_668	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_668	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_668	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_668	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_668	Cc1cccc(C)c1	C108383
PUBCHEM_668	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_668	OCCc1ccccc1	C60128
PUBCHEM_668	O=C(O)c1ccccc1O	C69727
PUBCHEM_668	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_668	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_668	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_668	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_668	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_668	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_668	Sc1ccccc1	C108985
PUBCHEM_668	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_668	Oc1ccc2ccccc2c1	C135193
PUBCHEM_668	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_668	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_668	Brc1ccc(F)cc1	C460004
PUBCHEM_668	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_668	ClP(c1ccccc1)Cl	C644973
PUBCHEM_668	OC(C)COc1ccccc1	C770354
PUBCHEM_668	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_668	Nc1cccc(C)c1C	C1300738
PUBCHEM_668	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_668	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_668	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_668	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_668	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_668	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_668	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_668	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_668	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_668	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_668	Nc1c(C)cccc1CC	C24549062
PUBCHEM_668	Clc1cccc(C)c1	C25168052
PUBCHEM_668	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_668	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_668	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_668	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_668	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_668	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_668	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_668	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_668	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_668	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_668	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_668	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_668	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_668	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_668	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_668	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_668	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_668	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_668	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_668	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_668	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_668	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_668	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_668	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_668	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_668	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_668	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_668	OCn1nc(C)cc1C	C85264331
PUBCHEM_668	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_668	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_668	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_668	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_668	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_668	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_668	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_668	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_668	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_668	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_668	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_668	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_668	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_668	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_668	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_668	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_668	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_668	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_668	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_668	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_668	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_668	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_668	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_668	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_668	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_668	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_668	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_668	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_668	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_668	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_668	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_668	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_668	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_668	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_668	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_668	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_668	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_668	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_668	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_668	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_668	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_668	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_668	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_668	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_668	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_668	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_668	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_668	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_668	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_668	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_668	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_668	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_668	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_668	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_668	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_668	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_668	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_668	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_668	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_668	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_668	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_668	O=C(c1ccccc1O)C	C118934
PUBCHEM_668	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_668	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_668	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_668	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_668	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_668	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_668	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_668	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_668	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_668	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_668	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_668	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_668	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_668	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_668	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_668	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_668	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_668	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_668	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_668	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_668	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_668	Oc1ccccc1CN(C)C	C120650
PUBCHEM_668	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_668	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_668	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_668	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_668	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_668	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_668	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_668	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_668	OCC=Cc1ccccc1	C104541
PUBCHEM_668	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_668	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_668	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_668	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_668	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_668	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_668	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_668	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_668	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_668	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_668	N#Cc1c(O)cccc1	C611201
PUBCHEM_668	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_668	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_668	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_668	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_668	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_668	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_668	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_668	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_668	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_668	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_668	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_668	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_668	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_668	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_668	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_668	c12ccccc1CC=C2	C95136
PUBCHEM_668	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_668	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_668	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_668	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_668	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_668	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_668	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_668	Oc1c(OCC)cccc1	C94713
PUBCHEM_668	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_668	COc1ccc(CCC)cc1	C104450
PUBCHEM_668	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_668	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_668	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_668	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_668	OC(CO)c1ccccc1	C93561
PUBCHEM_668	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_668	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_668	O=C(N)Nc1ccccc1	C64108
PUBCHEM_668	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_668	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_668	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_668	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_668	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_668	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_668	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_668	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_668	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_668	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_668	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_668	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_668	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_668	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_668	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_668	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_668	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_668	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_668	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_668	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_668	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_668	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_668	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_668	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_668	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_668	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_668	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_668	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_668	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_668	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_668	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_668	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_668	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_668	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_668	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_668	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_668	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_668	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_668	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_668	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_668	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_668	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_668	Sc1ccc(C)cc1	C106456
PUBCHEM_668	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_668	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_668	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_668	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_668	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_668	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_668	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_668	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_668	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_668	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_668	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_668	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_668	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_668	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_668	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_668	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_668	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_668	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_668	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_668	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_668	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_668	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_668	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_668	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_668	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_668	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_668	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_668	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_668	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_668	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_668	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_668	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_668	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_668	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_668	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_668	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_668	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_668	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_668	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_668	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_668	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_668	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_668	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_668	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_668	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_668	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_668	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_668	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_668	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_668	c1ccccc1OCCO	C122996
PUBCHEM_668	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_668	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_668	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_668	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_668	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_668	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_668	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_668	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_668	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_668	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_668	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_668	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_668	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_668	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_668	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_668	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_668	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_668	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_668	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_668	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_668	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_668	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_668	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_668	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_668	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_668	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_668	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_668	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_668	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_668	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_668	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_668	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_668	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_668	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_668	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_668	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_668	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_668	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_668	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_668	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_668	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_668	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_668	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_668	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_668	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_668	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_668	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_668	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_668	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_668	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_668	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_668	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_668	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_668	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_668	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_668	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_668	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_668	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_668	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_668	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_668	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_668	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_668	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_668	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_668	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_668	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_668	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_668	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_668	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_668	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_668	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_668	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_668	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_668	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_668	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_668	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_668	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_668	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_668	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_668	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_668	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_668	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_668	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_668	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_668	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_668	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_668	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_668	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_668	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_668	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_668	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_668	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_668	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_668	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_668	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_668	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_668	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_668	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_668	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_668	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_668	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_668	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_668	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_668	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_668	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_668	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_668	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_668	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_668	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_668	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_668	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_668	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_668	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_668	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_668	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_668	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_668	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_668	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_668	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_668	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_668	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_668	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_668	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_668	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_668	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_668	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_668	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_668	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_668	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_668	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_668	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_668	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_668	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_668	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_668	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_668	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_668	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_668	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_668	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_668	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_668	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_668	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_668	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_668	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_668	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_668	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_668	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_668	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_668	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_668	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_668	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_668	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_668	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_668	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_668	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_668	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_668	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_668	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_668	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_668	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_668	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_668	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_668	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_668	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_668	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_668	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_668	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_668	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_668	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_668	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_668	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_668	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_668	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_668	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_668	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_668	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_668	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_668	c1coc2c1cccc2	C271896
PUBCHEM_668	OC(=O)c1ccccc1	C65850
PUBCHEM_668	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_668	OCc1ccccc1	C100516
PUBCHEM_668	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_668	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_668	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_668	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_668	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_668	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_668	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_668	Oc1c(cccc1)O	C120809
PUBCHEM_668	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_668	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_668	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_668	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_668	O=C(c1ccccc1)CCl	C532274
PUBCHEM_668	Nc1ccc(cc1)Cl	C106478
PUBCHEM_668	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_668	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_668	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_668	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_668	Nc1cc(ccc1OC)C	C120718
PUBCHEM_668	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_668	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_668	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_668	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_668	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_668	Clc1c(cccc1)Cl	C95501
PUBCHEM_668	Clc1ccc(cc1)Cl	C106467
PUBCHEM_668	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_668	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_668	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_668	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_668	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_668	CN(c1ccccc1)C	C121697
PUBCHEM_668	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_668	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_668	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_668	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_668	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_668	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_668	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_668	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_668	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_668	O=Cc1ccco1	C98011
PUBCHEM_668	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_668	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_668	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_668	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_668	Oc1ccc(cc1)O	C123319
PUBCHEM_668	Oc1cccc2cccnc12	C148243
PUBCHEM_668	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_668	O=C(c1ccncc1)NN	C54853
PUBCHEM_668	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_668	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_668	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_668	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_668	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_668	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_668	Cc1cc2cccnc2cc1	C91623
PUBCHEM_668	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_668	c1c2c(ccc1)cccc2	C91203
PUBCHEM_668	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_668	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_668	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_668	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_668	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_668	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_668	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_668	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_668	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_668	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_668	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_668	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_668	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_668	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_668	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_668	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_668	Oc1ccccc1	C108952
PUBCHEM_668	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_668	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_668	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_668	Nc1cc(ccc1)N	C108452
PUBCHEM_668	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_668	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_668	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_668	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_668	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_668	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_668	Oc1cc(ccc1)O	C108463
PUBCHEM_668	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_668	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_668	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_668	C1C(c2ccccc2)O1	C96093
PUBCHEM_668	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_668	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_668	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_668	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_668	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_668	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_668	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_668	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_668	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_668	Oc1ccccc1Cl	C95578
PUBCHEM_668	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_668	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_668	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_668	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_668	n1cccc2c1cccc2	C91225
PUBCHEM_668	CCN(CC)c1ccccc1	C91667
PUBCHEM_668	Oc1c(C)cccc1	C95487
PUBCHEM_668	c1ccccc1C(=O)C	C98862
PUBCHEM_668	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_668	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_668	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_668	CCNc1cc(C)ccc1	C102272
PUBCHEM_668	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_668	Oc1ccc(C)cc1	C106445
PUBCHEM_668	Nc1ccc(C)cc1	C106490
PUBCHEM_668	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_668	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_668	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_668	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_668	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_668	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_668	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_668	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_668	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_668	Clc1cc(Cl)ccc1	C541731
PUBCHEM_668	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_668	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_668	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_668	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_668	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_668	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_668	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_668	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_668	c1(CCCC)ccccc1	C104518
PUBCHEM_668	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_668	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_668	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_668	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_668	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_668	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_668	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_668	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_668	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_668	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_668	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_668	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_668	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_668	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_668	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_668	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_668	Nc1c(OC)cccc1	C90040
PUBCHEM_668	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_668	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_668	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_668	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_668	Cc1ccccc1Cl	C95498
PUBCHEM_668	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_668	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_668	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_668	Oc1c(cccc1C)C	C576261
PUBCHEM_668	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_668	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_668	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_668	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_668	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_668	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_668	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_668	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_668	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_668	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_668	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_668	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_668	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_668	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_668	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_668	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_668	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_668	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_668	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_668	Cc1ccc(Cl)cc1	C106434
PUBCHEM_668	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_668	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_668	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_668	Nc1cc(C)ccc1N	C496720
PUBCHEM_668	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_668	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_668	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_668	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_668	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_668	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_668	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_668	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_668	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_668	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_668	N(c1ccccc1)CC	C103695
PUBCHEM_668	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_668	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_668	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_668	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_668	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_668	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_668	Nc1c(N)cccc1	C95545
PUBCHEM_668	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_668	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_668	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_668	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_668	Nc1c(cccc1)C	C95534
PUBCHEM_668	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_668	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_668	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_668	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_668	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_668	Nc1c(cccc1C)C	C87627
PUBCHEM_668	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_668	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_668	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_668	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_668	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_668	N#Cc1cnccc1	C100549
PUBCHEM_668	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_668	Nc1cccc(C)c1	C108441
PUBCHEM_668	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_668	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_668	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_668	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_668	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_668	Nc1c(CC)cccc1CC	C579668
PUBCHEM_668	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_668	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_668	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_668	Nc1cccc(C)c1N	C2687254
PUBCHEM_668	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_668	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_668	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_668	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_668	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_668	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_668	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_668	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_668	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_668	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_668	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_668	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_668	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_668	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_668	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_668	O=Cc1ccccc1C=O	C643798
PUBCHEM_668	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_668	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_668	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_668	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_668	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_668	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_668	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_668	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_668	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_668	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_668	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_668	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_668	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_668	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_668	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_668	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_668	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_668	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_668	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_668	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_668	CCCc1ccccc1	C103651
PUBCHEM_668	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_668	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_668	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_668	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_668	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_668	CC(C)(C)c1ccccc1	C98066
PUBCHEM_668	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_668	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_668	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_668	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_668	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_668	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_668	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_668	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_668	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_668	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_668	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_668	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_668	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_668	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_668	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_668	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_668	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_668	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_668	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_668	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_668	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_668	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_668	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_668	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_668	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_668	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_668	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_668	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_668	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_668	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_668	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_668	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_668	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_668	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_668	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_668	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_668	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_668	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_668	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_668	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_668	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_668	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_668	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_668	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_668	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_668	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_668	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_668	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_668	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_668	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_668	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_668	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_668	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_668	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_668	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_668	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_668	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_668	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_668	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_668	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_668	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_668	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_668	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_668	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_668	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_668	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_668	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_668	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_668	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_668	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_668	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_668	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_668	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_668	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_668	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_668	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_668	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_668	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_668	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_668	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_668	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_668	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_668	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_668	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_668	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_668	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_668	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_668	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_668	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_668	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_668	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_668	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_668	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_668	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_668	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_668	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_668	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_668	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_668	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_668	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_668	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_668	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_668	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_668	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_668	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_668	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_668	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_668	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_668	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_668	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_668	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_668	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_668	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_668	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_668	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_668	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_668	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_668	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_668	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_668	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_668	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_668	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_668	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_668	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_668	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_668	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_668	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_668	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_668	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_668	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_668	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_668	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_668	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_668	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_668	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_668	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_668	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_668	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_668	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_668	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_668	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_668	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_668	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_668	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_668	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_668	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_668	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_668	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_668	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_668	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_668	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_668	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_668	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_668	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_668	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_668	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_668	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_668	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_668	O=C(OCC)c1ccccc1	C93890
PUBCHEM_668	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_668	NCc1cccc(CN)c1	C1477550
PUBCHEM_668	n1cc(C)ccc1	C108996
PUBCHEM_668	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_668	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_668	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_668	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_668	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_668	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_668	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_668	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_668	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_668	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_668	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_668	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_668	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_668	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_668	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_668	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_668	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_668	NNc1ccccc1.Cl	C59881
PUBCHEM_668	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_668	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_668	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_668	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_668	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_668	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_668	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_668	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_668	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_668	N#Cc1ccccc1	C100470
PUBCHEM_668	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_668	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_668	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_668	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_668	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_668	Nc1ccc(Br)cc1	C106401
PUBCHEM_668	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_668	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_668	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_668	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_668	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_668	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_668	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_668	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_668	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_668	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_668	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_668	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_668	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_668	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_668	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_668	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_668	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_668	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_668	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_668	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_668	Nc1ccc(OC)cc1	C104949
PUBCHEM_668	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_668	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_668	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_668	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_668	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_668	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_668	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_668	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_668	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_668	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_668	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_668	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_668	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_668	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_668	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_668	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_668	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_668	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_668	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_668	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_668	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_668	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_668	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_668	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_668	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_668	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_668	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_668	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_668	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_668	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_668	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_668	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_668	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_668	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_668	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_668	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_668	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_668	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_668	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_668	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_668	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_668	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_668	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_668	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_668	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_668	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_668	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_668	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_668	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_668	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_668	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_668	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_668	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_668	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_668	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_668	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_668	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_668	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_668	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_668	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_668	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_668	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_668	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_668	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_668	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_668	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_668	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_668	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_668	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_668	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_668	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_668	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_668	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_668	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_668	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_668	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_668	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_668	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_668	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_668	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_668	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_668	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_668	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_668	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_668	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_668	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_668	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_668	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_668	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_668	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_668	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_668	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_668	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_668	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_668	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_668	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_668	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_668	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_668	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_668	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_668	Cl[Hg]c1ccccc1	C100561
PUBCHEM_668	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_668	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_668	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_668	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_668	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_668	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_668	O=[As]c1ccccc1	C637036
PUBCHEM_668	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_668	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_668	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_668	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_668	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_668	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_668	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_668	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_668	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_668	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_668	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_668	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_668	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_668	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_668	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_668	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_668	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_668	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_668	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_668	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_668	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_668	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_668	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_668	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_668	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_668	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_668	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_668	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_668	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_668	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_668	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_668	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_668	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_668	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_668	Nc1cccc(C)n1	C1824813
PUBCHEM_668	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_668	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_668	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_668	CC1COc2ccccc2N1	C32329207
PUBCHEM_668	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_668	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_668	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_668	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_668	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_668	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_668	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_668	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_668	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_668	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_668	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_668	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_668	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_668	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_668	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_668	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_668	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_668	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_668	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_668	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_668	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_668	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_668	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_668	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_668	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_668	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_668	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_668	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_668	CCCCCc1ccco1	C3777693
PUBCHEM_668	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_669	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_669	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_669	Clc1c(Cl)ssc1=O	C1192525
PUBCHEM_669	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_669	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_669	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_669	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_669	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_669	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_669	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_669	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_669	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_669	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_669	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_669	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_669	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_669	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_669	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_669	O=c1n(C)sc(Cl)c1	C26172554
PUBCHEM_669	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_669	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_669	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_669	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_669	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_669	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_669	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_669	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_669	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_669	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_670	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_670	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_670	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_670	Brc1ccc(F)cc1	C460004
PUBCHEM_670	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_670	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_670	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_670	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_670	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_670	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_670	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_670	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_670	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_670	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_670	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_670	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_670	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_670	Nc1ccc(Br)cc1	C106401
PUBCHEM_670	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_670	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_670	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_670	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_670	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_670	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_670	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_670	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_670	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_670	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_671	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_671	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_671	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_671	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_671	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_671	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_671	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_671	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_671	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_671	NC(=O)c1cccnc1	C98920
PUBCHEM_671	OC(=O)c1cccnc1	C59676
PUBCHEM_671	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_671	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_671	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_671	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_671	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_671	O=C(O)/C=C\C(=O)O	C110167
PUBCHEM_671	OC(=O)/C=C/C(=O)O	C110178
PUBCHEM_671	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_671	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_671	O=Cc1ccccc1O	C90028
PUBCHEM_671	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_671	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_671	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_671	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_671	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_671	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_671	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_671	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_671	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_671	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_671	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_671	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_671	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_671	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_671	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_671	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_671	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_671	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_671	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_671	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_671	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_671	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_671	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_671	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_671	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_671	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_671	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_671	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_671	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_671	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_671	CCC(=CCCC)C=O	C645625
PUBCHEM_671	c1c(CO)occ1	C98000
PUBCHEM_671	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_671	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_671	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_671	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_671	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_671	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_671	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_671	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_671	O=C(O)c1ccccc1O	C69727
PUBCHEM_671	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_671	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_671	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_671	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_671	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_671	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_671	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_671	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_671	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_671	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_671	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_671	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_671	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_671	O=C(C=C(C)C)C	C141797
PUBCHEM_671	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_671	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_671	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_671	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_671	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_671	O=S1(=O)[N-]C(=O)C=C(O1)C.[K+]	C55589623
PUBCHEM_671	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_671	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_671	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_671	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_671	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_671	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_671	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_671	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_671	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_671	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_671	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_671	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_671	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_671	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_671	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_671	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_671	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_671	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_671	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_671	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_671	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_671	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_671	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_671	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_671	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_671	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_671	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_671	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_671	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_671	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_671	O=C(c1ccccc1O)C	C118934
PUBCHEM_671	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_671	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_671	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_671	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_671	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_671	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_671	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_671	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_671	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_671	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_671	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_671	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_671	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_671	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_671	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_671	O=C/C=C/CCC	C6728263
PUBCHEM_671	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_671	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_671	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_671	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_671	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_671	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_671	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_671	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_671	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_671	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_671	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_671	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_671	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_671	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_671	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_671	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_671	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_671	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_671	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_671	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_671	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_671	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_671	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_671	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_671	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_671	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_671	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_671	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_671	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_671	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_671	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_671	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_671	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_671	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_671	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_671	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_671	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_671	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_671	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_671	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_671	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_671	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_671	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_671	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_671	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_671	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_671	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_671	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_671	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_671	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_671	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_671	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_671	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_671	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_671	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_671	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_671	O=P(O/C(=C/C(=O)N(C)C)/C)(OC)OC	C141662
PUBCHEM_671	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_671	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_671	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_671	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_671	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_671	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_671	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_671	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_671	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_671	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_671	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_671	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_671	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_671	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_671	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_671	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_671	S=P(NCC)(OC)O/C(=C/C(=O)OC(C)C)/C	C31218834
PUBCHEM_671	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_671	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_671	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_671	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_671	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_671	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_671	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_671	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_671	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_671	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_671	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_671	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_671	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_671	CC(=CC(=O)OC)OP(=O)(OC)OC	C7786347
PUBCHEM_671	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_671	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_671	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_671	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_671	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_671	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_671	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_671	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_671	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_671	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_671	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_671	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_671	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_671	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_671	O=P(OC)(OC)O/C(=C/C(=O)NC)/C	C6923224
PUBCHEM_671	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_671	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_671	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_671	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_671	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_671	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_671	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_671	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_671	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_671	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_671	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_671	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_671	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_671	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_671	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_671	c1coc2c1cccc2	C271896
PUBCHEM_671	OC(=O)c1ccccc1	C65850
PUBCHEM_671	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_671	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_671	O=C(c1ccccc1)CCl	C532274
PUBCHEM_671	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_671	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_671	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_671	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_671	O=Cc1ccco1	C98011
PUBCHEM_671	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_671	O=C(c1ccncc1)NN	C54853
PUBCHEM_671	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_671	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_671	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_671	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_671	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_671	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_671	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_671	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_671	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_671	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_671	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_671	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_671	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_671	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_671	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_671	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_671	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_671	OC(=O)C=CC=CC	C110441
PUBCHEM_671	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_671	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_671	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_671	c1ccccc1C(=O)C	C98862
PUBCHEM_671	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_671	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_671	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_671	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_671	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_671	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_671	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_671	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_671	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_671	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_671	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_671	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_671	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_671	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_671	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_671	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_671	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_671	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_671	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_671	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_671	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_671	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_671	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_671	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_671	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_671	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_671	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_671	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_671	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_671	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_671	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_671	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_671	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_671	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_671	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_671	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_671	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_671	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_671	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_671	O=Cc1ccccc1C=O	C643798
PUBCHEM_671	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_671	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_671	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_671	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_671	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_671	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_671	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_671	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_671	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_671	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_671	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_671	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_671	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_671	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_671	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_671	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_671	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_671	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_671	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_671	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_671	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_671	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_671	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_671	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_671	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_671	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_671	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_671	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_671	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_671	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_671	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_671	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_671	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_671	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_671	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_671	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_671	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_671	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_671	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_671	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_671	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_671	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_671	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_671	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_671	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_671	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_671	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_671	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_671	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_671	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_671	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_671	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_671	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_671	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_671	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_671	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_671	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_671	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_671	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_671	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_671	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_671	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_671	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_671	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_671	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_671	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_671	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_671	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_671	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_671	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_671	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_671	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_671	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_671	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_671	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_671	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_671	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_671	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_671	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_671	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_671	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_671	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_671	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_671	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_671	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_671	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_671	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_671	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_671	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_671	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_671	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_671	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_671	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_671	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_671	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_671	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_671	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_671	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_671	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_671	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_671	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_671	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_671	O=C(OCC)c1ccccc1	C93890
PUBCHEM_671	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_671	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_671	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_671	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_671	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_671	O=C(/C=C\C(=O)OCC)OCC	C141059
PUBCHEM_671	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_671	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_671	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_671	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_671	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_671	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_671	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_671	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_671	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_671	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_671	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_671	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_671	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_671	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_671	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_671	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_671	O=CC=CC=CCCCCC	C25152845
PUBCHEM_671	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_671	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_671	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_671	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_671	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_671	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_671	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_671	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_671	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_671	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_671	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_671	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_671	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_671	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_671	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_671	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_671	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_671	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_671	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_671	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_671	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_671	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_671	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_671	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_671	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_671	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_671	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_671	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_671	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_671	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_671	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_671	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_671	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_671	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_671	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_671	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_671	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_671	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_671	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_671	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_671	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_671	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_671	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_671	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_671	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_671	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_671	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_671	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_671	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_671	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_671	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_671	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_671	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_671	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_671	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_671	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_671	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_671	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_671	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_671	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_671	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_671	O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O	C26921175
PUBCHEM_671	CCCCCc1ccco1	C3777693
PUBCHEM_671	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_673	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_673	NC(=O)c1cccnc1	C98920
PUBCHEM_673	OC(=O)c1cccnc1	C59676
PUBCHEM_673	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_673	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_673	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_673	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_673	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_673	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_673	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_673	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_673	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_673	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_673	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_673	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_673	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_673	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_673	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_673	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_673	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_673	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_673	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_673	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_673	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_673	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_673	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_673	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_673	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_673	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_673	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_673	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_673	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_673	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_673	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_673	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_673	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_673	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_673	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_673	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_673	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_673	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_673	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_673	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_673	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_673	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_673	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_673	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_673	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_673	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_673	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_673	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_673	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_673	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_673	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_673	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_673	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_673	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_673	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_673	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_673	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_673	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_673	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_673	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_673	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_673	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_673	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_673	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_673	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_673	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_673	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_673	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_673	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_673	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_673	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_673	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_673	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_673	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_673	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_673	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_673	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_673	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_673	O=c1cc(C)o[nH]1	C10004441
PUBCHEM_673	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_673	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_673	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_673	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_673	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_674	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_674	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_674	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_674	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_674	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_674	n1c[nH]cc1	C288324
PUBCHEM_674	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_674	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_674	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_674	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_674	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_674	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_674	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_674	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_674	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_674	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_674	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_674	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_674	O=C(N)Nc1ccccc1	C64108
PUBCHEM_674	[O-][N+](=O)c1cnc(COC(=O)N)n1C	C7681767
PUBCHEM_674	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_674	S=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	C333415
PUBCHEM_674	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_674	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_674	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_674	Brc1c(C)[nH]c(=O)n(C(C)CC)c1=O	C314409
PUBCHEM_674	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_674	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_674	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_674	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_674	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	C29232937
PUBCHEM_674	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_674	O=c1[nH]c(C)c(Cl)c(=O)n1C(C)(C)C	C5902512
PUBCHEM_674	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_674	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_674	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_674	S=P(OCC)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	C96182535
PUBCHEM_674	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_674	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_674	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_674	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_674	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_674	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_674	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_674	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_674	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_674	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_674	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_674	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_674	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_674	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_674	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_674	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_674	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_674	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_674	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_674	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_674	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_674	O=P(OCC)(Oc1nc(C(C)C)nc(C)c1)OCC	C962583
PUBCHEM_674	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_674	[O-][N+](=O)c1ncn(c1Sc1ncnc2c1[nH]cn2)C	C446866
PUBCHEM_674	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_674	O=c1c2c(ncn2C)n(c(=O)n1C)C	C58082
PUBCHEM_674	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_674	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_674	O=c1c(c[nH]c(=O)[nH]1)F	C51218
PUBCHEM_674	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_674	[nH]1c(=S)n(cc1)C	C60560
PUBCHEM_674	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_674	Cc1cc(=O)[nH]c(=S)[nH]1	C56042
PUBCHEM_674	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_674	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_674	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_674	O=c1c2nc[nH]c2n(C)c(=O)n1C	C58559
PUBCHEM_674	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_674	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_674	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_674	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_674	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_674	S=c1c2c(nc[nH]2)nc(N)[nH]1	C154427
PUBCHEM_674	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_674	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_674	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_674	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_674	[nH]1c(=O)n(C)c2ncn(C)c2c1=O	C83670
PUBCHEM_674	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_674	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_674	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_674	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_674	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_674	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_674	O[C@H](C)c1nc(N2[C@@H](C)CN(c3nc(C)nc(C)n3)C[C@H]2C)ccn1	CNOCAS47267
PUBCHEM_674	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_674	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_674	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_674	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_674	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_674	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_674	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_674	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_674	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_674	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_674	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_674	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_674	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_674	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_674	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_674	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_674	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_674	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_674	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_674	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_674	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_674	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_674	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_674	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_674	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_674	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_674	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_674	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_674	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_674	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_674	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_674	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_674	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_674	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_674	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_674	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_674	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_674	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_674	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_674	O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C	C100784201
PUBCHEM_674	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_674	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_674	O=[N+](c1cnc(s1)N)[O-]	C121664
PUBCHEM_674	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_674	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_674	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_674	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_674	[C@@H]1(O[C@H](CS1)n1c(=O)nc(cc1)N)CO	C134678174
PUBCHEM_674	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_674	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_674	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_674	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_674	CCCCn1c[n+](C)cc1.[Cl-]	C79917901
PUBCHEM_674	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_674	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_674	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_674	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_674	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_674	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_674	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_674	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_674	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_674	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_674	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_674	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_674	Nc1cccc(C)n1	C1824813
PUBCHEM_674	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_674	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_675	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_675	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_675	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_675	Brc1ccc(F)cc1	C460004
PUBCHEM_675	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_675	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_675	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_675	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_675	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_675	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_675	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_675	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_675	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_675	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_675	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_675	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_675	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_675	Nc1ccc(Br)cc1	C106401
PUBCHEM_675	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_675	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_675	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_675	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_675	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_675	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_675	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_675	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_675	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_675	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_676	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_676	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_676	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_676	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_676	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_676	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_676	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_676	N#CC(CCC#N)C	C4553622
PUBCHEM_676	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_676	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_676	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_676	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_676	N#Cc1c(O)cccc1	C611201
PUBCHEM_676	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_676	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_676	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_676	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_676	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_676	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_676	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_676	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_676	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_676	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_676	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_676	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_676	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_676	N#CCCCCC#N	C111693
PUBCHEM_676	N#Cc1cnccc1	C100549
PUBCHEM_676	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_676	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_676	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_676	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_676	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_676	N#Cc1ccccc1	C100470
PUBCHEM_676	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_676	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_676	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_676	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_676	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_676	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_676	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_676	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_677	Nc1ccccc1.Cl	C142041
PUBCHEM_677	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_677	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_677	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_677	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_677	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_677	CC(=O)OCc1ccccc1	C140114
PUBCHEM_677	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_677	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_677	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_677	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_677	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_677	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_677	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_677	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_677	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_677	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_677	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_677	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_677	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_677	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_677	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_677	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_677	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_677	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_677	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_677	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_677	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_677	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_677	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_677	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_677	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_677	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_677	c1cccc2[nH]ccc12	C120729
PUBCHEM_677	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_677	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_677	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_677	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_677	COc1ccc(cc1)O	C150765
PUBCHEM_677	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_677	C=Cc1ccc(cc1)C	C622979
PUBCHEM_677	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_677	NC(=O)c1cccnc1	C98920
PUBCHEM_677	OC(=O)c1cccnc1	C59676
PUBCHEM_677	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_677	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_677	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_677	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_677	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_677	Nc1ccc(cc1)N	C106503
PUBCHEM_677	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_677	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_677	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_677	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_677	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_677	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_677	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_677	Nc1ccccc1C.Cl	C636215
PUBCHEM_677	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_677	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_677	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_677	O=CCc1ccccc1	C122781
PUBCHEM_677	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_677	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_677	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_677	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_677	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_677	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_677	O=Cc1ccccc1O	C90028
PUBCHEM_677	Oc1cccc2ccccc12	C90153
PUBCHEM_677	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_677	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_677	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_677	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_677	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_677	Oc1ccc(Cl)cc1	C106489
PUBCHEM_677	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_677	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_677	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_677	Oc1ccc(CC)cc1	C123079
PUBCHEM_677	COc1ccc(OC)cc1	C150787
PUBCHEM_677	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_677	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_677	Oc1ccc(CCC)cc1	C645567
PUBCHEM_677	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_677	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_677	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_677	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_677	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_677	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_677	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_677	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_677	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_677	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_677	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_677	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_677	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_677	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_677	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_677	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_677	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_677	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_677	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_677	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_677	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_677	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_677	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_677	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_677	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_677	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_677	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_677	c1(c(CC)cccc1)O	C90006
PUBCHEM_677	c1c(O)cccc1CC	C620177
PUBCHEM_677	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_677	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_677	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_677	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_677	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_677	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_677	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_677	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_677	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_677	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_677	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_677	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_677	c1cccc(OC)c1O	C90051
PUBCHEM_677	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_677	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_677	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_677	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_677	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_677	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_677	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_677	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_677	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_677	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_677	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_677	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_677	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_677	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_677	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_677	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_677	Cc1cc(O)ccc1	C108394
PUBCHEM_677	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_677	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_677	c1ccc2ncsc2c1	C95169
PUBCHEM_677	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_677	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_677	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_677	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_677	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_677	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_677	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_677	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_677	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_677	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_677	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_677	Cc1c(C)cccc1O	C526750
PUBCHEM_677	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_677	C=Cc1ccccc1C=C	C1321740
PUBCHEM_677	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_677	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_677	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_677	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_677	c1c(CO)occ1	C98000
PUBCHEM_677	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_677	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_677	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_677	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_677	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_677	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_677	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_677	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_677	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_677	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_677	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_677	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_677	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_677	c12ccccc1CCCC2	C119642
PUBCHEM_677	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_677	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_677	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_677	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_677	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_677	Cc1cccc(C)c1	C108383
PUBCHEM_677	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_677	OCCc1ccccc1	C60128
PUBCHEM_677	O=C(O)c1ccccc1O	C69727
PUBCHEM_677	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_677	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_677	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_677	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_677	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_677	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_677	Sc1ccccc1	C108985
PUBCHEM_677	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_677	Oc1ccc2ccccc2c1	C135193
PUBCHEM_677	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_677	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_677	Brc1ccc(F)cc1	C460004
PUBCHEM_677	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_677	ClP(c1ccccc1)Cl	C644973
PUBCHEM_677	OC(C)COc1ccccc1	C770354
PUBCHEM_677	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_677	Nc1cccc(C)c1C	C1300738
PUBCHEM_677	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_677	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_677	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_677	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_677	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_677	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_677	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_677	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_677	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_677	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_677	Nc1c(C)cccc1CC	C24549062
PUBCHEM_677	Clc1cccc(C)c1	C25168052
PUBCHEM_677	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_677	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_677	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_677	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_677	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_677	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_677	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_677	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_677	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_677	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_677	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_677	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_677	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_677	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_677	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_677	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_677	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_677	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_677	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_677	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_677	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_677	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_677	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_677	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_677	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_677	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_677	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_677	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_677	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_677	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_677	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_677	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_677	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_677	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_677	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_677	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_677	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_677	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_677	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_677	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_677	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_677	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_677	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_677	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_677	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_677	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_677	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_677	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_677	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_677	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_677	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_677	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_677	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_677	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_677	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_677	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_677	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_677	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_677	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_677	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_677	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_677	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_677	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_677	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_677	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_677	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_677	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_677	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_677	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_677	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_677	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_677	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_677	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_677	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_677	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_677	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_677	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_677	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_677	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_677	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_677	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_677	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_677	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_677	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_677	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_677	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_677	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_677	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_677	O=C(c1ccccc1O)C	C118934
PUBCHEM_677	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_677	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_677	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_677	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_677	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_677	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_677	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_677	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_677	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_677	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_677	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_677	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_677	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_677	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_677	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_677	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_677	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_677	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_677	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_677	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_677	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_677	Oc1ccccc1CN(C)C	C120650
PUBCHEM_677	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_677	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_677	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_677	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_677	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_677	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_677	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_677	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_677	OCC=Cc1ccccc1	C104541
PUBCHEM_677	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_677	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_677	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_677	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_677	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_677	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_677	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_677	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_677	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_677	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_677	N#Cc1c(O)cccc1	C611201
PUBCHEM_677	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_677	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_677	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_677	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_677	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_677	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_677	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_677	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_677	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_677	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_677	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_677	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_677	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_677	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_677	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_677	c12ccccc1CC=C2	C95136
PUBCHEM_677	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_677	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_677	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_677	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_677	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_677	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_677	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_677	Oc1c(OCC)cccc1	C94713
PUBCHEM_677	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_677	COc1ccc(CCC)cc1	C104450
PUBCHEM_677	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_677	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_677	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_677	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_677	OC(CO)c1ccccc1	C93561
PUBCHEM_677	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_677	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_677	O=C(N)Nc1ccccc1	C64108
PUBCHEM_677	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_677	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_677	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_677	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_677	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_677	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_677	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_677	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_677	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_677	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_677	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_677	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_677	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_677	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_677	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_677	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_677	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_677	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_677	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_677	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_677	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_677	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_677	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_677	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_677	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_677	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_677	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_677	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_677	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_677	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_677	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_677	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_677	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_677	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_677	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_677	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_677	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_677	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_677	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_677	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_677	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_677	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_677	Sc1ccc(C)cc1	C106456
PUBCHEM_677	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_677	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_677	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_677	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_677	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_677	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_677	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_677	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_677	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_677	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_677	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_677	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_677	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_677	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_677	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_677	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_677	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_677	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_677	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_677	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_677	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_677	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_677	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_677	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_677	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_677	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_677	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_677	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_677	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_677	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_677	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_677	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_677	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_677	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_677	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_677	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_677	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_677	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_677	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_677	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_677	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_677	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_677	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_677	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_677	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_677	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_677	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_677	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_677	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_677	c1ccccc1OCCO	C122996
PUBCHEM_677	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_677	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_677	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_677	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_677	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_677	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_677	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_677	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_677	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_677	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_677	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_677	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_677	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_677	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_677	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_677	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_677	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_677	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_677	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_677	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_677	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_677	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_677	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_677	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_677	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_677	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_677	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_677	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_677	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_677	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_677	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_677	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_677	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_677	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_677	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_677	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_677	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_677	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_677	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_677	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_677	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_677	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_677	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_677	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_677	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_677	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_677	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_677	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_677	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_677	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_677	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_677	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_677	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_677	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_677	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_677	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_677	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_677	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_677	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_677	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_677	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_677	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_677	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_677	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_677	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_677	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_677	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_677	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_677	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_677	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_677	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_677	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_677	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_677	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_677	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_677	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_677	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_677	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_677	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_677	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_677	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_677	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_677	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_677	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_677	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_677	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_677	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_677	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_677	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_677	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_677	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_677	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_677	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_677	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_677	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_677	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_677	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_677	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_677	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_677	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_677	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_677	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_677	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_677	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_677	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_677	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_677	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_677	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_677	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_677	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_677	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_677	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_677	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_677	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_677	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_677	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_677	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_677	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_677	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_677	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_677	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_677	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_677	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_677	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_677	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_677	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_677	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_677	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_677	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_677	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_677	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_677	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_677	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_677	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_677	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_677	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_677	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_677	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_677	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_677	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_677	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_677	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_677	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_677	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_677	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_677	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_677	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_677	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_677	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_677	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_677	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_677	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_677	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_677	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_677	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_677	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_677	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_677	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_677	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_677	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_677	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_677	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_677	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_677	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_677	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_677	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_677	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_677	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_677	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_677	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_677	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_677	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_677	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_677	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_677	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_677	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_677	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_677	c1coc2c1cccc2	C271896
PUBCHEM_677	OC(=O)c1ccccc1	C65850
PUBCHEM_677	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_677	OCc1ccccc1	C100516
PUBCHEM_677	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_677	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_677	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_677	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_677	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_677	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_677	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_677	Oc1c(cccc1)O	C120809
PUBCHEM_677	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_677	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_677	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_677	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_677	O=C(c1ccccc1)CCl	C532274
PUBCHEM_677	Nc1ccc(cc1)Cl	C106478
PUBCHEM_677	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_677	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_677	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_677	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_677	Nc1cc(ccc1OC)C	C120718
PUBCHEM_677	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_677	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_677	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_677	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_677	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_677	Clc1c(cccc1)Cl	C95501
PUBCHEM_677	Clc1ccc(cc1)Cl	C106467
PUBCHEM_677	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_677	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_677	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_677	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_677	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_677	CN(c1ccccc1)C	C121697
PUBCHEM_677	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_677	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_677	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_677	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_677	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_677	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_677	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_677	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_677	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_677	O=Cc1ccco1	C98011
PUBCHEM_677	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_677	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_677	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_677	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_677	Oc1ccc(cc1)O	C123319
PUBCHEM_677	Oc1cccc2cccnc12	C148243
PUBCHEM_677	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_677	O=C(c1ccncc1)NN	C54853
PUBCHEM_677	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_677	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_677	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_677	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_677	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_677	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_677	Cc1cc2cccnc2cc1	C91623
PUBCHEM_677	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_677	c1c2c(ccc1)cccc2	C91203
PUBCHEM_677	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_677	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_677	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_677	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_677	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_677	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_677	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_677	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_677	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_677	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_677	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_677	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_677	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_677	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_677	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_677	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_677	Oc1ccccc1	C108952
PUBCHEM_677	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_677	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_677	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_677	Nc1cc(ccc1)N	C108452
PUBCHEM_677	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_677	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_677	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_677	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_677	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_677	Oc1cc(ccc1)O	C108463
PUBCHEM_677	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_677	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_677	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_677	C1C(c2ccccc2)O1	C96093
PUBCHEM_677	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_677	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_677	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_677	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_677	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_677	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_677	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_677	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_677	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_677	Oc1ccccc1Cl	C95578
PUBCHEM_677	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_677	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_677	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_677	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_677	n1cccc2c1cccc2	C91225
PUBCHEM_677	CCN(CC)c1ccccc1	C91667
PUBCHEM_677	Oc1c(C)cccc1	C95487
PUBCHEM_677	c1ccccc1C(=O)C	C98862
PUBCHEM_677	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_677	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_677	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_677	CCNc1cc(C)ccc1	C102272
PUBCHEM_677	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_677	Oc1ccc(C)cc1	C106445
PUBCHEM_677	Nc1ccc(C)cc1	C106490
PUBCHEM_677	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_677	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_677	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_677	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_677	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_677	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_677	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_677	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_677	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_677	Clc1cc(Cl)ccc1	C541731
PUBCHEM_677	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_677	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_677	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_677	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_677	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_677	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_677	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_677	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_677	c1(CCCC)ccccc1	C104518
PUBCHEM_677	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_677	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_677	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_677	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_677	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_677	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_677	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_677	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_677	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_677	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_677	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_677	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_677	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_677	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_677	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_677	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_677	Nc1c(OC)cccc1	C90040
PUBCHEM_677	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_677	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_677	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_677	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_677	Cc1ccccc1Cl	C95498
PUBCHEM_677	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_677	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_677	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_677	Oc1c(cccc1C)C	C576261
PUBCHEM_677	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_677	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_677	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_677	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_677	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_677	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_677	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_677	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_677	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_677	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_677	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_677	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_677	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_677	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_677	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_677	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_677	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_677	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_677	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_677	Cc1ccc(Cl)cc1	C106434
PUBCHEM_677	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_677	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_677	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_677	Nc1cc(C)ccc1N	C496720
PUBCHEM_677	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_677	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_677	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_677	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_677	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_677	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_677	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_677	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_677	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_677	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_677	N(c1ccccc1)CC	C103695
PUBCHEM_677	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_677	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_677	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_677	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_677	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_677	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_677	Nc1c(N)cccc1	C95545
PUBCHEM_677	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_677	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_677	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_677	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_677	Nc1c(cccc1)C	C95534
PUBCHEM_677	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_677	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_677	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_677	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_677	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_677	Nc1c(cccc1C)C	C87627
PUBCHEM_677	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_677	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_677	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_677	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_677	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_677	N#Cc1cnccc1	C100549
PUBCHEM_677	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_677	Nc1cccc(C)c1	C108441
PUBCHEM_677	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_677	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_677	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_677	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_677	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_677	Nc1c(CC)cccc1CC	C579668
PUBCHEM_677	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_677	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_677	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_677	Nc1cccc(C)c1N	C2687254
PUBCHEM_677	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_677	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_677	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_677	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_677	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_677	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_677	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_677	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_677	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_677	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_677	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_677	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_677	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_677	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_677	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_677	O=Cc1ccccc1C=O	C643798
PUBCHEM_677	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_677	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_677	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_677	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_677	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_677	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_677	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_677	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_677	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_677	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_677	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_677	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_677	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_677	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_677	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_677	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_677	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_677	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_677	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_677	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_677	CCCc1ccccc1	C103651
PUBCHEM_677	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_677	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_677	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_677	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_677	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_677	CC(C)(C)c1ccccc1	C98066
PUBCHEM_677	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_677	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_677	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_677	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_677	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_677	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_677	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_677	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_677	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_677	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_677	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_677	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_677	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_677	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_677	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_677	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_677	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_677	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_677	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_677	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_677	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_677	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_677	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_677	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_677	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_677	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_677	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_677	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_677	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_677	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_677	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_677	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_677	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_677	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_677	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_677	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_677	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_677	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_677	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_677	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_677	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_677	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_677	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_677	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_677	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_677	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_677	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_677	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_677	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_677	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_677	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_677	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_677	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_677	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_677	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_677	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_677	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_677	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_677	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_677	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_677	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_677	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_677	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_677	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_677	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_677	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_677	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_677	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_677	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_677	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_677	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_677	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_677	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_677	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_677	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_677	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_677	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_677	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_677	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_677	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_677	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_677	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_677	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_677	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_677	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_677	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_677	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_677	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_677	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_677	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_677	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_677	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_677	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_677	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_677	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_677	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_677	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_677	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_677	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_677	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_677	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_677	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_677	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_677	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_677	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_677	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_677	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_677	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_677	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_677	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_677	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_677	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_677	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_677	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_677	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_677	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_677	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_677	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_677	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_677	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_677	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_677	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_677	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_677	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_677	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_677	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_677	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_677	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_677	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_677	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_677	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_677	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_677	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_677	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_677	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_677	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_677	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_677	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_677	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_677	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_677	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_677	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_677	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_677	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_677	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_677	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_677	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_677	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_677	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_677	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_677	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_677	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_677	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_677	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_677	O=C(OCC)c1ccccc1	C93890
PUBCHEM_677	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_677	NCc1cccc(CN)c1	C1477550
PUBCHEM_677	n1cc(C)ccc1	C108996
PUBCHEM_677	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_677	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_677	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_677	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_677	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_677	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_677	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_677	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_677	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_677	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_677	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_677	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_677	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_677	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_677	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_677	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_677	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_677	NNc1ccccc1.Cl	C59881
PUBCHEM_677	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_677	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_677	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_677	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_677	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_677	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_677	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_677	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_677	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_677	N#Cc1ccccc1	C100470
PUBCHEM_677	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_677	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_677	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_677	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_677	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_677	Nc1ccc(Br)cc1	C106401
PUBCHEM_677	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_677	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_677	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_677	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_677	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_677	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_677	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_677	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_677	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_677	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_677	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_677	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_677	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_677	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_677	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_677	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_677	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_677	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_677	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_677	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_677	Nc1ccc(OC)cc1	C104949
PUBCHEM_677	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_677	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_677	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_677	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_677	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_677	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_677	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_677	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_677	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_677	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_677	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_677	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_677	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_677	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_677	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_677	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_677	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_677	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_677	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_677	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_677	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_677	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_677	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_677	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_677	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_677	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_677	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_677	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_677	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_677	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_677	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_677	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_677	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_677	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_677	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_677	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_677	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_677	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_677	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_677	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_677	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_677	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_677	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_677	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_677	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_677	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_677	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_677	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_677	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_677	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_677	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_677	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_677	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_677	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_677	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_677	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_677	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_677	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_677	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_677	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_677	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_677	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_677	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_677	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_677	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_677	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_677	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_677	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_677	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_677	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_677	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_677	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_677	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_677	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_677	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_677	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_677	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_677	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_677	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_677	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_677	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_677	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_677	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_677	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_677	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_677	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_677	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_677	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_677	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_677	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_677	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_677	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_677	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_677	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_677	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_677	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_677	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_677	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_677	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_677	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_677	Cl[Hg]c1ccccc1	C100561
PUBCHEM_677	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_677	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_677	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_677	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_677	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_677	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_677	O=[As]c1ccccc1	C637036
PUBCHEM_677	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_677	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_677	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_677	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_677	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_677	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_677	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_677	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_677	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_677	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_677	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_677	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_677	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_677	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_677	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_677	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_677	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_677	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_677	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_677	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_677	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_677	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_677	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_677	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_677	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_677	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_677	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_677	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_677	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_677	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_677	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_677	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_677	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_677	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_677	Nc1cccc(C)n1	C1824813
PUBCHEM_677	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_677	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_677	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_677	CC1COc2ccccc2N1	C32329207
PUBCHEM_677	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_677	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_677	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_677	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_677	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_677	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_677	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_677	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_677	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_677	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_677	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_677	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_677	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_677	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_677	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_677	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_677	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_677	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_677	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_677	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_677	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_677	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_677	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_677	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_677	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_677	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_677	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_677	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_677	CCCCCc1ccco1	C3777693
PUBCHEM_677	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_678	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_678	Nc1ccccc1.Cl	C142041
PUBCHEM_678	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_678	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_678	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_678	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_678	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_678	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_678	CC(=O)OCc1ccccc1	C140114
PUBCHEM_678	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_678	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_678	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_678	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_678	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_678	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_678	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_678	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_678	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_678	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_678	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_678	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_678	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_678	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_678	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_678	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_678	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_678	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_678	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_678	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_678	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_678	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_678	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_678	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_678	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_678	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_678	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_678	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_678	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_678	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_678	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_678	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	C77474
PUBCHEM_678	c1cccc2[nH]ccc12	C120729
PUBCHEM_678	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_678	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_678	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_678	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_678	COc1ccc(cc1)O	C150765
PUBCHEM_678	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_678	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_678	C=Cc1ccc(cc1)C	C622979
PUBCHEM_678	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_678	NC(=O)c1cccnc1	C98920
PUBCHEM_678	OC(=O)c1cccnc1	C59676
PUBCHEM_678	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_678	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_678	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_678	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_678	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_678	Nc1ccc(cc1)N	C106503
PUBCHEM_678	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_678	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_678	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_678	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_678	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_678	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_678	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_678	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_678	Nc1ccccc1C.Cl	C636215
PUBCHEM_678	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_678	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_678	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_678	O=CCc1ccccc1	C122781
PUBCHEM_678	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_678	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_678	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_678	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_678	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_678	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_678	O=Cc1ccccc1O	C90028
PUBCHEM_678	Oc1cccc2ccccc12	C90153
PUBCHEM_678	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_678	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_678	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_678	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_678	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_678	Oc1ccc(Cl)cc1	C106489
PUBCHEM_678	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_678	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_678	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_678	Oc1ccc(CC)cc1	C123079
PUBCHEM_678	COc1ccc(OC)cc1	C150787
PUBCHEM_678	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_678	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_678	Oc1ccc(CCC)cc1	C645567
PUBCHEM_678	CC/C=C\CCO	C928961
PUBCHEM_678	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_678	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_678	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_678	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_678	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_678	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_678	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_678	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_678	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_678	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_678	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_678	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_678	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_678	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_678	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_678	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_678	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_678	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_678	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_678	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_678	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_678	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_678	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_678	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_678	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_678	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_678	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_678	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_678	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_678	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_678	c1(c(CC)cccc1)O	C90006
PUBCHEM_678	c1c(O)cccc1CC	C620177
PUBCHEM_678	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_678	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_678	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_678	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_678	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_678	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_678	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_678	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_678	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_678	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_678	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_678	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_678	c1cccc(OC)c1O	C90051
PUBCHEM_678	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_678	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_678	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_678	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_678	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_678	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_678	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_678	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_678	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_678	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_678	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_678	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_678	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_678	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_678	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_678	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_678	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_678	Cc1cc(O)ccc1	C108394
PUBCHEM_678	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_678	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_678	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_678	c1ccc2ncsc2c1	C95169
PUBCHEM_678	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_678	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_678	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_678	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_678	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_678	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_678	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_678	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_678	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_678	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_678	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_678	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_678	Cc1c(C)cccc1O	C526750
PUBCHEM_678	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_678	C=Cc1ccccc1C=C	C1321740
PUBCHEM_678	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_678	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_678	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_678	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_678	CCC(=CCCC)C=O	C645625
PUBCHEM_678	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_678	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_678	c1c(CO)occ1	C98000
PUBCHEM_678	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_678	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_678	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_678	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_678	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_678	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_678	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_678	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_678	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_678	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_678	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_678	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_678	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_678	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_678	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_678	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_678	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_678	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_678	c12ccccc1CCCC2	C119642
PUBCHEM_678	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_678	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_678	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_678	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_678	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_678	Cc1cccc(C)c1	C108383
PUBCHEM_678	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_678	OCCc1ccccc1	C60128
PUBCHEM_678	O=C(O)c1ccccc1O	C69727
PUBCHEM_678	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_678	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_678	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_678	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_678	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_678	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_678	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_678	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_678	Sc1ccccc1	C108985
PUBCHEM_678	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_678	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_678	Oc1ccc2ccccc2c1	C135193
PUBCHEM_678	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_678	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_678	Brc1ccc(F)cc1	C460004
PUBCHEM_678	C1=CC=CC1	C542927
PUBCHEM_678	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_678	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_678	ClP(c1ccccc1)Cl	C644973
PUBCHEM_678	OC(C)COc1ccccc1	C770354
PUBCHEM_678	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_678	Nc1cccc(C)c1C	C1300738
PUBCHEM_678	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_678	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_678	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_678	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_678	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_678	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_678	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_678	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_678	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_678	[O+]#[CH2-].[O+]#[CH2-].[O+]#[CH2-].CC1=C[CH-]C=C1.[Mn+]	C12108133
PUBCHEM_678	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_678	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_678	Nc1c(C)cccc1CC	C24549062
PUBCHEM_678	Clc1cccc(C)c1	C25168052
PUBCHEM_678	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_678	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_678	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_678	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_678	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_678	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_678	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_678	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_678	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_678	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_678	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_678	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_678	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_678	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_678	O=C(C=C(C)C)C	C141797
PUBCHEM_678	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_678	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_678	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_678	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_678	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_678	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_678	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_678	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_678	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_678	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_678	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_678	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_678	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_678	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_678	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_678	OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	C4602840
PUBCHEM_678	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_678	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_678	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_678	OCn1nc(C)cc1C	C85264331
PUBCHEM_678	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_678	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_678	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_678	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_678	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_678	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_678	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_678	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_678	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_678	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_678	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_678	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_678	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_678	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_678	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_678	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_678	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_678	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_678	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_678	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_678	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_678	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_678	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_678	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_678	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_678	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_678	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_678	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_678	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_678	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_678	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_678	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_678	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_678	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_678	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_678	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_678	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_678	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_678	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_678	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_678	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_678	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_678	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_678	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_678	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_678	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_678	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_678	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_678	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_678	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_678	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_678	CC(=CCCC(=CC#N)C)C	C5146667
PUBCHEM_678	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_678	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_678	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_678	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_678	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_678	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_678	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_678	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_678	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_678	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_678	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_678	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_678	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_678	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_678	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_678	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_678	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_678	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_678	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_678	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_678	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_678	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_678	O=C(c1ccccc1O)C	C118934
PUBCHEM_678	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_678	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_678	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_678	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_678	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_678	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_678	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_678	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_678	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_678	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_678	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_678	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_678	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_678	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_678	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_678	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_678	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_678	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_678	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_678	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_678	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_678	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_678	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_678	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_678	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_678	Oc1ccccc1CN(C)C	C120650
PUBCHEM_678	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_678	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_678	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_678	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_678	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_678	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_678	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_678	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_678	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_678	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_678	O=C/C=C/CCC	C6728263
PUBCHEM_678	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_678	O=C(C)OCC/C=C\CC	C3681718
PUBCHEM_678	OCC=Cc1ccccc1	C104541
PUBCHEM_678	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_678	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_678	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_678	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_678	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_678	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_678	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_678	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_678	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_678	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_678	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_678	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_678	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_678	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_678	N#Cc1c(O)cccc1	C611201
PUBCHEM_678	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_678	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_678	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_678	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_678	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_678	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_678	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_678	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_678	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_678	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_678	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_678	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_678	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_678	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_678	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_678	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_678	c12ccccc1CC=C2	C95136
PUBCHEM_678	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_678	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_678	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_678	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_678	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_678	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_678	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_678	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_678	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_678	Oc1c(OCC)cccc1	C94713
PUBCHEM_678	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_678	COc1ccc(CCC)cc1	C104450
PUBCHEM_678	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_678	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_678	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_678	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_678	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_678	OC(CO)c1ccccc1	C93561
PUBCHEM_678	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_678	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_678	O=C(N)Nc1ccccc1	C64108
PUBCHEM_678	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_678	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_678	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_678	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_678	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_678	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_678	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_678	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_678	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_678	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_678	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_678	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_678	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_678	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_678	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_678	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_678	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_678	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_678	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_678	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_678	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_678	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_678	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_678	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_678	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_678	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_678	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_678	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_678	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_678	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_678	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_678	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_678	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_678	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_678	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_678	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_678	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_678	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_678	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_678	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_678	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_678	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_678	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_678	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_678	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_678	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_678	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_678	Sc1ccc(C)cc1	C106456
PUBCHEM_678	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_678	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_678	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_678	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_678	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_678	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_678	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_678	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_678	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_678	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_678	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_678	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_678	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_678	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_678	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_678	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_678	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_678	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_678	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_678	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_678	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_678	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_678	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_678	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_678	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_678	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_678	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_678	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_678	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_678	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_678	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_678	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_678	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_678	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_678	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_678	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_678	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_678	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_678	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_678	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_678	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_678	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_678	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_678	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_678	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_678	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_678	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_678	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_678	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_678	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_678	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_678	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_678	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_678	c1ccccc1OCCO	C122996
PUBCHEM_678	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_678	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_678	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_678	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_678	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_678	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_678	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_678	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_678	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_678	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_678	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_678	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_678	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_678	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_678	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_678	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_678	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_678	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_678	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_678	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_678	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_678	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_678	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_678	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_678	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_678	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_678	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_678	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_678	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_678	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_678	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_678	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_678	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_678	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_678	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_678	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_678	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_678	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_678	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_678	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_678	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_678	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_678	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_678	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_678	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_678	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_678	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_678	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_678	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_678	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_678	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_678	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_678	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_678	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_678	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_678	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_678	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_678	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_678	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_678	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_678	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_678	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_678	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_678	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_678	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_678	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_678	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_678	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_678	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_678	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_678	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_678	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_678	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_678	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_678	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_678	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_678	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_678	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_678	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_678	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_678	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_678	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_678	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_678	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_678	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_678	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_678	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_678	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_678	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_678	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_678	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_678	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_678	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_678	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_678	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_678	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_678	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_678	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_678	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_678	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_678	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_678	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_678	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_678	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_678	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_678	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_678	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_678	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_678	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_678	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_678	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_678	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_678	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_678	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_678	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_678	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_678	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_678	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_678	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_678	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_678	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_678	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_678	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_678	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_678	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_678	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_678	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_678	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_678	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_678	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_678	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_678	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_678	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_678	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_678	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_678	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_678	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_678	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_678	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_678	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_678	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_678	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_678	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_678	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_678	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_678	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_678	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_678	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_678	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_678	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_678	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_678	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_678	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_678	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_678	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_678	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_678	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_678	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_678	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_678	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_678	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_678	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_678	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_678	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_678	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_678	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_678	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_678	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_678	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_678	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_678	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_678	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_678	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_678	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_678	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_678	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_678	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_678	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_678	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_678	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_678	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_678	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_678	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_678	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_678	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_678	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_678	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_678	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_678	c1coc2c1cccc2	C271896
PUBCHEM_678	OC(=O)c1ccccc1	C65850
PUBCHEM_678	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_678	OCc1ccccc1	C100516
PUBCHEM_678	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_678	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_678	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_678	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_678	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_678	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_678	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_678	Oc1c(cccc1)O	C120809
PUBCHEM_678	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_678	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_678	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_678	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_678	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_678	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_678	O=C(c1ccccc1)CCl	C532274
PUBCHEM_678	Nc1ccc(cc1)Cl	C106478
PUBCHEM_678	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_678	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_678	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_678	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_678	Nc1cc(ccc1OC)C	C120718
PUBCHEM_678	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_678	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_678	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_678	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_678	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_678	Clc1c(cccc1)Cl	C95501
PUBCHEM_678	Clc1ccc(cc1)Cl	C106467
PUBCHEM_678	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_678	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_678	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_678	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_678	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_678	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_678	CN(c1ccccc1)C	C121697
PUBCHEM_678	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_678	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_678	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_678	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_678	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_678	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_678	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_678	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_678	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_678	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_678	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_678	O=Cc1ccco1	C98011
PUBCHEM_678	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_678	O=C(C)OC/C=C(\C)/CCC=C(C)C	C105873
PUBCHEM_678	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_678	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_678	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_678	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_678	Oc1ccc(cc1)O	C123319
PUBCHEM_678	Oc1cccc2cccnc12	C148243
PUBCHEM_678	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_678	O=C(c1ccncc1)NN	C54853
PUBCHEM_678	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_678	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_678	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_678	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_678	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_678	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_678	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_678	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_678	Cc1cc2cccnc2cc1	C91623
PUBCHEM_678	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_678	c1c2c(ccc1)cccc2	C91203
PUBCHEM_678	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_678	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_678	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_678	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_678	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_678	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_678	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_678	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_678	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_678	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_678	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_678	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_678	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_678	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_678	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_678	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_678	Oc1ccccc1	C108952
PUBCHEM_678	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_678	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_678	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_678	Nc1cc(ccc1)N	C108452
PUBCHEM_678	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_678	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_678	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_678	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_678	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_678	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_678	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_678	Oc1cc(ccc1)O	C108463
PUBCHEM_678	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_678	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_678	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_678	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_678	C1C(c2ccccc2)O1	C96093
PUBCHEM_678	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_678	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_678	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_678	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_678	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_678	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_678	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_678	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_678	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_678	Oc1ccccc1Cl	C95578
PUBCHEM_678	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_678	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_678	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_678	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_678	n1cccc2c1cccc2	C91225
PUBCHEM_678	CCN(CC)c1ccccc1	C91667
PUBCHEM_678	Oc1c(C)cccc1	C95487
PUBCHEM_678	c1ccccc1C(=O)C	C98862
PUBCHEM_678	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_678	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_678	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_678	CCNc1cc(C)ccc1	C102272
PUBCHEM_678	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_678	Oc1ccc(C)cc1	C106445
PUBCHEM_678	Nc1ccc(C)cc1	C106490
PUBCHEM_678	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_678	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_678	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_678	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_678	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_678	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_678	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_678	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_678	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_678	Clc1cc(Cl)ccc1	C541731
PUBCHEM_678	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_678	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_678	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_678	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_678	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_678	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_678	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_678	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_678	c1(CCCC)ccccc1	C104518
PUBCHEM_678	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_678	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_678	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_678	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_678	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_678	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_678	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_678	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_678	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_678	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_678	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_678	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_678	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_678	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_678	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_678	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_678	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_678	Cc1cn(c(=O)[nH]c1=O)[C@H]1C=C[C@@H](CO)O1	C3056175
PUBCHEM_678	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_678	Nc1c(OC)cccc1	C90040
PUBCHEM_678	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_678	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_678	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_678	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_678	Cc1ccccc1Cl	C95498
PUBCHEM_678	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_678	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_678	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_678	Oc1c(cccc1C)C	C576261
PUBCHEM_678	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_678	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_678	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_678	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_678	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_678	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_678	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_678	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_678	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_678	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_678	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_678	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_678	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_678	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_678	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_678	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_678	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_678	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_678	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_678	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_678	Cc1ccc(Cl)cc1	C106434
PUBCHEM_678	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_678	O=CC=C(C)CCC=C(C)C	C5392405
PUBCHEM_678	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_678	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_678	Nc1cc(C)ccc1N	C496720
PUBCHEM_678	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_678	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_678	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_678	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_678	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_678	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_678	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_678	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_678	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_678	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_678	N(c1ccccc1)CC	C103695
PUBCHEM_678	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_678	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_678	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_678	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_678	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_678	C(=C)(C=C)CCC=C(C)C	C123353
PUBCHEM_678	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_678	Nc1c(N)cccc1	C95545
PUBCHEM_678	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_678	[Na+].C/C(=C\1/C(=O)C=C(C)OC1=O)/[O-]	C4418262
PUBCHEM_678	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_678	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_678	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_678	Nc1c(cccc1)C	C95534
PUBCHEM_678	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_678	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_678	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_678	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_678	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_678	Nc1c(cccc1C)C	C87627
PUBCHEM_678	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_678	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_678	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_678	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_678	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_678	N#Cc1cnccc1	C100549
PUBCHEM_678	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_678	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_678	OC/C=C(\C)/CCC=C(C)C	C106241
PUBCHEM_678	OC/C=C(/C)\CCC=C(C)C	C106252
PUBCHEM_678	Nc1cccc(C)c1	C108441
PUBCHEM_678	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_678	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_678	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_678	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_678	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_678	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_678	Nc1c(CC)cccc1CC	C579668
PUBCHEM_678	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_678	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_678	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_678	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_678	Nc1cccc(C)c1N	C2687254
PUBCHEM_678	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_678	C1=CCCC=CCCC=CCC1	C4904614
PUBCHEM_678	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_678	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_678	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_678	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_678	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_678	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_678	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_678	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_678	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_678	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_678	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_678	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_678	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_678	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_678	O=Cc1ccccc1C=O	C643798
PUBCHEM_678	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_678	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_678	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_678	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_678	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_678	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_678	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_678	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_678	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_678	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_678	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_678	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_678	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_678	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_678	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_678	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_678	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_678	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_678	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_678	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_678	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_678	CCCc1ccccc1	C103651
PUBCHEM_678	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_678	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_678	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_678	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_678	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_678	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_678	CC(C)(C)c1ccccc1	C98066
PUBCHEM_678	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_678	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_678	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_678	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_678	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_678	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_678	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_678	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_678	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_678	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_678	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_678	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_678	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_678	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_678	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_678	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_678	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_678	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_678	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_678	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_678	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_678	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_678	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_678	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_678	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_678	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_678	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_678	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_678	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_678	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_678	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_678	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_678	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_678	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_678	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_678	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_678	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_678	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_678	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_678	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_678	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_678	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_678	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_678	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_678	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_678	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_678	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_678	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_678	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_678	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_678	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_678	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_678	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_678	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_678	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_678	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_678	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_678	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_678	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_678	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_678	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_678	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_678	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_678	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_678	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_678	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_678	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_678	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_678	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_678	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_678	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_678	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_678	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_678	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_678	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_678	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_678	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_678	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_678	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_678	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_678	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_678	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_678	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_678	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_678	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_678	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_678	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_678	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_678	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_678	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_678	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_678	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_678	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_678	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_678	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_678	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_678	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_678	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_678	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_678	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_678	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_678	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_678	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_678	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_678	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_678	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_678	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_678	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_678	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_678	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_678	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_678	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_678	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_678	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_678	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_678	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_678	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_678	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_678	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_678	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_678	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_678	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_678	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_678	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_678	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_678	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_678	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_678	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_678	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_678	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_678	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_678	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_678	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_678	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_678	O=C(N)/C(=N/O)/C=C(\CC)/C([N+](=O)[O-])C	C138472012
PUBCHEM_678	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_678	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_678	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_678	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_678	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_678	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_678	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_678	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_678	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_678	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_678	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_678	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_678	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_678	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_678	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_678	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_678	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_678	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_678	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_678	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_678	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_678	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_678	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_678	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_678	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_678	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_678	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_678	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_678	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_678	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_678	O=C(OCC)c1ccccc1	C93890
PUBCHEM_678	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_678	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_678	NCc1cccc(CN)c1	C1477550
PUBCHEM_678	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_678	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_678	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_678	n1cc(C)ccc1	C108996
PUBCHEM_678	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_678	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_678	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_678	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_678	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_678	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_678	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	C118752
PUBCHEM_678	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_678	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_678	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_678	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_678	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_678	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_678	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_678	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_678	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_678	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_678	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_678	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_678	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_678	NNc1ccccc1.Cl	C59881
PUBCHEM_678	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_678	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_678	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_678	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_678	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_678	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_678	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_678	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_678	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_678	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_678	N#Cc1ccccc1	C100470
PUBCHEM_678	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_678	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_678	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_678	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_678	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_678	Nc1ccc(Br)cc1	C106401
PUBCHEM_678	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_678	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_678	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_678	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_678	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_678	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_678	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_678	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_678	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_678	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_678	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_678	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_678	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_678	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_678	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_678	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_678	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_678	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_678	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_678	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_678	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_678	Nc1ccc(OC)cc1	C104949
PUBCHEM_678	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_678	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_678	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_678	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_678	O=CC=CC=CCCCCC	C25152845
PUBCHEM_678	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_678	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_678	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_678	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_678	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_678	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_678	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_678	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_678	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_678	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_678	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_678	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_678	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_678	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_678	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_678	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_678	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_678	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_678	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_678	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_678	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_678	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_678	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_678	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_678	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_678	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_678	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_678	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_678	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_678	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_678	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_678	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_678	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_678	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_678	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_678	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_678	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_678	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_678	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_678	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_678	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_678	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_678	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_678	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_678	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_678	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_678	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_678	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_678	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_678	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_678	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_678	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_678	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_678	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_678	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_678	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_678	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_678	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_678	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_678	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_678	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_678	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_678	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_678	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_678	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_678	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_678	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_678	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_678	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_678	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_678	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_678	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_678	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_678	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_678	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_678	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_678	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_678	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_678	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_678	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_678	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_678	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_678	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_678	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_678	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_678	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_678	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_678	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_678	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_678	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_678	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_678	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_678	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_678	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_678	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_678	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_678	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_678	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_678	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_678	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_678	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_678	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_678	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_678	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_678	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_678	Cl[Hg]c1ccccc1	C100561
PUBCHEM_678	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_678	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_678	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_678	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_678	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_678	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_678	O=[As]c1ccccc1	C637036
PUBCHEM_678	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_678	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_678	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_678	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_678	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_678	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_678	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_678	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_678	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_678	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_678	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_678	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_678	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_678	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_678	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_678	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_678	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_678	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_678	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_678	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_678	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_678	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_678	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_678	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_678	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_678	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_678	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_678	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_678	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_678	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_678	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_678	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_678	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_678	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_678	Nc1cccc(C)n1	C1824813
PUBCHEM_678	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_678	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_678	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_678	CC1COc2ccccc2N1	C32329207
PUBCHEM_678	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_678	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_678	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_678	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_678	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_678	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_678	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_678	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_678	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_678	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_678	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_678	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_678	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_678	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_678	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_678	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_678	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_678	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_678	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_678	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_678	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_678	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_678	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_678	CC/C=C\CCOC(OCC)C	C28069741
PUBCHEM_678	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_678	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_678	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_678	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_678	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_678	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_678	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_678	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_678	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_678	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_678	CCCCCc1ccco1	C3777693
PUBCHEM_678	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_679	Nc1ccccc1.Cl	C142041
PUBCHEM_679	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_679	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_679	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_679	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_679	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_679	CC(=O)OCc1ccccc1	C140114
PUBCHEM_679	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_679	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_679	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_679	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_679	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_679	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_679	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_679	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_679	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_679	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_679	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_679	O=C1CCCCC1	C108941
PUBCHEM_679	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_679	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_679	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_679	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_679	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_679	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_679	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_679	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_679	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_679	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_679	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_679	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_679	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_679	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_679	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_679	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_679	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_679	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_679	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_679	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_679	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_679	c1cccc2[nH]ccc12	C120729
PUBCHEM_679	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_679	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_679	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_679	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_679	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_679	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_679	COc1ccc(cc1)O	C150765
PUBCHEM_679	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_679	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_679	C=Cc1ccc(cc1)C	C622979
PUBCHEM_679	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_679	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_679	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_679	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_679	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_679	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_679	Nc1ccc(cc1)N	C106503
PUBCHEM_679	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_679	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_679	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_679	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_679	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_679	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_679	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_679	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_679	Nc1ccccc1C.Cl	C636215
PUBCHEM_679	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_679	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_679	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_679	O=CCc1ccccc1	C122781
PUBCHEM_679	CCCCCCCCCC=O	C112312
PUBCHEM_679	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_679	O=CCCCCCC	C111717
PUBCHEM_679	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_679	CCCCCCCCC=O	C124196
PUBCHEM_679	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_679	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_679	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_679	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_679	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_679	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_679	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_679	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_679	O=Cc1ccccc1O	C90028
PUBCHEM_679	Oc1cccc2ccccc12	C90153
PUBCHEM_679	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_679	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_679	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_679	ON=C1CCCCC1	C100641
PUBCHEM_679	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_679	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_679	Oc1ccc(Cl)cc1	C106489
PUBCHEM_679	C1CCCCC1O	C108930
PUBCHEM_679	CCCCCC(=O)C	C110430
PUBCHEM_679	CCCCCCO	C111273
PUBCHEM_679	CCCCCCCO	C111706
PUBCHEM_679	CCCCCCCCCC(=O)C	C112129
PUBCHEM_679	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_679	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_679	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_679	Oc1ccc(CC)cc1	C123079
PUBCHEM_679	CCCCCC(=O)OCC	C123660
PUBCHEM_679	CCCCCCCCCCCCN	C124221
PUBCHEM_679	CCCCCCCCCO	C143088
PUBCHEM_679	COc1ccc(OC)cc1	C150787
PUBCHEM_679	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_679	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_679	Oc1ccc(CCC)cc1	C645567
PUBCHEM_679	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_679	CCCCCCCCCCN	C2016571
PUBCHEM_679	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_679	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_679	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_679	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_679	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_679	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_679	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_679	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_679	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_679	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_679	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_679	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_679	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_679	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_679	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_679	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_679	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_679	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_679	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_679	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_679	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_679	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_679	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_679	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_679	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_679	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_679	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_679	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_679	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_679	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_679	c1(c(CC)cccc1)O	C90006
PUBCHEM_679	c1c(O)cccc1CC	C620177
PUBCHEM_679	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_679	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_679	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_679	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_679	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_679	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_679	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_679	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_679	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_679	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_679	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_679	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_679	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_679	c1cccc(OC)c1O	C90051
PUBCHEM_679	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_679	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_679	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_679	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_679	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_679	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_679	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_679	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_679	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_679	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_679	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_679	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_679	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_679	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_679	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_679	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_679	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_679	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_679	Cc1cc(O)ccc1	C108394
PUBCHEM_679	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_679	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_679	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_679	c1ccc2ncsc2c1	C95169
PUBCHEM_679	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_679	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_679	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_679	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_679	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_679	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_679	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_679	C(CCN)CCCN	C124094
PUBCHEM_679	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_679	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_679	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_679	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_679	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_679	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_679	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_679	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_679	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_679	Cc1c(C)cccc1O	C526750
PUBCHEM_679	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_679	C=Cc1ccccc1C=C	C1321740
PUBCHEM_679	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_679	C(CCCCCC)CCCCCS	C112550
PUBCHEM_679	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_679	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_679	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_679	C(CC)(C=O)CCCC	C123057
PUBCHEM_679	OCC(C(O)CCC)CC	C94962
PUBCHEM_679	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_679	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_679	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_679	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_679	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_679	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_679	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_679	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_679	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_679	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_679	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_679	C(CCCCCCC)C	C111842
PUBCHEM_679	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_679	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_679	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_679	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_679	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_679	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_679	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_679	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_679	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_679	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_679	c12ccccc1CCCC2	C119642
PUBCHEM_679	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_679	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_679	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_679	c1(P(c2ccccc2)c2ccccc2)ccccc1	C603350
PUBCHEM_679	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_679	Cc1cccc(C)c1	C108383
PUBCHEM_679	OCCc1ccccc1	C60128
PUBCHEM_679	O=C(O)c1ccccc1O	C69727
PUBCHEM_679	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_679	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_679	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_679	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_679	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_679	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_679	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_679	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_679	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_679	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_679	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_679	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_679	Sc1ccccc1	C108985
PUBCHEM_679	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_679	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_679	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_679	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_679	N1CCCCCC1	C111499
PUBCHEM_679	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_679	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_679	OC(CCCCCC)C	C123966
PUBCHEM_679	Oc1ccc2ccccc2c1	C135193
PUBCHEM_679	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_679	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_679	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_679	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_679	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_679	Brc1ccc(F)cc1	C460004
PUBCHEM_679	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_679	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_679	ClP(c1ccccc1)Cl	C644973
PUBCHEM_679	OC(C)COc1ccccc1	C770354
PUBCHEM_679	B(c1ccccc1)(c1ccccc1)c1ccccc1	C960714
PUBCHEM_679	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_679	Nc1cccc(C)c1C	C1300738
PUBCHEM_679	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_679	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_679	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_679	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_679	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_679	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_679	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_679	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_679	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_679	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_679	O=S(=O)(c1ccccc1)NCCCC	C3622842
PUBCHEM_679	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_679	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_679	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_679	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_679	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_679	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_679	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_679	Nc1c(C)cccc1CC	C24549062
PUBCHEM_679	Clc1cccc(C)c1	C25168052
PUBCHEM_679	SC(C)(C)CCCCCC	C25360105
PUBCHEM_679	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_679	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_679	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_679	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_679	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_679	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_679	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_679	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_679	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_679	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_679	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_679	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_679	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_679	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_679	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_679	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_679	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_679	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_679	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_679	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_679	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_679	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_679	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_679	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_679	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_679	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_679	OCC(CCC)CCCCC	C10042598
PUBCHEM_679	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_679	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_679	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_679	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_679	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_679	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_679	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_679	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_679	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_679	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_679	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_679	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_679	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_679	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_679	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_679	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_679	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_679	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_679	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_679	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_679	OCCSCCCCCCCC	C3547339
PUBCHEM_679	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_679	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_679	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_679	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_679	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_679	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_679	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_679	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_679	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_679	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_679	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_679	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_679	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_679	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_679	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_679	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_679	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_679	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_679	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_679	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_679	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_679	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_679	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_679	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_679	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_679	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_679	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_679	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_679	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_679	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_679	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_679	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_679	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_679	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_679	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_679	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_679	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_679	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_679	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_679	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_679	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_679	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_679	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_679	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_679	OC(CCCCC)C=C	C3391864
PUBCHEM_679	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_679	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_679	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_679	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_679	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_679	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_679	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_679	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_679	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_679	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_679	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_679	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_679	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_679	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_679	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_679	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_679	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_679	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_679	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_679	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_679	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_679	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_679	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_679	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_679	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_679	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_679	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_679	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_679	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_679	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_679	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_679	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_679	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_679	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_679	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_679	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_679	O=C(c1ccccc1O)C	C118934
PUBCHEM_679	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_679	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_679	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_679	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_679	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_679	CO[Si](OC)(OC)c1ccccc1	C2996921
PUBCHEM_679	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_679	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_679	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_679	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_679	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_679	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_679	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_679	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_679	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_679	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_679	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_679	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_679	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_679	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_679	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_679	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_679	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_679	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_679	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_679	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_679	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_679	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_679	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_679	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_679	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_679	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_679	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_679	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_679	Oc1ccccc1CN(C)C	C120650
PUBCHEM_679	O=C1CCC(O1)CC	C695067
PUBCHEM_679	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_679	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_679	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_679	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_679	O=C(OCC)/C=C/C=C\CCCCC	C3025307
PUBCHEM_679	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_679	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_679	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_679	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_679	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_679	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_679	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_679	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_679	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_679	OCC=Cc1ccccc1	C104541
PUBCHEM_679	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_679	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_679	O=CCC/C=C\CCCCC	C21662099
PUBCHEM_679	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_679	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_679	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_679	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_679	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_679	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_679	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_679	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_679	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_679	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_679	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_679	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_679	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_679	N#Cc1c(O)cccc1	C611201
PUBCHEM_679	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_679	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_679	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_679	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_679	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_679	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_679	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_679	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_679	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_679	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_679	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_679	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_679	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_679	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_679	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_679	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_679	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_679	OCCOCC(CC)CCCC	C1559359
PUBCHEM_679	O=C(CC)CCCCC	C106683
PUBCHEM_679	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_679	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_679	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_679	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_679	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_679	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_679	c12ccccc1CC=C2	C95136
PUBCHEM_679	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_679	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_679	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_679	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_679	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_679	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_679	c1([Hg]c2ccccc2)ccccc1	C587859
PUBCHEM_679	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_679	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_679	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_679	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_679	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_679	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_679	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_679	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_679	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_679	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_679	Oc1c(OCC)cccc1	C94713
PUBCHEM_679	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_679	COc1ccc(CCC)cc1	C104450
PUBCHEM_679	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_679	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_679	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_679	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_679	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_679	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_679	OC(CO)c1ccccc1	C93561
PUBCHEM_679	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_679	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_679	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_679	O=C(N)Nc1ccccc1	C64108
PUBCHEM_679	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_679	O=C(C)OCCCCCCCC	C112141
PUBCHEM_679	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_679	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_679	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_679	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_679	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_679	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_679	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_679	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_679	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_679	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_679	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_679	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_679	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_679	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_679	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_679	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_679	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_679	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_679	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_679	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_679	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_679	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_679	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_679	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_679	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_679	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_679	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_679	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_679	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_679	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_679	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_679	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_679	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_679	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_679	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_679	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_679	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_679	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_679	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_679	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_679	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_679	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_679	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_679	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_679	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_679	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_679	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_679	O=C1OC(CCC)CC1	C105215
PUBCHEM_679	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_679	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_679	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_679	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_679	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_679	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_679	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_679	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_679	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_679	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_679	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_679	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_679	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_679	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_679	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_679	Sc1ccc(C)cc1	C106456
PUBCHEM_679	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_679	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_679	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_679	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_679	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_679	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_679	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_679	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_679	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_679	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_679	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_679	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_679	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_679	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_679	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_679	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_679	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_679	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_679	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_679	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_679	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_679	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_679	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_679	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_679	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_679	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_679	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_679	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_679	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_679	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_679	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_679	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_679	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_679	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_679	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_679	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_679	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_679	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_679	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_679	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_679	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_679	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_679	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_679	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_679	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_679	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_679	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_679	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_679	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_679	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_679	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_679	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_679	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_679	O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C76879
PUBCHEM_679	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_679	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_679	c1ccccc1OCCO	C122996
PUBCHEM_679	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_679	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_679	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_679	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_679	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_679	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_679	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_679	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_679	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_679	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_679	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_679	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_679	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_679	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_679	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_679	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_679	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_679	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_679	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_679	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_679	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_679	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_679	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_679	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_679	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_679	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_679	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_679	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_679	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_679	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_679	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_679	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_679	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_679	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_679	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_679	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_679	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_679	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_679	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_679	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_679	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1	C85509199
PUBCHEM_679	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_679	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_679	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_679	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_679	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_679	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_679	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_679	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_679	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_679	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_679	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_679	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_679	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_679	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_679	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_679	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_679	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_679	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_679	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_679	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_679	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_679	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_679	S(=O)(=O)(c1ccccc1)NCCSP(=S)(OC(C)C)OC(C)C	C741582
PUBCHEM_679	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_679	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_679	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_679	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_679	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_679	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_679	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_679	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_679	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_679	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_679	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_679	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_679	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_679	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_679	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_679	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_679	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_679	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_679	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_679	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_679	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_679	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_679	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_679	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_679	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_679	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_679	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_679	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_679	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_679	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_679	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_679	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_679	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_679	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_679	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_679	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_679	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_679	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_679	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_679	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_679	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_679	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_679	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_679	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_679	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_679	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_679	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_679	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_679	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_679	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_679	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_679	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_679	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_679	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_679	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_679	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_679	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_679	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_679	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_679	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_679	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_679	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_679	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_679	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_679	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_679	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_679	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_679	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_679	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_679	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_679	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_679	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_679	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_679	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_679	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_679	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_679	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_679	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_679	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_679	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_679	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_679	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_679	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_679	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_679	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_679	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_679	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_679	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_679	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_679	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_679	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_679	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_679	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_679	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_679	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_679	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_679	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_679	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_679	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_679	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_679	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_679	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_679	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_679	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_679	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_679	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_679	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_679	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_679	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_679	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_679	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_679	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_679	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_679	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_679	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_679	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_679	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_679	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_679	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_679	c1coc2c1cccc2	C271896
PUBCHEM_679	OC(=O)c1ccccc1	C65850
PUBCHEM_679	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_679	OCc1ccccc1	C100516
PUBCHEM_679	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_679	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_679	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_679	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_679	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_679	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_679	O=C1CCCCCN1	C105602
PUBCHEM_679	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_679	Oc1c(cccc1)O	C120809
PUBCHEM_679	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_679	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_679	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_679	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_679	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_679	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_679	O=C(c1ccccc1)CCl	C532274
PUBCHEM_679	Nc1ccc(cc1)Cl	C106478
PUBCHEM_679	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_679	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_679	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_679	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_679	Nc1cc(ccc1OC)C	C120718
PUBCHEM_679	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_679	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_679	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_679	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_679	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_679	Clc1c(cccc1)Cl	C95501
PUBCHEM_679	Clc1ccc(cc1)Cl	C106467
PUBCHEM_679	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_679	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_679	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_679	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_679	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_679	CN(c1ccccc1)C	C121697
PUBCHEM_679	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_679	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_679	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_679	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_679	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_679	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_679	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_679	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_679	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_679	CCC(CCCC)CO	C104767
PUBCHEM_679	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_679	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_679	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_679	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_679	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_679	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_679	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_679	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_679	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_679	Oc1ccc(cc1)O	C123319
PUBCHEM_679	Oc1cccc2cccnc12	C148243
PUBCHEM_679	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_679	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_679	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_679	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_679	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_679	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_679	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_679	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_679	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_679	Cc1cc2cccnc2cc1	C91623
PUBCHEM_679	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_679	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_679	c1c2c(ccc1)cccc2	C91203
PUBCHEM_679	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_679	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_679	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_679	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_679	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_679	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_679	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_679	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_679	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_679	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_679	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_679	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_679	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_679	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_679	Oc1ccccc1	C108952
PUBCHEM_679	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_679	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_679	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_679	Nc1cc(ccc1)N	C108452
PUBCHEM_679	CC(=O)O[Hg]c1ccccc1	C62384
PUBCHEM_679	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_679	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_679	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_679	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_679	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_679	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_679	Oc1cc(ccc1)O	C108463
PUBCHEM_679	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_679	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_679	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_679	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_679	C1C(c2ccccc2)O1	C96093
PUBCHEM_679	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_679	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_679	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_679	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_679	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_679	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_679	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_679	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_679	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_679	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_679	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_679	Oc1ccccc1Cl	C95578
PUBCHEM_679	CCCCCCCCCC(=O)O	C334485
PUBCHEM_679	O=C(O)CCCCCC	C111148
PUBCHEM_679	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_679	CCCCCC(=O)O	C142621
PUBCHEM_679	CCCCCCCCC(=O)O	C112050
PUBCHEM_679	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_679	CCCCCCCC=O	C124130
PUBCHEM_679	CCCCCCCC(=O)O	C124072
PUBCHEM_679	CCCCCCCCCCC	C1120214
PUBCHEM_679	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_679	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_679	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_679	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_679	n1cccc2c1cccc2	C91225
PUBCHEM_679	CCN(CC)c1ccccc1	C91667
PUBCHEM_679	Oc1c(C)cccc1	C95487
PUBCHEM_679	c1ccccc1C(=O)C	C98862
PUBCHEM_679	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_679	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_679	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_679	CCNc1cc(C)ccc1	C102272
PUBCHEM_679	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_679	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_679	Oc1ccc(C)cc1	C106445
PUBCHEM_679	Nc1ccc(C)cc1	C106490
PUBCHEM_679	N#CCCCCC#N	C111693
PUBCHEM_679	CCCCCCCCO	C111875
PUBCHEM_679	CCCCCCCCCCO	C112301
PUBCHEM_679	CCCCCCCCCCCCCO	C112709
PUBCHEM_679	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_679	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_679	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_679	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_679	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_679	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_679	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_679	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_679	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_679	Clc1cc(Cl)ccc1	C541731
PUBCHEM_679	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_679	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_679	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_679	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_679	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_679	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_679	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_679	c1(CCCC)ccccc1	C104518
PUBCHEM_679	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_679	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_679	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_679	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_679	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_679	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_679	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_679	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_679	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_679	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_679	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_679	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_679	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_679	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_679	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_679	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_679	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_679	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_679	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_679	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_679	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_679	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_679	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_679	Nc1c(OC)cccc1	C90040
PUBCHEM_679	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_679	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_679	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_679	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_679	Cc1ccccc1Cl	C95498
PUBCHEM_679	NC1CCCCC1	C108918
PUBCHEM_679	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_679	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_679	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_679	Oc1c(cccc1C)C	C576261
PUBCHEM_679	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_679	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_679	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_679	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_679	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_679	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_679	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_679	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_679	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_679	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_679	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_679	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_679	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_679	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_679	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_679	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_679	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_679	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_679	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_679	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_679	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_679	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_679	Cc1ccc(Cl)cc1	C106434
PUBCHEM_679	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_679	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_679	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_679	C(CCCCCCCC)C	C124185
PUBCHEM_679	Nc1cc(C)ccc1N	C496720
PUBCHEM_679	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_679	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_679	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_679	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_679	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_679	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_679	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_679	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_679	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_679	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_679	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_679	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_679	N(c1ccccc1)CC	C103695
PUBCHEM_679	O=C(O)C(CCCC)CC	C149575
PUBCHEM_679	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_679	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_679	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_679	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_679	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_679	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_679	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_679	Nc1c(N)cccc1	C95545
PUBCHEM_679	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_679	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_679	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_679	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_679	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_679	Nc1c(cccc1)C	C95534
PUBCHEM_679	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_679	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_679	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_679	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_679	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_679	Nc1c(cccc1C)C	C87627
PUBCHEM_679	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_679	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_679	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_679	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_679	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_679	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_679	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_679	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_679	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_679	Nc1cccc(C)c1	C108441
PUBCHEM_679	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_679	O=C(OC)CCCCCCC	C111115
PUBCHEM_679	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_679	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_679	OCCOCCCCCC	C112254
PUBCHEM_679	OCCCCCCCCCCC	C112425
PUBCHEM_679	OCCCCCCCCCCCC	C112538
PUBCHEM_679	OCCCCCCCCCCCCCC	C112721
PUBCHEM_679	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_679	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_679	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_679	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_679	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_679	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_679	Nc1c(CC)cccc1CC	C579668
PUBCHEM_679	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_679	CCCCCCCCCCCCCCC	C629629
PUBCHEM_679	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_679	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_679	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_679	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_679	Nc1cccc(C)c1N	C2687254
PUBCHEM_679	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_679	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_679	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_679	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_679	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_679	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_679	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_679	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_679	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_679	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_679	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_679	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_679	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_679	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_679	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_679	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_679	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_679	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_679	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_679	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_679	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_679	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_679	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_679	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_679	O=Cc1ccccc1C=O	C643798
PUBCHEM_679	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_679	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_679	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_679	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_679	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_679	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_679	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_679	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_679	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_679	CCCCCCCCN(C)C	C7378996
PUBCHEM_679	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_679	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_679	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_679	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_679	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_679	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_679	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C3871996
PUBCHEM_679	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_679	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_679	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_679	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_679	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_679	O=C(OCC)CCCCCC	C106309
PUBCHEM_679	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_679	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_679	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_679	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_679	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_679	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_679	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_679	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_679	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_679	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_679	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_679	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_679	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_679	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_679	CCCc1ccccc1	C103651
PUBCHEM_679	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_679	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_679	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_679	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_679	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_679	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_679	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_679	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_679	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_679	CC(C)(C)c1ccccc1	C98066
PUBCHEM_679	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_679	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_679	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_679	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_679	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_679	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_679	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_679	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_679	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_679	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_679	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_679	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_679	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_679	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_679	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_679	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_679	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_679	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_679	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_679	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_679	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_679	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_679	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_679	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_679	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_679	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_679	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_679	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_679	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_679	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_679	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_679	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_679	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_679	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_679	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_679	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_679	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_679	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_679	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_679	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_679	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_679	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_679	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_679	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_679	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_679	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_679	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_679	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_679	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_679	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_679	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_679	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_679	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_679	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_679	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_679	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_679	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_679	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_679	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_679	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_679	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_679	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_679	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_679	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_679	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_679	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_679	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_679	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_679	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_679	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_679	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_679	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_679	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_679	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_679	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_679	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_679	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_679	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_679	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_679	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_679	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_679	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_679	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_679	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_679	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_679	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_679	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_679	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_679	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_679	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_679	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_679	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_679	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_679	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_679	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_679	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_679	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_679	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_679	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_679	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_679	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_679	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_679	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_679	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_679	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_679	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_679	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_679	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_679	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_679	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_679	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_679	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_679	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_679	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_679	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_679	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_679	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_679	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_679	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_679	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_679	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_679	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_679	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_679	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_679	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_679	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_679	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_679	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_679	C1(CCCCC1)SSC1CCCCC1	C2550405
PUBCHEM_679	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_679	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_679	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_679	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_679	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_679	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_679	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_679	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_679	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_679	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_679	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_679	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_679	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_679	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_679	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_679	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_679	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_679	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_679	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_679	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_679	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_679	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_679	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_679	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_679	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_679	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_679	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_679	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_679	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_679	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_679	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_679	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_679	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_679	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_679	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_679	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_679	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_679	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_679	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_679	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_679	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_679	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_679	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_679	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_679	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_679	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_679	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_679	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_679	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_679	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_679	O=C(OCC)c1ccccc1	C93890
PUBCHEM_679	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_679	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_679	NCc1cccc(CN)c1	C1477550
PUBCHEM_679	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_679	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_679	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_679	CC(=O)CCC(C)C	C110123
PUBCHEM_679	CCCCCC=O	C66251
PUBCHEM_679	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_679	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_679	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_679	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_679	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_679	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_679	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_679	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_679	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_679	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_679	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_679	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_679	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_679	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_679	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_679	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_679	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_679	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_679	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_679	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_679	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_679	NNc1ccccc1.Cl	C59881
PUBCHEM_679	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_679	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_679	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_679	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_679	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_679	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_679	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_679	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_679	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_679	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_679	N#Cc1ccccc1	C100470
PUBCHEM_679	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_679	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_679	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_679	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_679	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_679	Nc1ccc(Br)cc1	C106401
PUBCHEM_679	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_679	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_679	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_679	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_679	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_679	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_679	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_679	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_679	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_679	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_679	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_679	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_679	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_679	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_679	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_679	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_679	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_679	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_679	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_679	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_679	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_679	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_679	Nc1ccc(OC)cc1	C104949
PUBCHEM_679	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_679	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_679	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_679	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_679	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_679	O=CC=CC=CCCCCC	C25152845
PUBCHEM_679	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_679	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_679	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_679	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_679	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_679	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_679	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_679	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_679	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_679	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_679	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_679	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_679	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_679	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_679	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_679	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_679	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_679	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_679	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_679	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_679	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_679	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_679	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_679	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_679	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_679	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_679	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_679	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_679	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_679	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_679	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_679	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_679	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_679	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_679	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_679	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_679	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_679	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_679	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_679	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_679	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_679	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_679	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_679	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_679	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_679	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_679	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_679	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_679	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_679	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_679	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_679	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_679	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_679	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_679	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_679	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_679	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_679	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_679	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_679	O=CCCCCCCCCC=C	C112458
PUBCHEM_679	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_679	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_679	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_679	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_679	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_679	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_679	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_679	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_679	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_679	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_679	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_679	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_679	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_679	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_679	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_679	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_679	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_679	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_679	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_679	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_679	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_679	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_679	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_679	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_679	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_679	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_679	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_679	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_679	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_679	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_679	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_679	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_679	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_679	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_679	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_679	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_679	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_679	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_679	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_679	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_679	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_679	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_679	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_679	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_679	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_679	O=P(Sc1ccccc1)(OCC)Sc1ccccc1	C17109498
PUBCHEM_679	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_679	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_679	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_679	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_679	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_679	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_679	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_679	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_679	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_679	Cl[Hg]c1ccccc1	C100561
PUBCHEM_679	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_679	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_679	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_679	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_679	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_679	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_679	O=[As]c1ccccc1	C637036
PUBCHEM_679	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_679	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_679	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_679	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_679	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_679	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_679	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_679	Cl[Bi](c1ccccc1)(c1ccccc1)(Cl)c1ccccc1	C594309
PUBCHEM_679	F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	C379522
PUBCHEM_679	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_679	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_679	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_679	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_679	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_679	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_679	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_679	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_679	BrCCCCCCCCCCCC	C143157
PUBCHEM_679	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_679	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_679	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_679	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_679	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_679	OC(C)C(=O)O[Hg]c1ccccc1	C122645
PUBCHEM_679	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_679	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_679	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_679	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_679	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_679	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_679	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_679	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_679	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_679	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_679	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_679	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_679	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_679	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_679	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_679	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_679	NCCCOCCCCCCCC	C15930662
PUBCHEM_679	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_679	Nc1cccc(C)n1	C1824813
PUBCHEM_679	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_679	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_679	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_679	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_679	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_679	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_679	CC1COc2ccccc2N1	C32329207
PUBCHEM_679	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_679	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_679	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_679	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_679	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_679	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_679	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_679	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_679	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_679	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_679	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_679	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_679	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_679	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_679	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_679	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_679	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_679	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_679	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_679	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_679	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_679	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_679	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_679	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_679	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_679	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_679	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_679	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_679	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_679	O=C(C)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	C1162067
PUBCHEM_679	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_679	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_679	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_679	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_679	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_679	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_679	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_679	CCCCCc1ccco1	C3777693
PUBCHEM_679	CCC(=O)C(=O)CC	C4437518
PUBCHEM_679	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_680	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_680	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_680	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_680	CC(=O)OCc1ccccc1	C140114
PUBCHEM_680	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_680	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_680	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_680	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_680	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_680	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_680	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_680	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_680	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_680	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_680	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_680	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_680	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_680	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_680	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_680	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_680	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_680	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_680	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_680	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_680	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_680	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_680	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_680	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_680	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_680	COc1ccc(cc1)O	C150765
PUBCHEM_680	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_680	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_680	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_680	OC(=O)c1cccnc1	C59676
PUBCHEM_680	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_680	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_680	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_680	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_680	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_680	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_680	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_680	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_680	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_680	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_680	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_680	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_680	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_680	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_680	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_680	OC(=O)CCCC	C109524
PUBCHEM_680	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_680	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_680	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_680	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_680	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_680	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_680	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_680	O=Cc1ccccc1O	C90028
PUBCHEM_680	Oc1cccc2ccccc12	C90153
PUBCHEM_680	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_680	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_680	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_680	Oc1ccc(Cl)cc1	C106489
PUBCHEM_680	C1CCCCC1O	C108930
PUBCHEM_680	CCCCCCO	C111273
PUBCHEM_680	CCCCCCCO	C111706
PUBCHEM_680	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_680	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_680	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_680	Oc1ccc(CC)cc1	C123079
PUBCHEM_680	CCCCCC(=O)OCC	C123660
PUBCHEM_680	CCCCCCCCCO	C143088
PUBCHEM_680	COc1ccc(OC)cc1	C150787
PUBCHEM_680	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_680	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_680	Oc1ccc(CCC)cc1	C645567
PUBCHEM_680	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_680	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_680	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_680	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_680	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_680	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_680	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_680	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_680	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_680	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_680	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_680	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_680	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_680	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_680	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_680	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_680	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_680	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_680	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_680	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_680	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_680	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_680	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_680	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_680	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_680	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_680	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_680	c1(c(CC)cccc1)O	C90006
PUBCHEM_680	c1c(O)cccc1CC	C620177
PUBCHEM_680	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_680	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_680	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_680	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_680	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_680	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_680	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_680	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_680	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_680	c1cccc(OC)c1O	C90051
PUBCHEM_680	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_680	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_680	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_680	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_680	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_680	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_680	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_680	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_680	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_680	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_680	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_680	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_680	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_680	Cc1cc(O)ccc1	C108394
PUBCHEM_680	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_680	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_680	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_680	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_680	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_680	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_680	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_680	Cc1c(C)cccc1O	C526750
PUBCHEM_680	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_680	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_680	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_680	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_680	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_680	OCC(C(O)CCC)CC	C94962
PUBCHEM_680	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_680	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_680	c1c(CO)occ1	C98000
PUBCHEM_680	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_680	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_680	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_680	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_680	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_680	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_680	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_680	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_680	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_680	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_680	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_680	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_680	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_680	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_680	OCCc1ccccc1	C60128
PUBCHEM_680	O=C(O)c1ccccc1O	C69727
PUBCHEM_680	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_680	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_680	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_680	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_680	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_680	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_680	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_680	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_680	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_680	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_680	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_680	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_680	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_680	OC(CCCCCC)C	C123966
PUBCHEM_680	Oc1ccc2ccccc2c1	C135193
PUBCHEM_680	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_680	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_680	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_680	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_680	OC(C)COc1ccccc1	C770354
PUBCHEM_680	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_680	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_680	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_680	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_680	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_680	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_680	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_680	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_680	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_680	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_680	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_680	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_680	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_680	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_680	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_680	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_680	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_680	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_680	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_680	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_680	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_680	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_680	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_680	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_680	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_680	OCC1OCCC1	C97994
PUBCHEM_680	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_680	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_680	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_680	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_680	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_680	OCC(CCC)CCCCC	C10042598
PUBCHEM_680	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_680	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_680	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_680	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_680	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_680	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_680	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_680	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_680	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_680	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_680	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_680	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_680	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_680	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_680	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_680	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_680	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_680	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_680	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_680	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_680	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_680	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_680	OC1CCCC1	C96413
PUBCHEM_680	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_680	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_680	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_680	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_680	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_680	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_680	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_680	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_680	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_680	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_680	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_680	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_680	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_680	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_680	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_680	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_680	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_680	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_680	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_680	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_680	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_680	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_680	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_680	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_680	OC(CCCCC)C=C	C3391864
PUBCHEM_680	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_680	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_680	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_680	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_680	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_680	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_680	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_680	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_680	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_680	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_680	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_680	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_680	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_680	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_680	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_680	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_680	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_680	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_680	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_680	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_680	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_680	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_680	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_680	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_680	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_680	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_680	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_680	O=C(c1ccccc1O)C	C118934
PUBCHEM_680	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_680	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_680	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_680	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_680	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_680	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_680	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_680	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_680	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_680	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_680	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_680	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_680	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_680	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_680	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_680	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_680	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_680	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_680	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_680	Oc1ccccc1CN(C)C	C120650
PUBCHEM_680	O=C1CCC(O1)CC	C695067
PUBCHEM_680	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_680	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_680	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_680	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_680	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_680	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_680	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_680	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_680	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_680	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_680	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_680	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_680	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_680	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_680	O=C(CCC)OCCCCC	C540181
PUBCHEM_680	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_680	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_680	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_680	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_680	N#Cc1c(O)cccc1	C611201
PUBCHEM_680	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_680	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_680	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_680	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_680	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_680	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_680	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_680	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_680	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_680	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_680	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_680	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_680	OCCOCC(CC)CCCC	C1559359
PUBCHEM_680	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_680	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_680	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_680	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_680	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_680	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_680	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_680	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_680	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_680	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_680	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_680	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_680	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_680	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_680	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_680	Oc1c(OCC)cccc1	C94713
PUBCHEM_680	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_680	COc1ccc(CCC)cc1	C104450
PUBCHEM_680	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_680	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_680	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_680	OC(CO)c1ccccc1	C93561
PUBCHEM_680	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_680	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_680	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_680	O=C(C)OCCCCCCCC	C112141
PUBCHEM_680	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_680	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_680	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_680	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_680	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_680	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_680	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_680	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_680	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_680	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_680	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_680	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_680	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_680	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_680	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_680	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_680	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_680	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_680	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_680	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_680	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_680	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_680	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_680	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_680	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_680	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_680	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_680	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_680	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_680	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_680	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_680	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_680	O=C1OC(CCC)CC1	C105215
PUBCHEM_680	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_680	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_680	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_680	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_680	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_680	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_680	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_680	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_680	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_680	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_680	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_680	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_680	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_680	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_680	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_680	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_680	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_680	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_680	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_680	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_680	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_680	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_680	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_680	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_680	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_680	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_680	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_680	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_680	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_680	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_680	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_680	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_680	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_680	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_680	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_680	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_680	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_680	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_680	c1ccccc1OCCO	C122996
PUBCHEM_680	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_680	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_680	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_680	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_680	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_680	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_680	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_680	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_680	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_680	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_680	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_680	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_680	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_680	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_680	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_680	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_680	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_680	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_680	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_680	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_680	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_680	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_680	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_680	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_680	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_680	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_680	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_680	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_680	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_680	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_680	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_680	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_680	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_680	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_680	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_680	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_680	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_680	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_680	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_680	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_680	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_680	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_680	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_680	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_680	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_680	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_680	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_680	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_680	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_680	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_680	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_680	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_680	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_680	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_680	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_680	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_680	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_680	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_680	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_680	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_680	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_680	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_680	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_680	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_680	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_680	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_680	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_680	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_680	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_680	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_680	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_680	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_680	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_680	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_680	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_680	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_680	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_680	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_680	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_680	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_680	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_680	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_680	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_680	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_680	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_680	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_680	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_680	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_680	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_680	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_680	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_680	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_680	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_680	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_680	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_680	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_680	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_680	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_680	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_680	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_680	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_680	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_680	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_680	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_680	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_680	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_680	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_680	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_680	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_680	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_680	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_680	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_680	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_680	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_680	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_680	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_680	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_680	c1coc2c1cccc2	C271896
PUBCHEM_680	OC(=O)c1ccccc1	C65850
PUBCHEM_680	OCc1ccccc1	C100516
PUBCHEM_680	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_680	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_680	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_680	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_680	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_680	Oc1c(cccc1)O	C120809
PUBCHEM_680	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_680	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_680	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_680	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_680	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_680	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_680	Nc1cc(ccc1OC)C	C120718
PUBCHEM_680	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_680	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_680	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_680	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_680	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_680	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_680	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_680	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_680	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_680	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_680	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_680	CCC(CCCC)CO	C104767
PUBCHEM_680	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_680	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_680	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_680	O=Cc1ccco1	C98011
PUBCHEM_680	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_680	Oc1ccc(cc1)O	C123319
PUBCHEM_680	Oc1cccc2cccnc12	C148243
PUBCHEM_680	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_680	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_680	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_680	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_680	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_680	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_680	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_680	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_680	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_680	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_680	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_680	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_680	Oc1ccccc1	C108952
PUBCHEM_680	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_680	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_680	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_680	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_680	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_680	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_680	Oc1cc(ccc1)O	C108463
PUBCHEM_680	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_680	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_680	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_680	C1C(c2ccccc2)O1	C96093
PUBCHEM_680	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_680	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_680	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_680	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_680	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_680	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_680	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_680	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_680	Oc1ccccc1Cl	C95578
PUBCHEM_680	CCCCCCCCCC(=O)O	C334485
PUBCHEM_680	O=C(O)CCCCCC	C111148
PUBCHEM_680	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_680	CCCCCC(=O)O	C142621
PUBCHEM_680	CCCCCCCCC(=O)O	C112050
PUBCHEM_680	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_680	CCCCCCCC(=O)O	C124072
PUBCHEM_680	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_680	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_680	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_680	Oc1c(C)cccc1	C95487
PUBCHEM_680	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_680	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_680	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_680	Oc1ccc(C)cc1	C106445
PUBCHEM_680	CCCCCCCCO	C111875
PUBCHEM_680	CCCCCCCCCCO	C112301
PUBCHEM_680	CCCCCCCCCCCCCO	C112709
PUBCHEM_680	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_680	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_680	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_680	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_680	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_680	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_680	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_680	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_680	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_680	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_680	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_680	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_680	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_680	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_680	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_680	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_680	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_680	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_680	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_680	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_680	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_680	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_680	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_680	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_680	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_680	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_680	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_680	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_680	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_680	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_680	Nc1c(OC)cccc1	C90040
PUBCHEM_680	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_680	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_680	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_680	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_680	Oc1c(cccc1C)C	C576261
PUBCHEM_680	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_680	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_680	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_680	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_680	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_680	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_680	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_680	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_680	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_680	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_680	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_680	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_680	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_680	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_680	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_680	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_680	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_680	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_680	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_680	O=C(O)C(CCCC)CC	C149575
PUBCHEM_680	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_680	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_680	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_680	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_680	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_680	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_680	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_680	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_680	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_680	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_680	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_680	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_680	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_680	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_680	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_680	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_680	O=C(OC)CCCCCCC	C111115
PUBCHEM_680	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_680	OCCOCCCCCC	C112254
PUBCHEM_680	OCCCCCCCCCCC	C112425
PUBCHEM_680	OCCCCCCCCCCCC	C112538
PUBCHEM_680	OCCCCCCCCCCCCCC	C112721
PUBCHEM_680	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_680	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_680	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_680	O=C(C)OCCCCC	C628637
PUBCHEM_680	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_680	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_680	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_680	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_680	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_680	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_680	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_680	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_680	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_680	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_680	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_680	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_680	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_680	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_680	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_680	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_680	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_680	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_680	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_680	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_680	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_680	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_680	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_680	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_680	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_680	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_680	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_680	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_680	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_680	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_680	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_680	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_680	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_680	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_680	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_680	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_680	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_680	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_680	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_680	O=C(OCC)CCCCCC	C106309
PUBCHEM_680	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_680	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_680	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_680	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_680	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_680	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_680	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_680	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_680	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_680	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_680	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_680	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_680	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_680	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_680	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_680	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_680	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_680	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_680	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_680	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_680	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_680	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_680	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_680	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_680	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_680	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_680	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_680	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_680	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_680	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_680	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_680	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_680	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_680	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_680	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_680	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_680	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_680	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_680	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_680	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_680	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_680	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_680	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_680	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_680	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_680	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_680	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_680	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_680	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_680	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_680	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_680	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_680	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_680	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_680	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_680	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_680	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_680	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_680	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_680	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_680	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_680	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_680	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_680	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_680	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_680	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_680	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_680	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_680	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_680	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_680	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_680	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_680	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_680	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_680	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_680	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_680	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_680	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_680	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_680	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_680	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_680	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_680	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_680	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_680	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_680	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_680	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_680	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_680	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_680	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_680	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_680	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_680	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_680	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_680	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_680	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_680	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_680	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_680	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_680	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_680	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_680	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_680	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_680	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_680	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_680	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_680	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_680	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_680	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_680	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_680	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_680	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_680	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_680	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_680	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_680	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_680	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_680	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_680	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_680	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_680	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_680	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_680	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_680	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_680	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_680	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_680	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_680	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_680	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_680	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_680	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_680	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_680	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_680	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_680	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_680	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_680	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_680	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_680	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_680	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_680	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_680	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_680	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_680	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_680	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_680	O=C(OCC)c1ccccc1	C93890
PUBCHEM_680	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_680	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_680	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_680	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_680	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_680	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_680	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_680	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_680	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_680	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_680	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_680	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_680	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_680	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_680	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_680	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_680	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_680	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_680	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_680	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_680	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_680	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_680	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_680	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_680	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_680	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_680	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_680	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_680	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_680	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_680	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_680	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_680	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_680	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_680	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_680	Nc1ccc(OC)cc1	C104949
PUBCHEM_680	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_680	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_680	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_680	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_680	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_680	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_680	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_680	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_680	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_680	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_680	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_680	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_680	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_680	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_680	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_680	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_680	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_680	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_680	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_680	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_680	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_680	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_680	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_680	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_680	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_680	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_680	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_680	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_680	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_680	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_680	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_680	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_680	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_680	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_680	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_680	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_680	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_680	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_680	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_680	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_680	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_680	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_680	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_680	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_680	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_680	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_680	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_680	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_680	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_680	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_680	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_680	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_680	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_680	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_680	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_680	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_680	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_680	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_680	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_680	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_680	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_680	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_680	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_680	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_680	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_680	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_680	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_680	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_680	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_680	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_680	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_680	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_680	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_680	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_680	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_680	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_680	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_680	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_680	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_680	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_680	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_680	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_680	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_680	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_680	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_680	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_680	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_680	NCCCOCCCCCCCC	C15930662
PUBCHEM_680	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_680	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_680	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_680	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_680	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_680	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_680	CC1COc2ccccc2N1	C32329207
PUBCHEM_680	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_680	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_680	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_680	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_680	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_680	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_680	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_680	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_680	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_680	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_680	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_680	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_680	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_680	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_680	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_680	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_680	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_680	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_680	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_680	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_680	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_680	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_680	CCCCCc1ccco1	C3777693
PUBCHEM_681	OC1=C(C(=O)O[C@@H]1[C@@H](O)CO)O	C50817
PUBCHEM_681	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_681	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_681	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_681	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_681	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_681	COc1ccc(cc1)O	C150765
PUBCHEM_681	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_681	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_681	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_681	COc1ccc(OC)cc1	C150787
PUBCHEM_681	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_681	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_681	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_681	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_681	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_681	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_681	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_681	OCCCCO	C110634
PUBCHEM_681	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_681	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_681	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_681	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_681	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_681	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_681	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_681	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_681	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_681	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_681	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_681	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_681	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_681	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_681	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_681	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_681	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_681	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_681	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_681	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_681	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_681	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_681	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_681	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_681	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_681	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_681	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_681	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_681	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_681	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_681	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_681	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_681	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_681	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_681	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_681	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_681	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_681	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_681	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_681	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_681	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_681	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_681	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_681	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_681	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_681	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_681	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_681	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_681	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_681	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_681	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_681	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_681	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_681	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_681	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_681	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_681	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_681	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_681	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_681	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_681	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_681	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_681	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_681	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_681	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_681	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_681	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_681	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_681	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_681	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_681	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_681	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_681	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_681	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_681	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_681	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_681	[O-]C1=C(O)C(=O)O[C@H]1[C@H](O)CO.[Na+]	C134032
PUBCHEM_681	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_681	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_681	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_681	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_681	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_681	[Na+].OC1=C([C@H](OC1=O)[C@H](O)C[O-])O	C6381777
PUBCHEM_681	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_681	Oc1ccc(cc1)O	C123319
PUBCHEM_681	O(S(=O)(=O)C)CCCCOS(=O)(=O)C	C55981
PUBCHEM_681	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_681	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_681	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_681	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_681	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_681	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_681	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_681	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_681	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_681	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_681	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_681	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_681	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_681	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_681	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_681	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_681	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_681	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_681	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_681	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_681	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_681	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_681	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_681	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_681	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_681	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_681	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_681	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_681	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_681	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_681	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_681	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_681	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_681	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_681	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_681	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_681	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_681	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_681	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_681	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_681	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_681	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_681	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_681	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_681	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_681	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_681	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_681	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_681	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_681	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_681	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_681	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_681	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_681	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_681	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_681	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_681	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_681	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_681	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_681	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_681	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_681	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_681	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_681	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_681	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_681	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_681	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_681	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_681	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_681	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_681	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_681	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_681	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_681	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_681	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_681	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_681	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_681	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_681	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_681	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_681	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_681	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_681	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_681	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_681	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_681	O=C(OCCCCO)C=C	C2478106
PUBCHEM_681	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_681	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_681	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_682	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_682	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_682	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_682	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_682	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_682	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_682	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_682	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_682	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_682	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_682	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_682	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_682	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_682	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_682	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_682	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_682	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_682	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_682	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_682	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_682	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_682	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_682	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_682	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_682	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_682	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_682	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_682	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_682	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_682	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_682	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_682	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_682	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_682	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_682	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_682	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_682	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_682	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_682	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_682	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_682	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_682	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_682	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_682	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_682	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_682	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_682	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_682	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_682	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_682	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_682	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_682	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_682	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_682	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_682	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_682	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_682	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_682	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_682	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_682	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_682	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_682	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_682	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_682	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_682	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_682	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_682	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_682	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_682	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_682	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_682	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_682	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_682	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_682	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_682	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_682	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_682	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_682	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_682	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_682	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_682	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_682	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_682	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_682	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_682	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_682	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_682	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_682	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_682	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_682	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_682	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_682	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_682	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_682	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_682	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_682	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_682	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_682	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_682	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_682	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_682	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_682	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_682	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_682	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_682	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_682	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_682	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_682	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_682	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_682	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_682	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_682	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_682	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_682	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_682	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_682	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_682	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_682	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_682	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_682	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_682	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_682	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_682	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_682	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_682	Nc1ccc(OC)cc1	C104949
PUBCHEM_682	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_682	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_682	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_682	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_682	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_682	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_682	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_682	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_682	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_682	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_682	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_682	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_682	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_682	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_682	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_682	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_682	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_683	Nc1ccccc1.Cl	C142041
PUBCHEM_683	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_683	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_683	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_683	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_683	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_683	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_683	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_683	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_683	[N+].c1(N(N=O)[O-])ccccc1	C135206
PUBCHEM_683	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_683	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_683	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_683	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_683	c1cccc2[nH]ccc12	C120729
PUBCHEM_683	O=C(Nc1ccccc1)OC(C)C	C122429
PUBCHEM_683	NC(=O)c1cccnc1	C98920
PUBCHEM_683	OC(=O)c1cccnc1	C59676
PUBCHEM_683	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_683	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_683	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_683	Nc1ccc(cc1)N	C106503
PUBCHEM_683	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_683	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_683	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_683	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_683	Nc1ccccc1C.Cl	C636215
PUBCHEM_683	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_683	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_683	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_683	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_683	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_683	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_683	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_683	CCCCCCCCCCCCN	C124221
PUBCHEM_683	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_683	CCCCCCCCCCN	C2016571
PUBCHEM_683	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_683	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_683	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_683	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_683	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_683	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_683	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_683	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_683	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_683	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_683	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_683	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_683	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_683	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_683	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_683	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_683	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_683	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_683	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_683	CC(C)N(C(=O)CCl)c1ccccc1	C1918167
PUBCHEM_683	c1ccc2ncsc2c1	C95169
PUBCHEM_683	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_683	C(CCN)CCCN	C124094
PUBCHEM_683	N(C1CCCCC1)C1CCCCC1	C101837
PUBCHEM_683	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_683	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_683	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_683	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_683	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_683	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_683	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_683	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_683	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_683	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_683	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_683	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_683	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]	C13463417
PUBCHEM_683	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_683	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_683	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_683	N1CCCCCC1	C111499
PUBCHEM_683	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_683	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_683	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_683	Nc1cccc(C)c1C	C1300738
PUBCHEM_683	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_683	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_683	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_683	Nc1c(C)cccc1CC	C24549062
PUBCHEM_683	CCCCN(CCCC)CCCCCCN(CCCC)CCCC	C27090637
PUBCHEM_683	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_683	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_683	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_683	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_683	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_683	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_683	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_683	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_683	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_683	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_683	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_683	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_683	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_683	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_683	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_683	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_683	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_683	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_683	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_683	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_683	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_683	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_683	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_683	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_683	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_683	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_683	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_683	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_683	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_683	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_683	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_683	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_683	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_683	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_683	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_683	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_683	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_683	O=C(N(C)C)Nc1ccccc1	C101428
PUBCHEM_683	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_683	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_683	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_683	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_683	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_683	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_683	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_683	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_683	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_683	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_683	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_683	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_683	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_683	O=C1C=CC(=O)N1c1ccccc1	C941695
PUBCHEM_683	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_683	Oc1ccccc1CN(C)C	C120650
PUBCHEM_683	O=C(Nc1ccccc1)CCl	C587655
PUBCHEM_683	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_683	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_683	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_683	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_683	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_683	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_683	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_683	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_683	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_683	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_683	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_683	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_683	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_683	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_683	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_683	CC(C)N(C(C)C)c1ccccc1	C4107986
PUBCHEM_683	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_683	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_683	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_683	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_683	O=C(N)Nc1ccccc1	C64108
PUBCHEM_683	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_683	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_683	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_683	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_683	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_683	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_683	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_683	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_683	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_683	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_683	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_683	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_683	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_683	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_683	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_683	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_683	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_683	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_683	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_683	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_683	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_683	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_683	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_683	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_683	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_683	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_683	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_683	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_683	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_683	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_683	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_683	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_683	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_683	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_683	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_683	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_683	c1ccccc1Nc1ccccc1	C122394
PUBCHEM_683	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_683	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_683	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_683	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_683	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_683	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_683	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_683	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_683	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_683	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_683	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_683	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_683	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_683	O=C(Nc1ccccc1)C1=C(OCCS1)C	C5234684
PUBCHEM_683	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_683	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_683	O=c1nc(n(C)c(=O)n1C1CCCCC1)N(C)C	C51235042
PUBCHEM_683	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_683	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_683	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_683	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_683	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_683	[Cl-].C[N+]1(C)CCCCC1	C24307264
PUBCHEM_683	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_683	O=C(SCC)N1CCCCCC1	C2212671
PUBCHEM_683	ClC(Cl)(c1nc(Cl)ccc1)Cl	C1929824
PUBCHEM_683	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_683	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_683	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_683	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_683	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_683	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_683	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_683	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_683	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_683	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_683	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_683	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_683	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_683	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_683	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_683	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_683	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_683	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_683	O=C(N(CC)C1CCCCC1)SCC	C1134232
PUBCHEM_683	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_683	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_683	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_683	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_683	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_683	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_683	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_683	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_683	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_683	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_683	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_683	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_683	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_683	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_683	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_683	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_683	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_683	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_683	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_683	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_683	O=C(COc1nnc(C(F)(F)F)s1)N(C(C)C)c1ccc(F)cc1	C142459583
PUBCHEM_683	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_683	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_683	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_683	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_683	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_683	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_683	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_683	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_683	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_683	Fc1cccc(F)c1NS(=O)(=O)c1nn2ccc(C)nc2n1	C98967409
PUBCHEM_683	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_683	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_683	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_683	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_683	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_683	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_683	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_683	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_683	O=C(Nc1ccccc1)Nc1cnns1	C51707552
PUBCHEM_683	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_683	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_683	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_683	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_683	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_683	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_683	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_683	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_683	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_683	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_683	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_683	O=C1N(C(C)C)C(=NC(C)(C)C)SCN1c1ccccc1	C69327760
PUBCHEM_683	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_683	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_683	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_683	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_683	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_683	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_683	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_683	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_683	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_683	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_683	O=C(Nc1ccccc1)Nc1cc(Cl)ncc1	C68157608
PUBCHEM_683	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_683	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_683	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_683	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_683	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_683	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_683	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_683	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_683	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_683	Cc1nc(Nc2ccccc2)nc(C)c1	C53112280
PUBCHEM_683	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_683	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_683	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_683	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_683	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_683	O=S(=O)(c1ncccc1OCC(F)(F)F)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]	C199119589
PUBCHEM_683	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_683	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_683	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_683	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_683	c1(N=Nc2ccccc2)ccccc1	C103333
PUBCHEM_683	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_683	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_683	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_683	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_683	O=C1CCCCCN1	C105602
PUBCHEM_683	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_683	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_683	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_683	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_683	Nc1ccc(cc1)Cl	C106478
PUBCHEM_683	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_683	Nc1cc(ccc1OC)C	C120718
PUBCHEM_683	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_683	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_683	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_683	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_683	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_683	CN(c1ccccc1)C	C121697
PUBCHEM_683	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_683	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_683	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_683	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_683	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_683	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_683	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_683	N(c1ccccc1)Nc1ccccc1	C122667
PUBCHEM_683	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_683	Oc1cccc2cccnc12	C148243
PUBCHEM_683	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_683	O=C(c1ccncc1)NN	C54853
PUBCHEM_683	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_683	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_683	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_683	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_683	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_683	Cc1cc2cccnc2cc1	C91623
PUBCHEM_683	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_683	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_683	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_683	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_683	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_683	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_683	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_683	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_683	O=[N+](c1ccccc1)[O-]	C98953
PUBCHEM_683	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_683	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_683	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_683	O=NN(c1ccccc1)c1ccccc1	C86306
PUBCHEM_683	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_683	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_683	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_683	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_683	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_683	Nc1cc(ccc1)N	C108452
PUBCHEM_683	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_683	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_683	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_683	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_683	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_683	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_683	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_683	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_683	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_683	n1cccc2c1cccc2	C91225
PUBCHEM_683	CCN(CC)c1ccccc1	C91667
PUBCHEM_683	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_683	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_683	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_683	CCNc1cc(C)ccc1	C102272
PUBCHEM_683	Nc1ccc(C)cc1	C106490
PUBCHEM_683	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_683	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_683	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_683	n1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	C2176627
PUBCHEM_683	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_683	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_683	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_683	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_683	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_683	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_683	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_683	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_683	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_683	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_683	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_683	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_683	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_683	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_683	Nc1c(OC)cccc1	C90040
PUBCHEM_683	NC1CCCCC1	C108918
PUBCHEM_683	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_683	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_683	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_683	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_683	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_683	O=C=NCCCCCCN=C=O	C822060
PUBCHEM_683	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_683	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_683	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_683	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_683	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_683	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_683	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_683	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_683	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_683	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_683	Nc1cc(C)ccc1N	C496720
PUBCHEM_683	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_683	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_683	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_683	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_683	N=C(Nc1ccccc1)Nc1ccccc1	C102067
PUBCHEM_683	N(c1ccccc1)CC	C103695
PUBCHEM_683	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_683	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_683	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_683	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_683	Nc1c(N)cccc1	C95545
PUBCHEM_683	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_683	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_683	Nc1c(cccc1)C	C95534
PUBCHEM_683	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_683	Nc1c(cccc1C)C	C87627
PUBCHEM_683	N#Cc1cnccc1	C100549
PUBCHEM_683	Nc1cccc(C)c1	C108441
PUBCHEM_683	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_683	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_683	Nc1c(CC)cccc1CC	C579668
PUBCHEM_683	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_683	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_683	Nc1cccc(C)c1N	C2687254
PUBCHEM_683	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_683	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_683	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_683	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_683	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_683	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_683	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_683	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_683	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_683	CCCCCCCCN(C)C	C7378996
PUBCHEM_683	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_683	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_683	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_683	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_683	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_683	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_683	Cc1nc(Nc2ccccc2)nc(C#CC)c1	C110235477
PUBCHEM_683	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_683	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_683	[O-][n+]1c([S-])cccc1.[Na+]	C3811732
PUBCHEM_683	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_683	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_683	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_683	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_683	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_683	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_683	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_683	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_683	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_683	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_683	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_683	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_683	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_683	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_683	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_683	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_683	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_683	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_683	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_683	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_683	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_683	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_683	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_683	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_683	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_683	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_683	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_683	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_683	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_683	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_683	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_683	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_683	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_683	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_683	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_683	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_683	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_683	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_683	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_683	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_683	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_683	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_683	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_683	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_683	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_683	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_683	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_683	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_683	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_683	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_683	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_683	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_683	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_683	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_683	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_683	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_683	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_683	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_683	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_683	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_683	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_683	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_683	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_683	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_683	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_683	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_683	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_683	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_683	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_683	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_683	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_683	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_683	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_683	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_683	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_683	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_683	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_683	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_683	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_683	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_683	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_683	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_683	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_683	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_683	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_683	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_683	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_683	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_683	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_683	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_683	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_683	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_683	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_683	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_683	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_683	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_683	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_683	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_683	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_683	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_683	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_683	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_683	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_683	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_683	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_683	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_683	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_683	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_683	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_683	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_683	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_683	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_683	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_683	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_683	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_683	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_683	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_683	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_683	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_683	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_683	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_683	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_683	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_683	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_683	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_683	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_683	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_683	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_683	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_683	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_683	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_683	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_683	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_683	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_683	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_683	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_683	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_683	O=S(=O)(c1ncccc1S(=O)(=O)CC)NC(=O)Nc1nc(OC)cc(OC)n1	C122931480
PUBCHEM_683	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_683	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_683	NCc1cccc(CN)c1	C1477550
PUBCHEM_683	n1cc(C)ccc1	C108996
PUBCHEM_683	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_683	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_683	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_683	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_683	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_683	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_683	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_683	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_683	S=C(NC1CCCCC1)NC1CCCCC1	C1212299
PUBCHEM_683	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_683	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_683	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_683	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_683	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_683	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_683	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_683	NNc1ccccc1.Cl	C59881
PUBCHEM_683	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_683	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_683	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_683	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_683	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_683	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_683	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_683	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_683	Nc1ccc(Br)cc1	C106401
PUBCHEM_683	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_683	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_683	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_683	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_683	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_683	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_683	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_683	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_683	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_683	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_683	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_683	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_683	N(=C=NC1CCCCC1)C1CCCCC1	C538750
PUBCHEM_683	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_683	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_683	Nc1ccc(OC)cc1	C104949
PUBCHEM_683	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_683	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_683	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_683	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_683	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_683	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_683	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_683	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_683	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_683	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_683	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_683	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_683	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_683	N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)n1	C17824838
PUBCHEM_683	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_683	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_683	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_683	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_683	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_683	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_683	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_683	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_683	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_683	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_683	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_683	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_683	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_683	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_683	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_683	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_683	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_683	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_683	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_683	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_683	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_683	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_683	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_683	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_683	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_683	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_683	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_683	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_683	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_683	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_683	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_683	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_683	[O-][n+]1ccc([N+](=O)[O-])cc1	C1124330
PUBCHEM_683	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_683	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_683	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_683	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_683	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_683	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_683	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_683	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_683	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_683	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_683	O=S(=O)(N(c1ccccc1)SC(Cl)(Cl)F)N(C)C	C1085989
PUBCHEM_683	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_683	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_683	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_683	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_683	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_683	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_683	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_683	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_683	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_683	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_683	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_683	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_683	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_683	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_683	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_683	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_683	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_683	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_683	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_683	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_683	O=CN1CCCCC1	C2591868
PUBCHEM_683	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_683	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_683	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_683	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_683	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_683	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_683	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_683	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_683	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_683	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_683	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_683	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_683	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_683	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_683	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_683	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_683	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_683	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_683	Nc1cccc(C)n1	C1824813
PUBCHEM_683	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_683	CC1COc2ccccc2N1	C32329207
PUBCHEM_683	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_683	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_683	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_683	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_683	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_683	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_683	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_683	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_683	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_683	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_683	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_683	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_683	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_683	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_683	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_683	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_683	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_683	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_684	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_684	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_684	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_684	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_684	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_684	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_684	O=C1CCCCC1	C108941
PUBCHEM_684	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_684	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_684	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_684	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_684	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_684	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_684	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_684	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_684	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_684	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_684	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_684	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_684	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_684	NC(=O)c1cccnc1	C98920
PUBCHEM_684	OC(=O)c1cccnc1	C59676
PUBCHEM_684	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_684	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_684	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_684	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_684	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_684	O=CCc1ccccc1	C122781
PUBCHEM_684	CCCCCCCCCC=O	C112312
PUBCHEM_684	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_684	O=CCCCCCC	C111717
PUBCHEM_684	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_684	CCCCCCCCC=O	C124196
PUBCHEM_684	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_684	OC(=O)CCCC	C109524
PUBCHEM_684	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_684	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_684	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_684	O=Cc1ccccc1O	C90028
PUBCHEM_684	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_684	CCCCCC(=O)C	C110430
PUBCHEM_684	CCCCCCCCCC(=O)C	C112129
PUBCHEM_684	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_684	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_684	CCCCCC(=O)OCC	C123660
PUBCHEM_684	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_684	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_684	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_684	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_684	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_684	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_684	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_684	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_684	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_684	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_684	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_684	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_684	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_684	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_684	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_684	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_684	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_684	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_684	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_684	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_684	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_684	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_684	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_684	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_684	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_684	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_684	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_684	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_684	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_684	O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	C79277273
PUBCHEM_684	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_684	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_684	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_684	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_684	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_684	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_684	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_684	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_684	C(CC)(C=O)CCCC	C123057
PUBCHEM_684	c1c(CO)occ1	C98000
PUBCHEM_684	O=CCCCC=O	C111308
PUBCHEM_684	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_684	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_684	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_684	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_684	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_684	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_684	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_684	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_684	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_684	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_684	O=C(O)c1ccccc1O	C69727
PUBCHEM_684	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_684	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_684	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_684	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_684	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_684	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_684	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_684	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_684	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_684	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_684	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_684	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_684	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_684	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_684	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_684	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_684	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_684	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_684	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_684	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_684	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_684	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_684	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_684	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_684	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_684	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_684	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_684	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_684	O=C1CCCC1	C120923
PUBCHEM_684	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_684	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_684	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_684	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_684	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_684	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_684	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_684	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_684	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_684	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_684	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_684	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_684	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_684	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_684	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_684	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_684	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_684	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_684	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_684	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_684	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_684	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_684	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_684	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_684	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_684	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_684	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_684	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_684	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_684	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_684	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_684	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_684	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_684	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_684	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_684	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_684	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_684	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_684	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_684	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_684	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_684	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_684	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_684	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_684	O=C(c1ccccc1O)C	C118934
PUBCHEM_684	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_684	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_684	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_684	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_684	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_684	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_684	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_684	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_684	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_684	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_684	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_684	O=C1CCC(O1)CC	C695067
PUBCHEM_684	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_684	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_684	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_684	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_684	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_684	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_684	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_684	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_684	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_684	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_684	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_684	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_684	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_684	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_684	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_684	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_684	O=C(CC)CCCCC	C106683
PUBCHEM_684	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_684	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_684	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_684	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_684	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_684	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_684	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_684	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_684	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_684	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_684	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_684	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_684	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_684	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_684	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_684	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_684	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_684	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_684	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_684	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_684	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_684	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_684	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_684	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_684	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_684	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_684	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_684	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_684	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_684	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_684	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_684	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_684	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_684	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_684	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_684	O=C1OC(CCC)CC1	C105215
PUBCHEM_684	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_684	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_684	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_684	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_684	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_684	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_684	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_684	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_684	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_684	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_684	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_684	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_684	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_684	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_684	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_684	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_684	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_684	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_684	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_684	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_684	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_684	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_684	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_684	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_684	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_684	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_684	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_684	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_684	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_684	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_684	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_684	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_684	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_684	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_684	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_684	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_684	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_684	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_684	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_684	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_684	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_684	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_684	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_684	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_684	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_684	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_684	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_684	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_684	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_684	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_684	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_684	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_684	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_684	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_684	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_684	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_684	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_684	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_684	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_684	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_684	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_684	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_684	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_684	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_684	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_684	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_684	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_684	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_684	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_684	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_684	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_684	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_684	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_684	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_684	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_684	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_684	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_684	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_684	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_684	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_684	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_684	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_684	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_684	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_684	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_684	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_684	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_684	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_684	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_684	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_684	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_684	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_684	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_684	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_684	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_684	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_684	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_684	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_684	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_684	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_684	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_684	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_684	c1coc2c1cccc2	C271896
PUBCHEM_684	OC(=O)c1ccccc1	C65850
PUBCHEM_684	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_684	O=C1CCCCCN1	C105602
PUBCHEM_684	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_684	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_684	O=C(c1ccccc1)CCl	C532274
PUBCHEM_684	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_684	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_684	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_684	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_684	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_684	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_684	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_684	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_684	O=Cc1ccco1	C98011
PUBCHEM_684	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_684	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_684	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_684	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_684	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_684	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_684	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_684	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_684	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_684	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_684	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_684	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_684	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_684	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_684	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_684	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_684	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_684	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_684	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_684	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_684	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_684	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_684	CCCCCCCCCC(=O)O	C334485
PUBCHEM_684	O=C(O)CCCCCC	C111148
PUBCHEM_684	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_684	CCCCCC(=O)O	C142621
PUBCHEM_684	CCCCCCCCC(=O)O	C112050
PUBCHEM_684	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_684	CCCCCCCC=O	C124130
PUBCHEM_684	CCCCCCCC(=O)O	C124072
PUBCHEM_684	CCCCC=O	C110623
PUBCHEM_684	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_684	c1ccccc1C(=O)C	C98862
PUBCHEM_684	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_684	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_684	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_684	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_684	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_684	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_684	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_684	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_684	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_684	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_684	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_684	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_684	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_684	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_684	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_684	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_684	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_684	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_684	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_684	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_684	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_684	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_684	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_684	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_684	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_684	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_684	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_684	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_684	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_684	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_684	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_684	O=C(O)C(CCCC)CC	C149575
PUBCHEM_684	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_684	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_684	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_684	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_684	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_684	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_684	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_684	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_684	O=C(OC)CCCCCCC	C111115
PUBCHEM_684	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_684	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_684	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_684	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_684	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_684	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_684	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_684	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_684	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_684	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_684	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_684	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_684	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_684	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_684	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_684	O=Cc1ccccc1C=O	C643798
PUBCHEM_684	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_684	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_684	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_684	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_684	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_684	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_684	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_684	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_684	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_684	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_684	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_684	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_684	O=C(OCC)CCCCCC	C106309
PUBCHEM_684	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_684	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_684	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_684	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_684	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_684	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_684	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_684	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_684	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_684	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_684	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_684	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_684	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_684	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_684	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_684	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_684	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_684	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_684	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_684	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_684	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_684	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_684	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_684	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_684	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_684	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_684	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_684	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_684	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_684	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_684	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_684	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_684	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_684	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_684	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_684	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_684	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_684	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_684	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_684	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_684	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_684	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_684	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_684	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_684	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_684	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_684	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_684	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_684	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_684	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_684	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_684	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_684	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_684	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_684	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_684	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_684	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_684	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_684	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_684	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_684	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_684	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_684	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_684	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_684	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_684	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_684	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_684	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_684	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_684	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_684	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_684	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_684	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_684	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_684	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_684	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_684	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_684	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_684	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_684	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_684	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_684	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_684	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_684	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_684	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_684	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_684	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_684	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_684	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_684	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_684	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_684	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_684	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_684	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_684	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_684	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_684	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_684	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_684	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_684	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_684	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_684	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_684	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_684	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_684	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_684	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_684	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_684	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_684	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_684	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_684	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_684	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_684	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_684	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_684	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_684	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_684	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_684	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_684	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_684	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_684	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_684	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_684	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_684	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_684	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_684	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_684	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_684	O=C(OCC)c1ccccc1	C93890
PUBCHEM_684	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_684	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_684	CC(=O)CCC(C)C	C110123
PUBCHEM_684	CCCCCC=O	C66251
PUBCHEM_684	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_684	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_684	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_684	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_684	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_684	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_684	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_684	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_684	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_684	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_684	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_684	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_684	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_684	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_684	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_684	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_684	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_684	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_684	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_684	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_684	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_684	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_684	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_684	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_684	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_684	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_684	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_684	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_684	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_684	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_684	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_684	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_684	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_684	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_684	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_684	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_684	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_684	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_684	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_684	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_684	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_684	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_684	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_684	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_684	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_684	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_684	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_684	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_684	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_684	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_684	O=CCCCCCCCCC=C	C112458
PUBCHEM_684	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_684	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_684	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_684	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_684	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_684	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_684	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_684	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_684	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_684	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_684	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_684	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_684	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_684	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_684	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_684	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_684	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_684	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_684	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_684	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_684	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_684	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_684	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_684	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_684	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_684	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_684	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_684	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_684	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_684	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_684	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_684	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_684	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_684	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_684	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_684	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_684	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_684	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_684	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_684	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_684	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_684	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_684	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_684	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_684	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_684	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_684	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_684	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_684	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_684	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_684	CCCCCc1ccco1	C3777693
PUBCHEM_684	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_685	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_685	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_685	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_685	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_685	O=C1NCCC1	C616455
PUBCHEM_685	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_685	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_685	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_685	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_685	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_685	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_685	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_685	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_685	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_685	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_685	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_685	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_685	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_685	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_685	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_685	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_685	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_685	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_685	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_685	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_685	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_685	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_685	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_685	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_685	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_685	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_685	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_685	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_685	O=P(OC)(SCn1c2ncc(Cl)cc2oc1=O)OC	C35575963
PUBCHEM_685	O=c1n(c2ccccc2)ncc(N)c1Cl	C1698608
PUBCHEM_685	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_685	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_685	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_685	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_685	O=C(c1ccncc1)NN	C54853
PUBCHEM_685	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_685	O=C1N(CCC1)C	C872504
PUBCHEM_685	O=[N+](c1ccc(o1)/C=N/NC(=O)N)[O-]	C59870
PUBCHEM_685	O=C1NC(=O)CN1N=Cc1ccc([N+](=O)[O-])o1	C67209
PUBCHEM_685	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_685	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_685	O=C1N(C=C)CCC1	C88120
PUBCHEM_685	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_685	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_685	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_685	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_685	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_685	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_685	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_685	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_685	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_685	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_685	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_685	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_685	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_685	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_685	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_685	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_685	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_685	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_685	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_685	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_685	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_685	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_685	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_685	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_685	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_685	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_685	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_685	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_685	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_685	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_685	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_685	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_685	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_685	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_685	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_685	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_685	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_685	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_685	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_685	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_685	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_685	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_685	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_685	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_685	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_685	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_685	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_685	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_686	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_686	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_686	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_686	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_686	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_686	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_686	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_686	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_686	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_686	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_686	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_686	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_686	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_686	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_686	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_686	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_686	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_686	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_686	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_686	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_686	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_686	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_686	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_686	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_686	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_686	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_686	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_686	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_686	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_686	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_686	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_686	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_686	O=C1CCC(O1)CC	C695067
PUBCHEM_686	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_686	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_686	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_686	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_686	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_686	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_686	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_686	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_686	O=C1OC(CCC)CC1	C105215
PUBCHEM_686	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_686	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_686	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_686	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_686	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_686	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_686	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_686	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_686	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_686	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_686	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_686	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_686	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_686	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_686	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_686	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_686	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_686	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_686	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_686	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_686	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_686	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_686	O=C1CCCO1	C96480
PUBCHEM_686	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_686	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_686	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_686	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_686	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_686	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_686	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_686	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_686	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_686	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_686	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_686	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_686	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_686	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_686	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_686	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_686	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_686	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_686	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_686	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_686	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_686	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_686	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_686	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_686	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_686	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_686	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_686	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_686	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_686	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_686	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_686	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_686	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_686	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_686	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_686	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_686	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_686	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_686	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_686	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_686	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_686	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_686	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_686	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_686	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_686	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_686	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_686	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_686	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_686	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_686	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_686	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_686	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_686	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_686	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_686	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_686	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_686	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_686	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_686	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_686	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_686	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_686	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_686	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_686	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_686	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_686	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_686	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_686	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_686	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_686	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_686	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_686	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_686	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_686	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_686	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_686	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_686	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_686	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_686	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_686	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_687	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_687	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_687	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_687	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_687	C(=O)(O)CCC(=O)O	C110156
PUBCHEM_687	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_687	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_687	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_687	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_687	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_687	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_687	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_687	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_687	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_687	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_687	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_687	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_687	O=C(OCC(C)C)C(S(=O)(=O)[O-])CC(=O)OCC(C)C.[Na+]	C127399
PUBCHEM_687	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_687	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_687	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_687	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_687	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_687	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_687	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_687	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_687	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_687	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_687	O=S(=O)(C(C(=O)O)CC(=O)O)O	C5138181
PUBCHEM_687	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_687	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_687	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_687	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_687	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_687	O=C(CCC(=O)O)NN(C)C	C1596845
PUBCHEM_687	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_687	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	C1634782
PUBCHEM_687	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	C121755
PUBCHEM_687	O=c1ccc(=O)[nH][nH]1	C123331
PUBCHEM_687	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_687	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_687	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_687	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_687	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_687	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_687	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_687	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_687	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_687	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_687	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_687	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_687	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_687	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_687	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_687	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_687	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_687	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_687	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_687	O=C(O)[C@H](O)[C@@H](O)C(=O)O	C87694
PUBCHEM_687	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_687	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_687	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_687	C(=O)(OC)CCC(=O)OC	C106650
PUBCHEM_687	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_687	O=C(O)C(O)CC(=O)O	C6915157
PUBCHEM_687	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_687	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_687	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_687	O=Cc1ccccc1C=O	C643798
PUBCHEM_687	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_687	O=C(OCC)CCC(=O)OCC	C123251
PUBCHEM_687	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_687	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_687	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_687	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_687	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_687	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_687	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_687	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_687	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_687	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_687	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_687	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_687	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_687	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_687	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_687	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_687	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_687	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_687	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_687	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_687	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_687	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_687	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_687	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_688	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_688	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_688	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_688	CC(=O)OCc1ccccc1	C140114
PUBCHEM_688	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_688	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_688	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_688	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_688	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_688	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_688	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_688	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_688	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_688	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_688	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_688	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_688	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_688	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_688	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_688	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_688	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_688	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_688	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_688	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_688	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_688	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_688	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_688	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_688	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_688	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_688	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_688	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_688	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_688	c1cccc2[nH]ccc12	C120729
PUBCHEM_688	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_688	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_688	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_688	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_688	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_688	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_688	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_688	C=Cc1ccc(cc1)C	C622979
PUBCHEM_688	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_688	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_688	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_688	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_688	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_688	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_688	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_688	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_688	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_688	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_688	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_688	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_688	Nc1ccccc1C.Cl	C636215
PUBCHEM_688	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_688	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_688	O=CCc1ccccc1	C122781
PUBCHEM_688	CCCCCCCCCC=O	C112312
PUBCHEM_688	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_688	O=CCCCCCC	C111717
PUBCHEM_688	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_688	CCCCCCCCC=O	C124196
PUBCHEM_688	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_688	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_688	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_688	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_688	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_688	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_688	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_688	O=Cc1ccccc1O	C90028
PUBCHEM_688	Oc1cccc2ccccc12	C90153
PUBCHEM_688	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_688	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_688	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_688	CCCCCC(=O)C	C110430
PUBCHEM_688	CCCCCCCO	C111706
PUBCHEM_688	CCCCCCCCCC(=O)C	C112129
PUBCHEM_688	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_688	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_688	Oc1ccc(CC)cc1	C123079
PUBCHEM_688	CCCCCCCCCCCCN	C124221
PUBCHEM_688	CCCCCCCCCO	C143088
PUBCHEM_688	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_688	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_688	Oc1ccc(CCC)cc1	C645567
PUBCHEM_688	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_688	CCCCCCCCCCN	C2016571
PUBCHEM_688	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_688	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_688	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_688	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_688	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_688	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_688	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_688	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_688	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_688	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_688	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_688	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_688	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_688	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_688	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_688	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_688	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_688	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_688	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_688	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_688	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_688	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_688	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_688	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_688	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_688	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_688	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_688	c1(c(CC)cccc1)O	C90006
PUBCHEM_688	c1c(O)cccc1CC	C620177
PUBCHEM_688	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_688	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_688	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_688	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_688	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_688	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_688	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_688	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_688	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_688	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_688	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_688	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_688	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_688	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_688	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_688	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_688	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_688	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_688	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_688	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_688	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_688	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_688	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_688	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_688	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_688	Cc1cc(O)ccc1	C108394
PUBCHEM_688	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_688	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_688	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_688	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_688	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_688	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_688	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_688	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_688	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_688	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_688	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_688	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_688	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_688	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_688	Cc1c(C)cccc1O	C526750
PUBCHEM_688	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_688	C=Cc1ccccc1C=C	C1321740
PUBCHEM_688	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_688	C(CCCCCC)CCCCCS	C112550
PUBCHEM_688	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_688	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_688	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_688	C(CC)(C=O)CCCC	C123057
PUBCHEM_688	OCC(C(O)CCC)CC	C94962
PUBCHEM_688	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_688	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_688	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_688	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_688	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_688	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_688	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_688	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_688	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_688	C(CCCCCCC)C	C111842
PUBCHEM_688	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_688	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_688	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_688	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_688	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_688	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_688	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_688	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_688	c12ccccc1CCCC2	C119642
PUBCHEM_688	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_688	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_688	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_688	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_688	Cc1cccc(C)c1	C108383
PUBCHEM_688	OCCc1ccccc1	C60128
PUBCHEM_688	O=C(O)c1ccccc1O	C69727
PUBCHEM_688	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_688	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_688	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_688	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_688	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_688	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_688	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_688	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_688	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_688	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_688	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_688	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_688	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_688	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_688	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_688	OC(CCCCCC)C	C123966
PUBCHEM_688	Oc1ccc2ccccc2c1	C135193
PUBCHEM_688	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_688	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_688	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_688	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_688	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_688	CC1=CCC(=C(C)C)CC1	C586629
PUBCHEM_688	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_688	Nc1cccc(C)c1C	C1300738
PUBCHEM_688	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_688	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_688	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_688	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_688	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_688	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_688	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_688	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_688	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_688	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_688	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_688	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_688	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_688	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_688	Nc1c(C)cccc1CC	C24549062
PUBCHEM_688	Clc1cccc(C)c1	C25168052
PUBCHEM_688	SC(C)(C)CCCCCC	C25360105
PUBCHEM_688	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_688	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_688	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_688	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_688	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_688	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_688	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_688	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_688	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_688	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_688	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_688	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_688	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_688	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_688	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_688	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_688	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_688	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_688	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_688	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_688	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_688	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_688	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_688	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_688	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_688	OCC(CCC)CCCCC	C10042598
PUBCHEM_688	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_688	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_688	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_688	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_688	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_688	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_688	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_688	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_688	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_688	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_688	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_688	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_688	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_688	OCCSCCCCCCCC	C3547339
PUBCHEM_688	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_688	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_688	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_688	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_688	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_688	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_688	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_688	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_688	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_688	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_688	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_688	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_688	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_688	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_688	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_688	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_688	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_688	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_688	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_688	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_688	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_688	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_688	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_688	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_688	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_688	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_688	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_688	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_688	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_688	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_688	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_688	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_688	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_688	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_688	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_688	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_688	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_688	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_688	OC(CCCCC)C=C	C3391864
PUBCHEM_688	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_688	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_688	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_688	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_688	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_688	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_688	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_688	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_688	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_688	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_688	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_688	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_688	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_688	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_688	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_688	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_688	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_688	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_688	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_688	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_688	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_688	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_688	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_688	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_688	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_688	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_688	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_688	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_688	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_688	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_688	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_688	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_688	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_688	O=C(c1ccccc1O)C	C118934
PUBCHEM_688	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_688	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_688	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_688	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_688	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_688	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_688	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_688	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_688	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_688	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_688	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_688	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_688	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_688	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_688	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_688	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_688	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_688	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_688	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_688	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_688	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_688	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_688	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_688	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_688	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_688	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_688	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_688	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_688	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_688	Oc1ccccc1CN(C)C	C120650
PUBCHEM_688	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_688	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_688	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_688	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_688	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_688	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_688	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_688	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_688	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_688	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_688	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_688	OCC=Cc1ccccc1	C104541
PUBCHEM_688	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_688	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_688	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_688	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_688	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_688	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_688	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_688	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_688	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_688	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_688	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_688	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_688	N#Cc1c(O)cccc1	C611201
PUBCHEM_688	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_688	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_688	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_688	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_688	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_688	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_688	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_688	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_688	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_688	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_688	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_688	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_688	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_688	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_688	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_688	OCCOCC(CC)CCCC	C1559359
PUBCHEM_688	O=C(CC)CCCCC	C106683
PUBCHEM_688	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_688	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_688	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_688	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_688	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_688	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_688	c12ccccc1CC=C2	C95136
PUBCHEM_688	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_688	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_688	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_688	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_688	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_688	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_688	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_688	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_688	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_688	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_688	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_688	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_688	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_688	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_688	COc1ccc(CCC)cc1	C104450
PUBCHEM_688	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_688	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_688	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_688	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_688	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_688	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_688	OC(CO)c1ccccc1	C93561
PUBCHEM_688	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_688	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_688	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_688	O=C(C)OCCCCCCCC	C112141
PUBCHEM_688	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_688	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_688	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_688	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_688	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_688	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_688	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_688	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_688	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_688	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_688	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_688	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_688	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_688	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_688	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_688	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_688	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_688	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_688	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_688	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_688	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_688	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_688	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_688	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_688	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_688	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_688	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_688	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_688	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_688	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_688	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_688	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_688	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_688	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_688	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_688	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_688	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_688	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_688	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_688	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_688	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_688	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_688	O=C1OC(CCC)CC1	C105215
PUBCHEM_688	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_688	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_688	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_688	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_688	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_688	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_688	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_688	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_688	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_688	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_688	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_688	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_688	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_688	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_688	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_688	Sc1ccc(C)cc1	C106456
PUBCHEM_688	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_688	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_688	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_688	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_688	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_688	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_688	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_688	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_688	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_688	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_688	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_688	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_688	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_688	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_688	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_688	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_688	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_688	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_688	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_688	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_688	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_688	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_688	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_688	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_688	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_688	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_688	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_688	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_688	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_688	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_688	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_688	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_688	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_688	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_688	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_688	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_688	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_688	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_688	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_688	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_688	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_688	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_688	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_688	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_688	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_688	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_688	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_688	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_688	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_688	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_688	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_688	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_688	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_688	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_688	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_688	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_688	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_688	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_688	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_688	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_688	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_688	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_688	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_688	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_688	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_688	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_688	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_688	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_688	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_688	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_688	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_688	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_688	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_688	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_688	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_688	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_688	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_688	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_688	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_688	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_688	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_688	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_688	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_688	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_688	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_688	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_688	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_688	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_688	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_688	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_688	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_688	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_688	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_688	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_688	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_688	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_688	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_688	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_688	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_688	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_688	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_688	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_688	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_688	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_688	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_688	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_688	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_688	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_688	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_688	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_688	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_688	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_688	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_688	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_688	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_688	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_688	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_688	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_688	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_688	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_688	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_688	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_688	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_688	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_688	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_688	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_688	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_688	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_688	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_688	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_688	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_688	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_688	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_688	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_688	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_688	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_688	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_688	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_688	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_688	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_688	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_688	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_688	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_688	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_688	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_688	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_688	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_688	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_688	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_688	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_688	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_688	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_688	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_688	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_688	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_688	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_688	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_688	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_688	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_688	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_688	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_688	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_688	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_688	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_688	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_688	c1coc2c1cccc2	C271896
PUBCHEM_688	OC(=O)c1ccccc1	C65850
PUBCHEM_688	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_688	OCc1ccccc1	C100516
PUBCHEM_688	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_688	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_688	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_688	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_688	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_688	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_688	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_688	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_688	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_688	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_688	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_688	O=C(c1ccccc1)CCl	C532274
PUBCHEM_688	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_688	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_688	Nc1cc(ccc1OC)C	C120718
PUBCHEM_688	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_688	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_688	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_688	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_688	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_688	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_688	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_688	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_688	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_688	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_688	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_688	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_688	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_688	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_688	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_688	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_688	CCC(CCCC)CO	C104767
PUBCHEM_688	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_688	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_688	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_688	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_688	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_688	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_688	Oc1cccc2cccnc12	C148243
PUBCHEM_688	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_688	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_688	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_688	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_688	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_688	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_688	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_688	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_688	Cc1cc2cccnc2cc1	C91623
PUBCHEM_688	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_688	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_688	c1c2c(ccc1)cccc2	C91203
PUBCHEM_688	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_688	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_688	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_688	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_688	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_688	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_688	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_688	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_688	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_688	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_688	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_688	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_688	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_688	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_688	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_688	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_688	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_688	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_688	C1C(c2ccccc2)O1	C96093
PUBCHEM_688	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_688	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_688	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_688	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_688	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_688	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_688	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_688	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_688	CCCCCCCCCC(=O)O	C334485
PUBCHEM_688	O=C(O)CCCCCC	C111148
PUBCHEM_688	CCCCCCCCC(=O)O	C112050
PUBCHEM_688	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_688	CCCCCCCC=O	C124130
PUBCHEM_688	CCCCCCCC(=O)O	C124072
PUBCHEM_688	CCCCCCCCCCC	C1120214
PUBCHEM_688	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_688	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_688	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_688	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_688	n1cccc2c1cccc2	C91225
PUBCHEM_688	Oc1c(C)cccc1	C95487
PUBCHEM_688	c1ccccc1C(=O)C	C98862
PUBCHEM_688	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_688	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_688	CCNc1cc(C)ccc1	C102272
PUBCHEM_688	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_688	Oc1ccc(C)cc1	C106445
PUBCHEM_688	Nc1ccc(C)cc1	C106490
PUBCHEM_688	CCCCCCCCO	C111875
PUBCHEM_688	CCCCCCCCCCO	C112301
PUBCHEM_688	CCCCCCCCCCCCCO	C112709
PUBCHEM_688	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_688	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_688	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_688	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_688	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_688	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_688	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_688	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_688	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_688	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_688	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_688	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_688	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_688	c1(CCCC)ccccc1	C104518
PUBCHEM_688	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_688	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_688	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_688	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_688	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_688	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_688	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_688	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_688	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_688	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_688	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_688	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_688	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_688	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_688	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_688	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_688	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_688	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_688	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_688	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_688	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_688	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_688	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_688	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_688	Cc1ccccc1Cl	C95498
PUBCHEM_688	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_688	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_688	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_688	Oc1c(cccc1C)C	C576261
PUBCHEM_688	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_688	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_688	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_688	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_688	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_688	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_688	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_688	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_688	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_688	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_688	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_688	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_688	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_688	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_688	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_688	Cc1ccc(Cl)cc1	C106434
PUBCHEM_688	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_688	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_688	C(CCCCCCCC)C	C124185
PUBCHEM_688	Nc1cc(C)ccc1N	C496720
PUBCHEM_688	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_688	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_688	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_688	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_688	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_688	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_688	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_688	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_688	O=C(O)C(CCCC)CC	C149575
PUBCHEM_688	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_688	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_688	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_688	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_688	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_688	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_688	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_688	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_688	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_688	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_688	Nc1c(cccc1)C	C95534
PUBCHEM_688	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_688	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_688	Nc1c(cccc1C)C	C87627
PUBCHEM_688	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_688	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_688	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_688	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_688	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_688	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_688	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_688	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_688	Nc1cccc(C)c1	C108441
PUBCHEM_688	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_688	O=C(OC)CCCCCCC	C111115
PUBCHEM_688	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_688	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_688	OCCCCCCCCCCC	C112425
PUBCHEM_688	OCCCCCCCCCCCC	C112538
PUBCHEM_688	OCCCCCCCCCCCCCC	C112721
PUBCHEM_688	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_688	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_688	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_688	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_688	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_688	Nc1c(CC)cccc1CC	C579668
PUBCHEM_688	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_688	CCCCCCCCCCCCCCC	C629629
PUBCHEM_688	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_688	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_688	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_688	Nc1cccc(C)c1N	C2687254
PUBCHEM_688	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_688	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_688	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_688	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_688	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_688	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_688	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_688	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_688	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_688	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_688	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_688	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_688	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_688	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_688	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_688	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_688	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_688	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_688	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_688	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_688	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_688	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_688	O=Cc1ccccc1C=O	C643798
PUBCHEM_688	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_688	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_688	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_688	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_688	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_688	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_688	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_688	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_688	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_688	CCCCCCCCN(C)C	C7378996
PUBCHEM_688	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_688	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_688	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_688	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_688	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_688	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_688	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_688	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_688	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_688	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_688	O=C(OCC)CCCCCC	C106309
PUBCHEM_688	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_688	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_688	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_688	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_688	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_688	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_688	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_688	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_688	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_688	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_688	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_688	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_688	CCCc1ccccc1	C103651
PUBCHEM_688	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_688	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_688	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_688	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_688	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_688	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_688	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_688	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_688	CC(C)(C)c1ccccc1	C98066
PUBCHEM_688	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_688	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_688	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_688	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_688	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_688	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_688	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_688	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_688	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_688	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_688	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_688	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_688	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_688	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_688	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_688	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_688	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_688	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_688	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_688	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_688	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_688	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_688	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_688	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_688	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_688	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_688	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_688	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_688	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_688	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_688	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_688	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_688	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_688	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_688	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_688	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_688	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_688	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_688	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_688	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_688	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_688	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_688	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_688	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_688	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_688	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_688	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_688	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_688	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_688	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_688	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_688	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_688	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_688	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_688	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_688	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_688	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_688	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_688	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_688	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_688	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_688	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_688	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_688	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_688	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_688	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_688	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_688	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_688	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_688	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_688	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_688	O=C(N1CC(F)(F)C[C@H]1C#N)CNC1CC2CCC(N2c2ncccn2)C1	CNOCAS47346
PUBCHEM_688	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_688	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_688	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_688	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_688	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_688	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_688	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_688	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_688	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_688	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_688	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_688	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_688	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_688	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_688	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_688	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_688	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_688	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_688	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_688	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_688	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_688	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_688	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_688	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_688	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_688	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_688	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_688	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_688	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_688	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_688	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_688	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_688	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_688	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_688	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_688	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_688	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_688	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_688	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_688	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_688	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_688	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_688	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_688	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_688	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_688	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_688	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_688	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_688	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_688	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_688	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_688	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_688	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_688	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_688	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_688	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_688	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_688	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_688	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_688	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_688	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_688	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_688	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_688	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_688	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_688	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_688	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_688	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_688	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_688	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_688	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_688	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_688	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_688	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_688	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_688	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_688	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_688	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_688	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_688	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_688	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_688	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_688	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_688	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_688	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_688	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_688	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_688	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_688	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_688	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_688	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_688	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_688	O=C(OCC)c1ccccc1	C93890
PUBCHEM_688	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_688	NCc1cccc(CN)c1	C1477550
PUBCHEM_688	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_688	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_688	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_688	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_688	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_688	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_688	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_688	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_688	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_688	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_688	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_688	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_688	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_688	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_688	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_688	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_688	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_688	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_688	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_688	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_688	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_688	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_688	N#Cc1ccccc1	C100470
PUBCHEM_688	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_688	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_688	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_688	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_688	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_688	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_688	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_688	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_688	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_688	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_688	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_688	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_688	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_688	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_688	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_688	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_688	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_688	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_688	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_688	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_688	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_688	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_688	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_688	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_688	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_688	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_688	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_688	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_688	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_688	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_688	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_688	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_688	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_688	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_688	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_688	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_688	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_688	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_688	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_688	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_688	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_688	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_688	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_688	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_688	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_688	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_688	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_688	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_688	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_688	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_688	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_688	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_688	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_688	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_688	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_688	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_688	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_688	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_688	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_688	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_688	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_688	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_688	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_688	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_688	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_688	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_688	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_688	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_688	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_688	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_688	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_688	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_688	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_688	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_688	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_688	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_688	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_688	O=CCCCCCCCCC=C	C112458
PUBCHEM_688	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_688	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_688	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_688	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_688	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_688	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_688	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_688	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_688	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_688	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_688	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_688	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_688	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_688	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_688	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_688	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_688	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_688	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_688	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_688	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_688	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_688	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_688	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_688	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_688	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_688	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_688	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_688	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_688	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_688	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_688	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_688	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_688	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_688	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_688	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_688	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_688	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_688	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_688	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_688	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_688	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_688	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_688	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_688	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_688	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_688	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_688	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_688	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_688	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_688	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_688	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_688	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_688	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_688	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_688	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_688	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_688	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_688	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_688	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_688	BrCCCCCCCCCCCC	C143157
PUBCHEM_688	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_688	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_688	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_688	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_688	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_688	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_688	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_688	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_688	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_688	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_688	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_688	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_688	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_688	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_688	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_688	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_688	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_688	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_688	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_688	NCCCOCCCCCCCC	C15930662
PUBCHEM_688	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_688	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_688	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_688	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_688	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_688	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_688	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_688	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_688	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_688	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_688	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_688	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_688	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_688	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_688	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_688	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_688	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_688	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_688	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_688	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_688	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_688	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_688	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_688	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_688	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_688	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_688	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_688	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_688	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_688	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_688	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_688	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_688	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_688	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_688	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_688	CCCCCc1ccco1	C3777693
PUBCHEM_688	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_689	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_689	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_689	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_689	CC(=O)OCc1ccccc1	C140114
PUBCHEM_689	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_689	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_689	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_689	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_689	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_689	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_689	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_689	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_689	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_689	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_689	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_689	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_689	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_689	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_689	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_689	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_689	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_689	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_689	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_689	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_689	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_689	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_689	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_689	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_689	COc1ccc(cc1)O	C150765
PUBCHEM_689	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_689	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_689	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_689	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_689	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_689	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_689	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_689	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_689	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_689	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_689	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_689	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_689	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_689	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_689	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_689	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_689	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_689	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_689	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_689	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_689	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_689	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_689	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_689	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_689	O=Cc1ccccc1O	C90028
PUBCHEM_689	Oc1cccc2ccccc12	C90153
PUBCHEM_689	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_689	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_689	c1ccccc1Oc1ccccc1	C101848
PUBCHEM_689	Oc1ccc(Cl)cc1	C106489
PUBCHEM_689	C1CCCCC1O	C108930
PUBCHEM_689	CCCCCCO	C111273
PUBCHEM_689	CCCCCCCO	C111706
PUBCHEM_689	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_689	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_689	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_689	Oc1ccc(CC)cc1	C123079
PUBCHEM_689	CCCCCC(=O)OCC	C123660
PUBCHEM_689	CCCCCCCCCO	C143088
PUBCHEM_689	COc1ccc(OC)cc1	C150787
PUBCHEM_689	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_689	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_689	Oc1ccc(CCC)cc1	C645567
PUBCHEM_689	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_689	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_689	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_689	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_689	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_689	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_689	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_689	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_689	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_689	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_689	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_689	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_689	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_689	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_689	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_689	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_689	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_689	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_689	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_689	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_689	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_689	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_689	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_689	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_689	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_689	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_689	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_689	c1(c(CC)cccc1)O	C90006
PUBCHEM_689	c1c(O)cccc1CC	C620177
PUBCHEM_689	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_689	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_689	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_689	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_689	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_689	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_689	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_689	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_689	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_689	c1cccc(OC)c1O	C90051
PUBCHEM_689	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_689	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_689	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_689	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_689	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_689	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_689	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_689	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_689	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_689	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_689	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_689	Cc1cc(O)ccc1	C108394
PUBCHEM_689	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_689	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_689	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_689	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_689	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_689	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_689	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_689	Cc1c(C)cccc1O	C526750
PUBCHEM_689	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_689	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_689	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_689	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_689	OCC(C(O)CCC)CC	C94962
PUBCHEM_689	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_689	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_689	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_689	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_689	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_689	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_689	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_689	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_689	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_689	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_689	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_689	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_689	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_689	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_689	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_689	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_689	OCCc1ccccc1	C60128
PUBCHEM_689	O=C(O)c1ccccc1O	C69727
PUBCHEM_689	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_689	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_689	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_689	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_689	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_689	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_689	c1(OCCOc2ccccc2)ccccc1	C104665
PUBCHEM_689	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_689	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_689	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_689	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_689	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_689	OC(CCCCCC)C	C123966
PUBCHEM_689	Oc1ccc2ccccc2c1	C135193
PUBCHEM_689	[O-]c1ccccc1.[Na+]	C139026
PUBCHEM_689	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_689	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_689	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_689	OC(C)COc1ccccc1	C770354
PUBCHEM_689	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_689	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_689	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_689	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_689	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_689	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_689	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_689	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_689	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_689	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_689	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_689	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_689	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_689	O=C(OC1CCCCC1)C(S(=O)(=O)[O-])CC(=O)OC1CCCCC1.[Na+]	C23386529
PUBCHEM_689	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_689	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_689	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_689	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_689	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_689	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_689	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_689	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_689	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_689	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_689	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_689	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_689	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_689	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_689	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_689	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_689	OCC(CCC)CCCCC	C10042598
PUBCHEM_689	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_689	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_689	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_689	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_689	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_689	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_689	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_689	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_689	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_689	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_689	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_689	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_689	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_689	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_689	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_689	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_689	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_689	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_689	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_689	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_689	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_689	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_689	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_689	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_689	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_689	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_689	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_689	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_689	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_689	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_689	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_689	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_689	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_689	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_689	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_689	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_689	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_689	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_689	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_689	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_689	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_689	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_689	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_689	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_689	OC(CCCCC)C=C	C3391864
PUBCHEM_689	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_689	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_689	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_689	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_689	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_689	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_689	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_689	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_689	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_689	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_689	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_689	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_689	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_689	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_689	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_689	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_689	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_689	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_689	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_689	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_689	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_689	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_689	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_689	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_689	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_689	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_689	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_689	O=C(c1ccccc1O)C	C118934
PUBCHEM_689	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_689	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_689	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_689	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_689	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_689	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_689	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_689	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_689	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_689	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_689	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_689	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_689	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_689	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_689	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_689	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_689	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_689	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_689	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_689	Oc1ccccc1CN(C)C	C120650
PUBCHEM_689	O=C1CCC(O1)CC	C695067
PUBCHEM_689	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_689	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_689	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_689	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_689	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_689	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_689	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_689	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_689	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_689	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_689	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_689	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_689	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_689	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_689	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_689	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_689	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_689	N#Cc1c(O)cccc1	C611201
PUBCHEM_689	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_689	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_689	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_689	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_689	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_689	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_689	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_689	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_689	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_689	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_689	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_689	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
PUBCHEM_689	OCCOCC(CC)CCCC	C1559359
PUBCHEM_689	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_689	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_689	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_689	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_689	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_689	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_689	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_689	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_689	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_689	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_689	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_689	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_689	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_689	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_689	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_689	Oc1c(OCC)cccc1	C94713
PUBCHEM_689	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_689	COc1ccc(CCC)cc1	C104450
PUBCHEM_689	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_689	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_689	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_689	OC(CO)c1ccccc1	C93561
PUBCHEM_689	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_689	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_689	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_689	O=C(C)OCCCCCCCC	C112141
PUBCHEM_689	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_689	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_689	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_689	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_689	O=C(C(Cl)Cl)N1CCOC21CCCCC2	C71526073
PUBCHEM_689	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_689	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_689	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_689	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_689	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_689	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_689	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_689	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_689	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_689	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_689	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_689	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_689	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_689	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_689	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_689	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_689	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_689	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_689	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_689	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_689	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_689	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_689	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_689	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_689	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_689	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_689	O=C1OC(CCC)CC1	C105215
PUBCHEM_689	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_689	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_689	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_689	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_689	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_689	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_689	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_689	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_689	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_689	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_689	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_689	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_689	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_689	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_689	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_689	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_689	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
PUBCHEM_689	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_689	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_689	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_689	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_689	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_689	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_689	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_689	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_689	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_689	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_689	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_689	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_689	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_689	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_689	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_689	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_689	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_689	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_689	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_689	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_689	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_689	c1ccccc1OCCO	C122996
PUBCHEM_689	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_689	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_689	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_689	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_689	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_689	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_689	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_689	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_689	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_689	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_689	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_689	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_689	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_689	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_689	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_689	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_689	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_689	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_689	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_689	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_689	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_689	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_689	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_689	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_689	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_689	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_689	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_689	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_689	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_689	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_689	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_689	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_689	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_689	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_689	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_689	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_689	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_689	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_689	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_689	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_689	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_689	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_689	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_689	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_689	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_689	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_689	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_689	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_689	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_689	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_689	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_689	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_689	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_689	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_689	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_689	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_689	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_689	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_689	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_689	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_689	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_689	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_689	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_689	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_689	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_689	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_689	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_689	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_689	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_689	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_689	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_689	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_689	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_689	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_689	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_689	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_689	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_689	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_689	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_689	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_689	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_689	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_689	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_689	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_689	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_689	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_689	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_689	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_689	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_689	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_689	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_689	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_689	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_689	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_689	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_689	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_689	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_689	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_689	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_689	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_689	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_689	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_689	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_689	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_689	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_689	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_689	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_689	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_689	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_689	c1coc2c1cccc2	C271896
PUBCHEM_689	OC(=O)c1ccccc1	C65850
PUBCHEM_689	OCc1ccccc1	C100516
PUBCHEM_689	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_689	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_689	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_689	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_689	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_689	Oc1c(cccc1)O	C120809
PUBCHEM_689	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_689	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_689	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_689	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_689	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_689	Nc1cc(ccc1OC)C	C120718
PUBCHEM_689	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_689	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_689	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_689	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_689	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_689	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_689	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_689	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_689	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_689	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_689	CCC(CCCC)CO	C104767
PUBCHEM_689	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_689	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_689	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_689	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_689	Oc1ccc(cc1)O	C123319
PUBCHEM_689	Oc1cccc2cccnc12	C148243
PUBCHEM_689	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_689	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_689	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_689	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_689	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_689	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_689	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_689	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_689	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_689	Oc1ccccc1	C108952
PUBCHEM_689	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_689	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_689	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_689	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_689	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_689	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_689	Oc1cc(ccc1)O	C108463
PUBCHEM_689	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_689	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_689	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_689	C1C(c2ccccc2)O1	C96093
PUBCHEM_689	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_689	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_689	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_689	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_689	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_689	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_689	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_689	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_689	Oc1ccccc1Cl	C95578
PUBCHEM_689	CCCCCCCCCC(=O)O	C334485
PUBCHEM_689	O=C(O)CCCCCC	C111148
PUBCHEM_689	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_689	CCCCCC(=O)O	C142621
PUBCHEM_689	CCCCCCCCC(=O)O	C112050
PUBCHEM_689	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_689	CCCCCCCC(=O)O	C124072
PUBCHEM_689	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_689	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_689	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_689	Oc1c(C)cccc1	C95487
PUBCHEM_689	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_689	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_689	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_689	Oc1ccc(C)cc1	C106445
PUBCHEM_689	CCCCCCCCO	C111875
PUBCHEM_689	CCCCCCCCCCO	C112301
PUBCHEM_689	CCCCCCCCCCCCCO	C112709
PUBCHEM_689	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
PUBCHEM_689	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_689	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_689	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_689	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_689	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_689	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_689	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_689	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_689	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_689	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_689	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_689	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_689	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_689	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_689	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_689	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_689	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_689	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_689	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_689	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_689	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_689	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_689	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_689	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_689	Nc1c(OC)cccc1	C90040
PUBCHEM_689	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_689	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_689	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_689	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_689	Oc1c(cccc1C)C	C576261
PUBCHEM_689	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_689	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_689	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_689	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_689	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_689	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_689	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_689	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_689	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_689	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_689	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_689	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_689	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_689	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_689	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_689	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_689	O=C(O)C(CCCC)CC	C149575
PUBCHEM_689	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_689	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_689	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_689	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_689	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_689	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_689	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_689	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_689	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
PUBCHEM_689	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_689	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_689	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_689	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_689	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_689	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_689	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_689	O=C(OC)CCCCCCC	C111115
PUBCHEM_689	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_689	OCCOCCCCCC	C112254
PUBCHEM_689	OCCCCCCCCCCC	C112425
PUBCHEM_689	OCCCCCCCCCCCC	C112538
PUBCHEM_689	OCCCCCCCCCCCCCC	C112721
PUBCHEM_689	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_689	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_689	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_689	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_689	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_689	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_689	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_689	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_689	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_689	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_689	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_689	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_689	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_689	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_689	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_689	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_689	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_689	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_689	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_689	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_689	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_689	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_689	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_689	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_689	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_689	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_689	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_689	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_689	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_689	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_689	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_689	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_689	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_689	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_689	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_689	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_689	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_689	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_689	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_689	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_689	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_689	O=C(OCC)CCCCCC	C106309
PUBCHEM_689	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_689	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_689	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_689	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_689	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_689	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_689	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_689	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_689	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_689	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_689	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_689	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_689	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_689	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_689	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_689	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_689	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_689	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_689	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_689	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_689	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_689	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_689	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_689	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_689	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_689	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_689	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_689	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_689	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_689	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_689	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_689	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_689	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_689	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_689	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_689	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_689	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_689	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_689	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_689	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_689	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_689	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_689	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_689	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_689	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_689	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_689	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_689	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_689	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_689	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_689	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_689	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_689	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_689	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_689	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_689	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_689	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_689	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_689	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_689	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_689	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_689	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_689	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_689	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_689	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_689	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_689	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_689	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_689	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_689	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_689	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_689	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_689	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_689	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_689	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_689	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_689	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_689	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_689	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_689	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_689	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_689	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_689	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_689	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_689	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_689	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_689	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_689	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_689	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_689	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_689	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_689	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_689	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_689	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_689	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_689	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_689	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_689	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_689	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_689	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_689	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_689	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_689	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_689	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_689	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_689	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_689	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_689	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_689	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_689	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_689	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_689	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_689	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_689	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_689	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_689	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_689	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_689	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_689	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_689	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_689	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_689	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_689	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_689	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_689	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_689	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_689	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_689	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_689	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_689	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_689	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_689	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_689	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_689	O=C(OCC)c1ccccc1	C93890
PUBCHEM_689	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_689	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_689	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_689	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_689	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_689	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_689	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_689	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_689	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_689	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_689	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_689	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_689	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_689	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_689	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_689	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_689	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_689	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_689	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_689	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_689	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_689	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_689	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_689	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_689	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_689	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_689	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_689	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_689	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_689	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_689	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_689	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_689	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_689	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_689	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_689	Nc1ccc(OC)cc1	C104949
PUBCHEM_689	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_689	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_689	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_689	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_689	O=C(OCCCCCCOC(=O)C=C)C=C	C13048334
PUBCHEM_689	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_689	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_689	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_689	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_689	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_689	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_689	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_689	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_689	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_689	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_689	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_689	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_689	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_689	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_689	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_689	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_689	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_689	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_689	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_689	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_689	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_689	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_689	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_689	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_689	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_689	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_689	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_689	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_689	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_689	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_689	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_689	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_689	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_689	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_689	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_689	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_689	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_689	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_689	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_689	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_689	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_689	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_689	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_689	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_689	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_689	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_689	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_689	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_689	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_689	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_689	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_689	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_689	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_689	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_689	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_689	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_689	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_689	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_689	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_689	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_689	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_689	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_689	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_689	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_689	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_689	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_689	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_689	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_689	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_689	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_689	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_689	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_689	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_689	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_689	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_689	CC1(C)COP(Oc2ccccc2)OC1	C3057087
PUBCHEM_689	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_689	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_689	NCCCOCCCCCCCC	C15930662
PUBCHEM_689	O=C(OCC(O)COc1ccccc1)C=C	C16969101
PUBCHEM_689	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_689	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_689	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_689	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_689	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_689	CC1COc2ccccc2N1	C32329207
PUBCHEM_689	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_689	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_689	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_689	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_689	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_689	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_689	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_689	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_689	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_689	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_689	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_689	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_689	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_689	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_689	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_689	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_689	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_689	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_689	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_689	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_689	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_689	CCCCCc1ccco1	C3777693
PUBCHEM_690	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_690	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_690	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_690	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_690	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_690	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_690	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_690	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_690	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_690	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_690	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_690	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_690	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_690	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_690	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_690	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_690	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_690	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_690	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_690	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_690	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_690	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_690	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_690	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_690	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_690	C1([C@@H]([C@H]([C@@H](CO1)O)O)O)O	C58866
PUBCHEM_690	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_690	c1c(CO)occ1	C98000
PUBCHEM_690	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_690	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_690	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_690	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_690	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_690	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_690	OCC1OCCC1	C97994
PUBCHEM_690	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_690	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_690	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_690	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_690	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_690	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_690	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_690	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_690	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_690	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_690	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_690	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_690	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_690	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_690	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_690	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_690	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_690	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_690	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_690	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_690	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_690	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_690	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_690	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_690	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_690	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_690	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_690	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_690	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_690	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_690	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_690	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_690	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_690	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_690	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_690	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_690	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_690	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_690	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_690	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_690	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_690	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_690	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_690	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_690	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_690	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_690	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_690	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_690	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_690	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_690	Oc1cc(ccc1)O	C108463
PUBCHEM_690	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_690	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_690	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_690	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_690	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_690	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_690	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_690	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_690	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_690	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_690	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_690	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_690	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_690	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_690	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_690	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_690	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_690	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_690	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_690	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_690	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_690	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_690	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_690	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_690	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_690	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_690	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_690	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_690	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_690	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_690	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_690	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_690	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_690	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_690	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_690	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_690	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_690	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_690	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_690	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_690	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_690	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_690	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_690	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_690	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_690	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_690	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_690	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_690	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_690	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_690	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_690	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_690	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_690	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_690	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_690	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_690	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_690	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_690	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_690	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_690	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_690	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_690	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_690	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_690	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_690	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_690	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_690	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_690	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_690	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_690	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_690	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_690	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_690	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_690	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_690	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_690	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_690	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_690	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_690	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_690	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_690	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_690	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_690	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_691	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_691	OC(=O)c1cccnc1	C59676
PUBCHEM_691	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_691	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_691	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_691	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_691	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_691	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_691	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_691	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_691	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_691	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_691	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_691	O=C(COc1c(Cl)cc(Cl)c(Cl)n1)OCCOCCCC	C64700567
PUBCHEM_691	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_691	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_691	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_691	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_691	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_691	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_691	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_691	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_691	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_691	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_691	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_691	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_691	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_691	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_691	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_691	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_691	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_691	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_691	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_691	S=P(OC)(OC)Oc1nc(Cl)c(Cl)cc1Cl	C5598130
PUBCHEM_691	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_691	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_691	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_691	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_691	O=C(O)COc1c(Cl)cc(Cl)c(Cl)n1	C55335063
PUBCHEM_691	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_691	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_691	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_691	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_691	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_691	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_691	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_691	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	C69377817
PUBCHEM_691	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_691	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_691	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_691	O=P(OCC)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	C5598152
PUBCHEM_691	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_691	S=P(Oc1nc(c(cc1Cl)Cl)Cl)(OCC)OCC	C2921882
PUBCHEM_691	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_691	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_691	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_691	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_691	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_691	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_691	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_691	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_691	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_691	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_691	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_691	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_691	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_691	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_691	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_691	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_691	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_691	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_691	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_691	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_691	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_691	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_691	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_691	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_691	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_691	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_691	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_691	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_691	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_691	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_691	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_691	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_691	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_691	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_691	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_691	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_691	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_691	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_691	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_691	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_691	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_691	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_691	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_691	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_691	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_691	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_691	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_691	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_691	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_691	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_691	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_691	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_691	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_691	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_691	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_691	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_691	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_691	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_691	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_691	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_691	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_691	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_691	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_691	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_691	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_691	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_691	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_691	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_691	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_691	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_691	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_691	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_691	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_691	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_691	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_691	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_691	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_691	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_691	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_691	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_691	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_691	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_692	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_692	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_692	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_692	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_692	O=C1CCCCC1	C108941
PUBCHEM_692	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_692	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_692	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_692	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_692	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_692	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_692	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_692	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_692	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_692	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_692	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_692	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_692	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_692	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_692	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_692	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_692	O=CCc1ccccc1	C122781
PUBCHEM_692	CCCCCCCCCC=O	C112312
PUBCHEM_692	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_692	O=CCCCCCC	C111717
PUBCHEM_692	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_692	CCCCCCCCC=O	C124196
PUBCHEM_692	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_692	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_692	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_692	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_692	O=Cc1ccccc1O	C90028
PUBCHEM_692	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_692	CCCCCC(=O)C	C110430
PUBCHEM_692	CCCCCCCCCC(=O)C	C112129
PUBCHEM_692	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_692	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_692	CCCCCC(=O)OCC	C123660
PUBCHEM_692	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_692	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_692	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_692	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_692	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_692	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_692	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_692	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_692	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_692	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_692	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_692	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_692	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_692	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_692	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_692	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_692	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_692	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_692	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_692	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_692	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_692	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_692	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_692	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_692	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_692	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_692	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_692	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_692	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_692	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_692	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_692	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_692	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_692	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_692	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_692	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_692	C(CC)(C=O)CCCC	C123057
PUBCHEM_692	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_692	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_692	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_692	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_692	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_692	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_692	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_692	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_692	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_692	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_692	O=C(O)c1ccccc1O	C69727
PUBCHEM_692	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_692	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_692	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_692	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_692	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_692	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_692	O=C(OCCCCCC)CCCCC(=O)OCCCCCC	C110338
PUBCHEM_692	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_692	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_692	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_692	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_692	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_692	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_692	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_692	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_692	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_692	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_692	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_692	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_692	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_692	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_692	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_692	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_692	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_692	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_692	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_692	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_692	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_692	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_692	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_692	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_692	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_692	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_692	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_692	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_692	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_692	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_692	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_692	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_692	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_692	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_692	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_692	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_692	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_692	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_692	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_692	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_692	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_692	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_692	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_692	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_692	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_692	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_692	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_692	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_692	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_692	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_692	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_692	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_692	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_692	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_692	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_692	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_692	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_692	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_692	O=C(c1ccccc1O)C	C118934
PUBCHEM_692	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_692	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_692	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_692	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_692	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_692	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_692	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_692	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_692	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_692	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_692	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_692	O=C1CCC(O1)CC	C695067
PUBCHEM_692	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_692	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_692	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_692	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_692	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_692	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_692	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_692	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_692	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_692	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_692	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_692	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_692	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_692	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_692	O=C(CC)CCCCC	C106683
PUBCHEM_692	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_692	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_692	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_692	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_692	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_692	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_692	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_692	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_692	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_692	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_692	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_692	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_692	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_692	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_692	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_692	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_692	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_692	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_692	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_692	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_692	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_692	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_692	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_692	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_692	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_692	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_692	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_692	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_692	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_692	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_692	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_692	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_692	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_692	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_692	O=C1OC(CCC)CC1	C105215
PUBCHEM_692	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_692	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_692	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_692	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_692	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_692	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_692	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_692	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_692	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_692	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_692	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_692	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_692	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_692	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_692	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_692	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_692	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_692	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_692	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_692	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_692	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_692	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_692	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_692	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_692	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_692	Clc1c(Cl)nc(C(=O)O)c(Cl)c1N	C1918021
PUBCHEM_692	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_692	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_692	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_692	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_692	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_692	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_692	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_692	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_692	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_692	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_692	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_692	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_692	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_692	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_692	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_692	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_692	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_692	O=C(O)c1c(Cl)ccc(Cl)n1	C1702176
PUBCHEM_692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_692	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_692	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_692	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_692	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_692	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_692	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_692	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_692	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_692	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_692	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_692	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_692	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_692	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_692	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_692	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_692	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_692	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_692	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_692	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_692	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_692	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_692	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_692	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_692	O=C(O)c1c(Cl)ccc(Cl)n1.OCCN	C57754855
PUBCHEM_692	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_692	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_692	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_692	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_692	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_692	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_692	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_692	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_692	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_692	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_692	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_692	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_692	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_692	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_692	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_692	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_692	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_692	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_692	c1coc2c1cccc2	C271896
PUBCHEM_692	OC(=O)c1ccccc1	C65850
PUBCHEM_692	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_692	O=C1CCCCCN1	C105602
PUBCHEM_692	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_692	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_692	O=C(c1ccccc1)CCl	C532274
PUBCHEM_692	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_692	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_692	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_692	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_692	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_692	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_692	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_692	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_692	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_692	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_692	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_692	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_692	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_692	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_692	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_692	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_692	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_692	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_692	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_692	O=c1cc([nH]c(=S)[nH]1)CCC	C51525
PUBCHEM_692	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_692	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_692	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_692	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_692	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_692	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_692	CCCCCCCCCC(=O)O	C334485
PUBCHEM_692	O=C(O)CCCCCC	C111148
PUBCHEM_692	OC(=O)CCCCC(=O)O	C124049
PUBCHEM_692	CCCCCC(=O)O	C142621
PUBCHEM_692	CCCCCCCCC(=O)O	C112050
PUBCHEM_692	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_692	CCCCCCCC=O	C124130
PUBCHEM_692	CCCCCCCC(=O)O	C124072
PUBCHEM_692	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_692	c1ccccc1C(=O)C	C98862
PUBCHEM_692	CCCCOC(=O)CCCCC(=O)OCCCC	C105997
PUBCHEM_692	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_692	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_692	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_692	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_692	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_692	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_692	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_692	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_692	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_692	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_692	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_692	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_692	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_692	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_692	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_692	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_692	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_692	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_692	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_692	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_692	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_692	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_692	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_692	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_692	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_692	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_692	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_692	C(CCCC(=O)OC)C(=O)OC	C627930
PUBCHEM_692	O=C(O)C(CCCC)CC	C149575
PUBCHEM_692	o1c(C)c(O)c(=O)cc1	C118718
PUBCHEM_692	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_692	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_692	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_692	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_692	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_692	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_692	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_692	O=C(OC)CCCCCCC	C111115
PUBCHEM_692	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_692	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_692	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_692	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_692	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_692	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_692	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_692	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_692	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_692	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_692	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_692	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_692	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O	C307244
PUBCHEM_692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_692	O=Cc1ccccc1C=O	C643798
PUBCHEM_692	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_692	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_692	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_692	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_692	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_692	O=C(OCC(C)C)CCCCC(=O)OCC(C)C	C141048
PUBCHEM_692	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_692	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_692	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_692	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_692	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_692	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_692	O=C(OCC)CCCCCC	C106309
PUBCHEM_692	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_692	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_692	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_692	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_692	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_692	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_692	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_692	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_692	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_692	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_692	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_692	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_692	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_692	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_692	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_692	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_692	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_692	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_692	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_692	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_692	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_692	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_692	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_692	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_692	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_692	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_692	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_692	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_692	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_692	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_692	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_692	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_692	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_692	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_692	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_692	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_692	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_692	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_692	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_692	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_692	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_692	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_692	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_692	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_692	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_692	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_692	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_692	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_692	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_692	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_692	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_692	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_692	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_692	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_692	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_692	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_692	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_692	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_692	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_692	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_692	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_692	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_692	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_692	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_692	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_692	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_692	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_692	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_692	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_692	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_692	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_692	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_692	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_692	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_692	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_692	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_692	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_692	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_692	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_692	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_692	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_692	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_692	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_692	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_692	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_692	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_692	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_692	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_692	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_692	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_692	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_692	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_692	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_692	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_692	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_692	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_692	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_692	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_692	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_692	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_692	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_692	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_692	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_692	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_692	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_692	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_692	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_692	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_692	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_692	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_692	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_692	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_692	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_692	O=C(OCC)c1ccccc1	C93890
PUBCHEM_692	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_692	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_692	CCCCCC=O	C66251
PUBCHEM_692	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_692	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_692	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_692	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_692	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_692	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_692	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_692	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_692	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_692	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_692	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_692	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_692	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_692	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_692	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_692	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_692	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_692	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_692	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_692	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_692	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_692	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_692	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_692	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_692	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_692	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_692	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_692	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_692	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_692	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_692	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_692	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_692	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_692	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_692	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_692	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_692	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_692	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_692	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_692	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_692	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_692	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_692	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_692	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_692	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_692	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_692	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_692	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_692	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_692	O=CCCCCCCCCC=C	C112458
PUBCHEM_692	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_692	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_692	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_692	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_692	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_692	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_692	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_692	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_692	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_692	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_692	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_692	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_692	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_692	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_692	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_692	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_692	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_692	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_692	O=C1N(SSN2C(=O)CCCCC2)CCCCC1	C23847087
PUBCHEM_692	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_692	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_692	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_692	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_692	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_692	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_692	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_692	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_692	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_692	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_692	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_692	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_692	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_692	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_692	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_692	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_692	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_692	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_692	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_692	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_692	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_692	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_692	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_692	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_692	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_692	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_692	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_692	CCCCCc1ccco1	C3777693
PUBCHEM_692	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_693	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_693	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_693	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_693	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_693	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_693	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_693	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_693	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_693	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_693	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_693	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_693	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_693	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_693	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_693	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_693	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_693	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_693	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_693	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_693	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_693	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_693	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_693	c1c(CO)occ1	C98000
PUBCHEM_693	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_693	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_693	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_693	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_693	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_693	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_693	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_693	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_693	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_693	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_693	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_693	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_693	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_693	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_693	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_693	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_693	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_693	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_693	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_693	O=C[C@@H](O)[C@H](O)[C@H](O)CO	C147819
PUBCHEM_693	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_693	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_693	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_693	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_693	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_693	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_693	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_693	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_693	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_693	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_693	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_693	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_693	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_693	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_693	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_693	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_693	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_693	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_693	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_693	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_693	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_693	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_693	O=Cc1ccco1	C98011
PUBCHEM_693	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_693	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_693	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_693	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_693	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_693	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_693	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_693	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_693	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_693	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_693	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_693	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_693	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_693	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_693	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_693	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_693	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_693	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_693	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_693	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_693	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_693	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_693	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_693	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_693	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_693	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_693	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_693	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_693	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_693	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_693	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_693	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_693	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_693	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_693	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_693	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_693	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_693	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_693	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_693	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_693	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_693	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_693	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_693	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_693	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_693	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_693	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_693	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_693	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_693	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_693	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_693	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_693	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_693	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_693	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_693	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_693	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_693	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_693	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_693	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_693	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_693	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_693	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_693	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_693	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_693	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_693	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_693	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_693	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_693	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_693	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_693	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_693	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_693	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_693	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_693	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_694	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_694	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_694	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_694	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_694	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_694	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_694	O=CCCCC=O	C111308
PUBCHEM_694	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_694	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_694	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_694	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_694	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_694	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_694	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_694	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_694	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_694	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_694	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_694	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_694	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_694	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_694	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_694	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_694	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_694	O=Cc1ccco1	C98011
PUBCHEM_694	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_694	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_694	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_694	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_694	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_694	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_694	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_694	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_694	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_694	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_694	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_694	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_694	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_694	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_694	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_694	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_694	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_694	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_694	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_694	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_694	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_694	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_694	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_694	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_694	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_694	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_694	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_694	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_694	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_694	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_694	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_694	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_695	NC(=O)c1cccnc1	C98920
PUBCHEM_695	OC(=O)c1cccnc1	C59676
PUBCHEM_695	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_695	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_695	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_695	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_695	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_695	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_695	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_695	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_695	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_695	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_695	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_695	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_695	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_695	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_695	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_695	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_695	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_695	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_695	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_695	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_695	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_695	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_695	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_695	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_695	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_695	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_695	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_695	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_695	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_695	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_695	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_695	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_695	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_695	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_695	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_695	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_695	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_695	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_695	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_695	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_695	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_695	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_695	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_695	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_695	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_695	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_695	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_695	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_695	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_695	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_695	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_695	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_695	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_695	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_695	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_695	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_695	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_695	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_695	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_695	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_695	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_695	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_695	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_695	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_695	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_695	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_695	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_695	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_695	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_695	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_695	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_695	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_695	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_695	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_695	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_695	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_695	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_695	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_695	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_695	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_695	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_695	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_695	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_695	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_695	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_696	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_696	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_696	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_696	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_696	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_696	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_696	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_696	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_696	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_696	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_696	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_696	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_696	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_696	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_696	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_696	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_696	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_696	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_696	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_696	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_696	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_696	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_696	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_696	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_696	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_696	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_696	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_696	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_696	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_696	c1cccc2[nH]ccc12	C120729
PUBCHEM_696	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_696	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_696	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_696	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_696	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_696	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_696	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_696	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_696	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_696	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_696	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_696	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_696	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_696	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_696	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_696	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_696	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_696	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_696	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_696	O=CCc1ccccc1	C122781
PUBCHEM_696	CCCCCCCCCC=O	C112312
PUBCHEM_696	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_696	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_696	CCCCCCCCC=O	C124196
PUBCHEM_696	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_696	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_696	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_696	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_696	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_696	Oc1cccc2ccccc12	C90153
PUBCHEM_696	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_696	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_696	CCCCCCCCCC(=O)C	C112129
PUBCHEM_696	Oc1ccc(CC)cc1	C123079
PUBCHEM_696	CCCCCCCCCCCCN	C124221
PUBCHEM_696	CCCCCCCCCO	C143088
PUBCHEM_696	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_696	Oc1ccc(CCC)cc1	C645567
PUBCHEM_696	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_696	CCCCCCCCCCN	C2016571
PUBCHEM_696	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_696	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_696	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_696	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_696	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_696	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_696	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_696	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_696	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_696	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_696	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_696	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_696	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_696	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_696	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_696	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_696	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_696	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_696	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_696	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_696	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_696	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_696	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_696	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_696	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_696	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_696	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_696	c1(c(CC)cccc1)O	C90006
PUBCHEM_696	c1c(O)cccc1CC	C620177
PUBCHEM_696	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_696	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_696	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_696	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_696	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_696	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_696	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_696	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_696	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_696	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_696	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_696	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_696	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_696	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_696	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_696	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_696	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_696	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_696	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_696	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_696	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_696	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_696	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_696	Cc1c(C)cccc1O	C526750
PUBCHEM_696	C=Cc1ccccc1C=C	C1321740
PUBCHEM_696	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_696	C(CCCCCC)CCCCCS	C112550
PUBCHEM_696	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_696	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_696	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_696	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_696	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_696	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_696	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_696	C(CCCCCCC)C	C111842
PUBCHEM_696	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_696	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_696	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_696	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_696	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_696	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_696	c12ccccc1CCCC2	C119642
PUBCHEM_696	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_696	OCCc1ccccc1	C60128
PUBCHEM_696	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_696	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_696	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_696	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_696	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_696	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_696	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_696	CCCCCCCCCCCCN(C)C	C112185
PUBCHEM_696	OC(CCCCCC)C	C123966
PUBCHEM_696	Oc1ccc2ccccc2c1	C135193
PUBCHEM_696	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_696	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_696	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_696	Nc1cccc(C)c1C	C1300738
PUBCHEM_696	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_696	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_696	BrC1C(Br)CCC(Br)C(Br)CCC(Br)C(Br)CC1	C3194556
PUBCHEM_696	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_696	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_696	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_696	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_696	Nc1c(C)cccc1CC	C24549062
PUBCHEM_696	SC(C)(C)CCCCCC	C25360105
PUBCHEM_696	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_696	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_696	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_696	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_696	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_696	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_696	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_696	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_696	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_696	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_696	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_696	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_696	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_696	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_696	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_696	CCO[Si](OCC)(OCC)CCCCCCCC	C2943751
PUBCHEM_696	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_696	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_696	OCC(CCC)CCCCC	C10042598
PUBCHEM_696	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_696	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_696	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_696	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_696	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_696	O=c1n(CCCCCCCC)sc(Cl)c1Cl	C64359815
PUBCHEM_696	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_696	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_696	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_696	OCCSCCCCCCCC	C3547339
PUBCHEM_696	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_696	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_696	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_696	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_696	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_696	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_696	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_696	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_696	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_696	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_696	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_696	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_696	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_696	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_696	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_696	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_696	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_696	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_696	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_696	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_696	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_696	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_696	CCCC[P+](CCCC)(CCCCCCCCCCCCCC)CCCC.[Cl-]	C81741288
PUBCHEM_696	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_696	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_696	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_696	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_696	CO[Si](OC)(OC)CCC[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C68959206
PUBCHEM_696	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_696	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_696	OCCN1C(=NCC1)CCCCCCC/C=C\CCCCCCCC	C95385
PUBCHEM_696	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_696	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_696	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_696	O=C1N(CCCCCCCC)CCC1	C2687947
PUBCHEM_696	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_696	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_696	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_696	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_696	C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	C57090
PUBCHEM_696	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_696	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_696	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_696	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_696	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_696	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_696	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_696	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_696	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_696	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_696	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_696	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_696	O=C(c1ccccc1O)C	C118934
PUBCHEM_696	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_696	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_696	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_696	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_696	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_696	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_696	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_696	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_696	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_696	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_696	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_696	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_696	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_696	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_696	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_696	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_696	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_696	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_696	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_696	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_696	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_696	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_696	C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]	C4574043
PUBCHEM_696	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_696	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_696	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_696	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_696	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_696	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_696	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_696	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_696	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_696	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_696	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_696	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_696	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_696	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_696	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_696	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_696	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_696	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_696	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_696	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_696	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_696	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_696	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_696	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_696	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_696	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_696	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_696	O=C(CC)CCCCC	C106683
PUBCHEM_696	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_696	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_696	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_696	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_696	c12ccccc1CC=C2	C95136
PUBCHEM_696	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_696	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_696	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_696	O=C1N(CCCCC1)CCCCCCCCCCCC	C59227893
PUBCHEM_696	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_696	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_696	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_696	CCCCCCCCCCCCN1CCOCC1	C1541817
PUBCHEM_696	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_696	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_696	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_696	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_696	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_696	COc1ccc(CCC)cc1	C104450
PUBCHEM_696	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_696	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_696	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_696	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_696	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_696	OC(CO)c1ccccc1	C93561
PUBCHEM_696	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_696	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_696	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_696	O=C(C)OCCCCCCCC	C112141
PUBCHEM_696	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_696	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_696	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_696	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_696	CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]	C5137553
PUBCHEM_696	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_696	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_696	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_696	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_696	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_696	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_696	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_696	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_696	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_696	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_696	OCCN(CCCCCCCCCCCCCC)CCO	C18924668
PUBCHEM_696	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_696	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_696	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_696	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_696	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_696	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_696	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_696	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_696	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_696	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_696	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_696	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_696	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_696	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_696	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_696	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_696	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_696	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_696	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_696	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_696	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_696	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_696	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_696	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_696	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_696	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_696	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_696	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_696	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_696	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_696	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_696	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_696	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_696	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_696	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_696	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_696	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_696	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_696	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_696	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_696	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_696	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_696	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_696	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_696	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_696	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_696	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_696	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_696	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_696	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_696	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_696	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_696	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_696	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_696	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_696	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_696	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_696	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_696	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_696	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_696	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_696	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_696	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_696	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_696	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_696	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_696	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_696	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_696	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_696	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_696	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_696	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_696	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_696	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_696	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_696	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_696	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_696	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_696	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_696	c12c3[n+](cccc3)CC[n+]1cccc2.[Br-].[Br-].O	C6385622
PUBCHEM_696	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O	C1763231
PUBCHEM_696	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_696	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_696	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_696	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_696	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_696	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_696	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_696	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_696	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_696	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_696	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_696	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_696	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_696	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_696	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_696	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_696	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_696	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_696	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_696	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_696	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_696	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_696	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_696	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_696	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_696	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_696	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_696	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_696	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_696	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_696	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_696	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_696	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_696	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_696	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_696	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_696	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_696	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_696	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_696	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_696	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_696	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_696	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_696	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_696	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_696	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_696	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_696	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_696	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_696	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_696	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_696	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_696	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_696	c1coc2c1cccc2	C271896
PUBCHEM_696	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_696	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_696	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_696	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_696	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_696	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_696	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_696	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_696	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_696	O=C(c1ccccc1)CCl	C532274
PUBCHEM_696	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_696	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_696	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_696	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_696	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_696	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_696	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_696	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_696	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_696	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_696	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_696	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_696	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_696	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_696	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_696	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_696	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_696	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_696	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_696	Oc1cccc2cccnc12	C148243
PUBCHEM_696	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_696	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_696	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_696	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_696	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_696	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_696	Cc1cc2cccnc2cc1	C91623
PUBCHEM_696	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_696	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_696	c1c2c(ccc1)cccc2	C91203
PUBCHEM_696	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_696	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_696	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_696	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_696	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_696	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_696	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_696	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_696	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_696	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_696	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_696	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_696	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_696	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_696	C1C(c2ccccc2)O1	C96093
PUBCHEM_696	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_696	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_696	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_696	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_696	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_696	CCCCCCCCCC(=O)O	C334485
PUBCHEM_696	CCCCCCCCC(=O)O	C112050
PUBCHEM_696	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_696	CCCCCCCC=O	C124130
PUBCHEM_696	CCCCCCCC(=O)O	C124072
PUBCHEM_696	CCCCCCCCCCC	C1120214
PUBCHEM_696	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_696	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_696	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_696	n1cccc2c1cccc2	C91225
PUBCHEM_696	c1ccccc1C(=O)C	C98862
PUBCHEM_696	CCCCCCCCO	C111875
PUBCHEM_696	CCCCCCCCCCO	C112301
PUBCHEM_696	CCCCCCCCCCCCCO	C112709
PUBCHEM_696	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_696	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_696	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_696	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_696	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_696	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_696	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_696	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_696	c1(CCCC)ccccc1	C104518
PUBCHEM_696	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_696	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_696	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_696	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_696	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_696	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_696	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_696	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_696	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_696	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_696	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_696	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_696	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_696	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_696	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_696	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_696	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_696	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_696	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_696	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_696	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_696	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_696	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_696	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_696	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_696	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_696	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_696	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_696	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_696	C(CCCCCCCC)C	C124185
PUBCHEM_696	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_696	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_696	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_696	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_696	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_696	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_696	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_696	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_696	O=c1ccsn1CCCCCCCC	C26530201
PUBCHEM_696	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_696	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_696	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_696	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_696	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_696	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_696	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_696	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_696	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_696	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_696	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_696	O=C(OC)CCCCCCC	C111115
PUBCHEM_696	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_696	C[N+](C)(C)CCCCCCCCCCCC.[Cl-]	C112005
PUBCHEM_696	OCCCCCCCCCCC	C112425
PUBCHEM_696	OCCCCCCCCCCCC	C112538
PUBCHEM_696	OCCCCCCCCCCCCCC	C112721
PUBCHEM_696	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_696	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_696	CCCCCCCCCCCCCCCC	C544763
PUBCHEM_696	Nc1c(CC)cccc1CC	C579668
PUBCHEM_696	CCCCCCCCCCCCCCC	C629629
PUBCHEM_696	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_696	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_696	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_696	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_696	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_696	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_696	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_696	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_696	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_696	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_696	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_696	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_696	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_696	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_696	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_696	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_696	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_696	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_696	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_696	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_696	O=Cc1ccccc1C=O	C643798
PUBCHEM_696	C[N+](CCCCCCCCCC)(C)CCCCCCCCCC.[Cl-]	C7173515
PUBCHEM_696	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_696	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCC	C4151502
PUBCHEM_696	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_696	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_696	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_696	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_696	CCCCCCCCN(C)C	C7378996
PUBCHEM_696	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_696	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_696	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[K+]	C2795393
PUBCHEM_696	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_696	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_696	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_696	FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C754916
PUBCHEM_696	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_696	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_696	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_696	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_696	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_696	CC1OC(C)CN(CCCCCCCCCCCCC)C1	C24602866
PUBCHEM_696	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_696	O=C1N(CCCCCCCCCCCC)CCC1	C2687969
PUBCHEM_696	CCCCCCCCN(CCCCCCCC)C	C4455269
PUBCHEM_696	CCCc1ccccc1	C103651
PUBCHEM_696	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_696	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_696	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_696	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_696	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_696	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_696	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_696	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_696	CC(C)(C)c1ccccc1	C98066
PUBCHEM_696	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_696	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_696	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_696	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_696	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_696	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_696	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_696	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_696	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_696	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_696	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_696	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_696	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_696	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_696	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_696	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_696	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_696	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_696	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_696	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_696	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_696	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_696	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_696	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_696	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_696	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_696	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_696	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_696	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_696	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_696	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_696	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_696	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_696	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_696	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_696	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_696	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_696	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_696	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_696	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_696	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_696	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_696	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_696	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_696	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_696	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_696	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_696	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_696	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_696	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_696	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_696	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_696	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_696	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_696	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_696	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_696	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_696	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_696	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_696	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_696	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_696	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_696	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_696	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_696	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_696	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_696	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_696	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_696	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_696	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_696	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_696	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_696	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_696	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_696	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_696	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_696	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_696	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_696	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_696	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_696	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_696	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_696	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_696	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_696	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_696	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_696	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_696	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_696	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_696	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_696	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
PUBCHEM_696	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_696	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_696	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_696	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_696	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_696	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_696	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_696	FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2043574
PUBCHEM_696	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_696	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_696	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_696	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_696	C=CCCCCCCCCCCCC	C1120361
PUBCHEM_696	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_696	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_696	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_696	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_696	[O-][N+](C)(C)CCCCCCCCCC	C2605790
PUBCHEM_696	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_696	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_696	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_696	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_696	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_696	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_696	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_696	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_696	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_696	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_696	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_696	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_696	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_696	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_696	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_696	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_696	[n+]12ccccc1c1[n+](cccc1)CC2.[Br-].[Br-]	C85007
PUBCHEM_696	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_696	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_696	C1([2H])([2H])[n+]2ccccc2c2[n+](cccc2)C1([2H])[2H].[Br-].[Br-]	CNOCAS44337
PUBCHEM_696	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_696	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_696	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_696	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_696	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_696	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_696	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_696	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_696	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_696	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_696	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_696	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_696	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_696	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_696	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_696	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_696	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_696	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_696	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_696	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_696	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_696	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_696	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_696	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_696	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_696	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_696	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_696	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_696	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_696	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_696	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_696	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_696	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_696	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_696	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_696	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_696	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_696	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_696	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_696	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_696	ClC(C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CC)C	C108171262
PUBCHEM_696	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_696	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_696	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_696	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_696	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_696	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_696	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_696	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_696	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_696	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_696	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_696	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_696	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_696	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_696	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_696	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_696	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_696	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_696	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_696	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_696	O=S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[O-].[Li+]	C29457725
PUBCHEM_696	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_696	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_696	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_696	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C140727
PUBCHEM_696	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_696	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_696	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_696	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_696	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_696	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_696	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_696	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_696	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_696	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_696	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_696	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_696	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_696	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_696	O=CCCCCCCCCC=C	C112458
PUBCHEM_696	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_696	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_696	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_696	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_696	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_696	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_696	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_696	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_696	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_696	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_696	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_696	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_696	c1(c2cccs2)ccc(c2cccs2)s1	C1081341
PUBCHEM_696	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_696	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_696	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_696	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_696	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_696	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]	C124038
PUBCHEM_696	CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]	C123035
PUBCHEM_696	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_696	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_696	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_696	N#CSCCCCCCCCCCCC	C765151
PUBCHEM_696	OCCN(CCCCCCCCCCCC)CCO	C1541679
PUBCHEM_696	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_696	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_696	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_696	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_696	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_696	CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]	C1155744
PUBCHEM_696	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_696	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_696	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_696	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_696	CCCCCCCCCCCCN.Cl	C929737
PUBCHEM_696	C[N+](C)(C)CCCCCCCCCCCC.[Br-]	C1119944
PUBCHEM_696	C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]	C1119977
PUBCHEM_696	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_696	BrCCCCCCCCCCCC	C143157
PUBCHEM_696	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_696	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_696	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_696	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_696	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_696	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_696	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_696	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_696	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_696	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_696	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_696	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_696	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_696	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_696	NCCCOCCCCCCCC	C15930662
PUBCHEM_696	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_696	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_696	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_696	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_696	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_696	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_696	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_696	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_696	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_696	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_696	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_696	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_696	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_696	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_696	O=C/C=C/CCCCCCC	C3913813
PUBCHEM_696	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_696	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_696	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_696	CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]	C3282733
PUBCHEM_696	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_696	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_696	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_696	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_696	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_696	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_696	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_696	O=C(O)CSCCCCCCCCCCC	C116296312
PUBCHEM_696	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_696	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_696	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_696	CCCCCc1ccco1	C3777693
PUBCHEM_696	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_697	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_697	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_697	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_697	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_697	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_697	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_697	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_697	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_697	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_697	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_697	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_697	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_697	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_697	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_697	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_697	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_697	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_697	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_697	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_697	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_697	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_697	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_697	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_697	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_697	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_697	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_697	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_697	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_697	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_697	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_697	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_697	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_697	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_697	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_697	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_697	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_697	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_697	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_697	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_697	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_697	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_697	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_697	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_697	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_697	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_697	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_697	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_697	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_697	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_697	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_697	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_697	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_697	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_697	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_697	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_697	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_697	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_697	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_697	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_697	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_697	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_697	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_697	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_697	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_697	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_697	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_697	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_697	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_697	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_697	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_697	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_697	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_697	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_697	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_697	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_697	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_697	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_697	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_697	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_697	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_697	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_697	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_697	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_697	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_697	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_697	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_697	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_697	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_697	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_697	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_697	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_697	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_697	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_697	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_697	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_697	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_697	Cc1cccc(C)c1	C108383
PUBCHEM_697	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_697	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_697	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_697	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_697	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_697	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_697	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_697	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_697	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_697	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_697	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_697	Nc1c(C)cccc1CC	C24549062
PUBCHEM_697	SC(C)(C)CCCCCC	C25360105
PUBCHEM_697	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_697	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_697	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_697	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_697	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_697	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_697	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_697	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_697	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_697	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_697	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_697	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_697	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_697	OCC(CCC)CCCCC	C10042598
PUBCHEM_697	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_697	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_697	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_697	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_697	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_697	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_697	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_697	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_697	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_697	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_697	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_697	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_697	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_697	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_697	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_697	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_697	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_697	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_697	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_697	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_697	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_697	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_697	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_697	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_697	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_697	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_697	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_697	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_697	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_697	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_697	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_697	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_697	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_697	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_697	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_697	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_697	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_697	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_697	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_697	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_697	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_697	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_697	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_697	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_697	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_697	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_697	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_697	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_697	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_697	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_697	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_697	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_697	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_697	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_697	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_697	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_697	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_697	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_697	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_697	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_697	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_697	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_697	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_697	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_697	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_697	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_697	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_697	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_697	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_697	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_697	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_697	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_697	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_697	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_697	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_697	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_697	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_697	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_697	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_697	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_697	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_697	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_697	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_697	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_697	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_697	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_697	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_697	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_697	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_697	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_697	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_697	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_697	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_697	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_697	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_697	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_697	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_697	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_697	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_697	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_697	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_697	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_697	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_697	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_697	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_697	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_697	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_697	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_697	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_697	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_697	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_697	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_697	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_697	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_697	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_697	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_697	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_697	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_697	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_697	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_697	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_697	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_697	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_697	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_697	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_697	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_697	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_697	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_697	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_697	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_697	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_697	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_697	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_697	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_697	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_697	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_697	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_697	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_697	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_697	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_697	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_697	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_697	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_697	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_697	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_697	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_697	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_697	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_697	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_697	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_697	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_697	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_697	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_697	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_697	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_697	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_697	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_697	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_697	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_697	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_697	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_697	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_697	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_697	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_697	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_697	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_697	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_697	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_697	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_697	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_697	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_697	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_697	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_697	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_697	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_697	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_697	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_697	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_697	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_697	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_697	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_697	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_697	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_697	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_697	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_697	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_697	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_697	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_697	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_697	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_697	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_697	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_697	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_697	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_697	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_697	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_697	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_697	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_697	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_697	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_697	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_697	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_697	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_697	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_697	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_697	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_697	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_697	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_697	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_697	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_697	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_697	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_697	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_697	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_697	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_697	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_697	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_697	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_697	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_697	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_697	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_697	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_697	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_697	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_697	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_697	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_697	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_697	Cc1cc2cccnc2cc1	C91623
PUBCHEM_697	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_697	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_697	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_697	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_697	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_697	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_697	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_697	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_697	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_697	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_697	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_697	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_697	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_697	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_697	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_697	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_697	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_697	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_697	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_697	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_697	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_697	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_697	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_697	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_697	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_697	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_697	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_697	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_697	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_697	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_697	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_697	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_697	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_697	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_697	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_697	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_697	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_697	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_697	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_697	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_697	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_697	Oc1c(cccc1C)C	C576261
PUBCHEM_697	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_697	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_697	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_697	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_697	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_697	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_697	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_697	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_697	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_697	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_697	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_697	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_697	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_697	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_697	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_697	Nc1c(cccc1C)C	C87627
PUBCHEM_697	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_697	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_697	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_697	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_697	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_697	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_697	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_697	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_697	Nc1c(CC)cccc1CC	C579668
PUBCHEM_697	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_697	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_697	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_697	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_697	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_697	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_697	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_697	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_697	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_697	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_697	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_697	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_697	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_697	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_697	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_697	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_697	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_697	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_697	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_697	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_697	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_697	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_697	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_697	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_697	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_697	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_697	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_697	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_697	CC(C)(C)c1ccccc1	C98066
PUBCHEM_697	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_697	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_697	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_697	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_697	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_697	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_697	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_697	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_697	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_697	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_697	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_697	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_697	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_697	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_697	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_697	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_697	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_697	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_697	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_697	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_697	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_697	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_697	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_697	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_697	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_697	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_697	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_697	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_697	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_697	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_697	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_697	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_697	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_697	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_697	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_697	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_697	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_697	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_697	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_697	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_697	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_697	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_697	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_697	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_697	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_697	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_697	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_697	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_697	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_697	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_697	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_697	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_697	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_697	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_697	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_697	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_697	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_697	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_697	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_697	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_697	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_697	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_697	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_697	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_697	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_697	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_697	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_697	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_697	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_697	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_697	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_697	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_697	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_697	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_697	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_697	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_697	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_697	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_697	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_697	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_697	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_697	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_697	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_697	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_697	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_697	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_697	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_697	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_697	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_697	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_697	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_697	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_697	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_697	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_697	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_697	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_697	NCc1cccc(CN)c1	C1477550
PUBCHEM_697	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_697	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_697	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_697	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_697	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_697	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_697	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_697	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_697	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_697	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_697	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_697	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_697	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_697	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_697	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_697	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_697	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_697	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_697	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_697	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_697	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_697	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_697	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_697	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_697	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_697	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_697	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_697	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_697	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_697	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_697	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_697	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_697	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_697	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_697	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_697	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_697	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_697	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_697	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_697	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_697	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_697	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_697	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_697	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_697	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_697	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_697	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_697	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_697	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_697	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_697	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_697	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_697	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_697	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_697	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_697	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_697	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_697	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_697	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_697	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_697	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_697	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_697	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_697	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_697	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_697	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_697	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_697	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_697	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_697	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_697	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_697	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_697	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_697	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_697	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_697	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_697	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_697	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_697	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_697	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_697	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_697	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_697	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_697	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_697	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_697	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_697	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_697	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_697	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_697	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_697	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_697	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_697	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_697	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_697	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_697	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_697	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_697	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_697	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_697	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_697	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_697	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_697	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_697	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_697	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_697	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_697	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_697	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_697	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_697	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_697	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_697	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_697	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_697	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_697	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_697	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_697	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_698	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_698	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_698	CC(=O)OCc1ccccc1	C140114
PUBCHEM_698	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_698	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_698	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_698	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_698	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_698	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_698	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_698	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_698	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_698	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_698	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_698	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_698	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_698	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_698	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_698	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_698	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_698	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_698	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_698	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_698	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_698	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_698	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_698	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_698	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_698	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_698	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_698	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_698	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_698	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_698	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_698	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_698	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_698	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_698	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_698	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_698	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_698	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_698	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_698	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_698	O=Cc1ccccc1O	C90028
PUBCHEM_698	Oc1cccc2ccccc12	C90153
PUBCHEM_698	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_698	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_698	CCCCCCCO	C111706
PUBCHEM_698	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_698	CCCCCCCCCO	C143088
PUBCHEM_698	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_698	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_698	Oc1ccc(CCC)cc1	C645567
PUBCHEM_698	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_698	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_698	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_698	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_698	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_698	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_698	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_698	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_698	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_698	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_698	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_698	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_698	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_698	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_698	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_698	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_698	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_698	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_698	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_698	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_698	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_698	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_698	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_698	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_698	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_698	c1(c(CC)cccc1)O	C90006
PUBCHEM_698	c1c(O)cccc1CC	C620177
PUBCHEM_698	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_698	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_698	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_698	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_698	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_698	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_698	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_698	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_698	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_698	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_698	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_698	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_698	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_698	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_698	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_698	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_698	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_698	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_698	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_698	Cc1c(C)cccc1O	C526750
PUBCHEM_698	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_698	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_698	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_698	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_698	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_698	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_698	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_698	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_698	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_698	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_698	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_698	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_698	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_698	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_698	OCCc1ccccc1	C60128
PUBCHEM_698	O=C(O)c1ccccc1O	C69727
PUBCHEM_698	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_698	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_698	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_698	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_698	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_698	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_698	OC(CCCCCC)C	C123966
PUBCHEM_698	Oc1ccc2ccccc2c1	C135193
PUBCHEM_698	OCCN(CCO)CCO.O=S(=O)(OCCCCCCCCCCCC)O	C139968
PUBCHEM_698	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_698	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_698	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_698	OC1CCCCCCCCCCC1	C1724396
PUBCHEM_698	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_698	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_698	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_698	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_698	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_698	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_698	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_698	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_698	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_698	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_698	C1(CO1)COCCCCCCCCCCCC	C68609972
PUBCHEM_698	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_698	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_698	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_698	O=S(=O)(OCCOCCCCCCCCCCCC)[O-].[Na+]	C9004824
PUBCHEM_698	OCC(CCC)CCCCC	C10042598
PUBCHEM_698	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_698	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_698	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_698	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_698	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_698	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_698	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_698	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_698	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_698	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_698	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_698	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_698	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_698	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_698	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_698	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_698	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_698	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_698	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_698	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_698	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_698	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_698	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_698	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_698	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_698	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_698	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_698	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_698	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_698	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_698	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_698	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_698	OCCCCCCC/C=C/C=C/C	C33956499
PUBCHEM_698	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_698	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_698	O=S(=O)([O-])OCCCCCCCC.[Na+]	C142314
PUBCHEM_698	O=S(=O)([O-])OCCCCCCCCCC.[Na+]	C142870
PUBCHEM_698	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_698	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_698	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_698	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_698	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_698	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_698	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_698	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_698	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_698	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_698	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_698	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_698	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_698	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_698	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_698	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_698	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_698	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_698	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_698	O=C(c1ccccc1O)C	C118934
PUBCHEM_698	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_698	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_698	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_698	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_698	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_698	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_698	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_698	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_698	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_698	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_698	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_698	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_698	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_698	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_698	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_698	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_698	Oc1ccccc1CN(C)C	C120650
PUBCHEM_698	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_698	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_698	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_698	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_698	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_698	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_698	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_698	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_698	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_698	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_698	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_698	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_698	N#Cc1c(O)cccc1	C611201
PUBCHEM_698	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_698	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_698	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_698	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_698	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_698	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_698	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_698	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_698	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_698	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_698	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_698	O=C(CCC)OCCCCCCC	C5870939
PUBCHEM_698	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_698	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_698	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_698	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_698	O=P(O)(O)OCCCCCCCCCCCCC	C5116949
PUBCHEM_698	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_698	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_698	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_698	COc1ccc(CCC)cc1	C104450
PUBCHEM_698	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_698	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_698	O=S(=O)(OCCCCCCCCCCCCC)[O-].[Na+]	C3026639
PUBCHEM_698	OC(CO)c1ccccc1	C93561
PUBCHEM_698	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_698	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_698	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_698	O=C(C)OCCCCCCCC	C112141
PUBCHEM_698	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_698	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_698	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_698	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_698	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_698	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_698	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_698	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_698	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_698	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_698	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_698	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_698	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_698	O=S(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120043
PUBCHEM_698	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_698	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_698	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_698	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_698	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_698	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_698	O=S(=O)([O-])OCCCCCCCCC.[Na+]	C1072157
PUBCHEM_698	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_698	O=C(CCCCC(=O)OCCCCCCC)OCCCCCCCCC	C68515753
PUBCHEM_698	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_698	O=C1OC(CCC)CC1	C105215
PUBCHEM_698	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_698	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_698	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_698	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_698	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_698	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_698	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_698	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_698	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_698	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_698	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_698	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_698	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_698	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_698	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_698	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_698	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_698	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_698	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_698	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_698	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_698	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_698	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_698	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_698	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_698	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_698	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_698	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_698	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_698	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_698	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_698	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_698	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_698	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_698	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_698	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_698	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_698	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_698	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_698	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_698	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_698	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_698	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_698	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_698	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_698	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_698	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_698	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_698	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_698	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_698	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_698	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_698	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_698	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_698	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_698	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_698	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_698	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_698	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_698	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_698	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_698	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_698	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_698	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_698	O=C(OC(C)CC)N1C(CCO)CCCC1	C119515387
PUBCHEM_698	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_698	Fc1c(Cl)c(N)c(Cl)c(OCC(=O)OC(C)CCCCCC)n1	C81406373
PUBCHEM_698	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_698	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_698	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_698	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_698	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_698	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_698	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_698	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_698	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_698	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_698	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_698	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_698	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_698	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_698	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_698	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_698	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_698	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_698	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_698	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_698	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_698	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_698	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_698	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_698	c1coc2c1cccc2	C271896
PUBCHEM_698	OC(=O)c1ccccc1	C65850
PUBCHEM_698	OCc1ccccc1	C100516
PUBCHEM_698	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_698	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_698	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_698	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_698	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_698	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_698	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_698	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_698	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_698	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_698	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_698	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_698	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_698	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_698	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_698	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_698	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_698	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_698	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_698	Oc1cccc2cccnc12	C148243
PUBCHEM_698	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_698	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_698	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_698	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_698	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_698	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_698	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_698	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_698	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_698	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_698	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_698	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_698	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_698	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_698	C1C(c2ccccc2)O1	C96093
PUBCHEM_698	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_698	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_698	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_698	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_698	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_698	CCCCCCCCCC(=O)O	C334485
PUBCHEM_698	O=C(O)CCCCCC	C111148
PUBCHEM_698	CCCCCCCCC(=O)O	C112050
PUBCHEM_698	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_698	CCCCCCCC(=O)O	C124072
PUBCHEM_698	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_698	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_698	Oc1c(C)cccc1	C95487
PUBCHEM_698	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_698	CCCCCCCCO	C111875
PUBCHEM_698	CCCCCCCCCCO	C112301
PUBCHEM_698	CCCCCCCCCCCCCO	C112709
PUBCHEM_698	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_698	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_698	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_698	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_698	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_698	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_698	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_698	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_698	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_698	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_698	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_698	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_698	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_698	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_698	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_698	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_698	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_698	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_698	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_698	Oc1c(cccc1C)C	C576261
PUBCHEM_698	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_698	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_698	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_698	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_698	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_698	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_698	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_698	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_698	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_698	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_698	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_698	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_698	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_698	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_698	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_698	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_698	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_698	[Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC	C151213
PUBCHEM_698	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_698	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_698	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_698	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_698	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_698	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_698	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_698	O=C(OC)CCCCCCC	C111115
PUBCHEM_698	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_698	OCCCCCCCCCCC	C112425
PUBCHEM_698	OCCCCCCCCCCCC	C112538
PUBCHEM_698	OCCCCCCCCCCCCCC	C112721
PUBCHEM_698	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_698	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_698	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_698	OCCCCCCCCCCCCCCC	C629765
PUBCHEM_698	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_698	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_698	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_698	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_698	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_698	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_698	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_698	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_698	OCCCCCCCCCCCCCCCC	C36653824
PUBCHEM_698	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_698	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_698	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_698	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_698	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_698	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C678397
PUBCHEM_698	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_698	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_698	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_698	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_698	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_698	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_698	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_698	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_698	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_698	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_698	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_698	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_698	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_698	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_698	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_698	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_698	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_698	O=C(OCC)CCCCCC	C106309
PUBCHEM_698	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_698	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_698	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_698	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_698	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_698	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_698	O=S(=O)(OCCCCCCCCCCCCCCCC)[O-].[Na+]	C1120010
PUBCHEM_698	O=S(=O)(OCCCCCCCCCCCCCC)[O-].[Na+]	C1191500
PUBCHEM_698	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_698	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_698	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_698	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C647427
PUBCHEM_698	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_698	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_698	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_698	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_698	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_698	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_698	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_698	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_698	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_698	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_698	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_698	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_698	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_698	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_698	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_698	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_698	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_698	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_698	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_698	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_698	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_698	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_698	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_698	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_698	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_698	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_698	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_698	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_698	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_698	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_698	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_698	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_698	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_698	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_698	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_698	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_698	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_698	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_698	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_698	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_698	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_698	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_698	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_698	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_698	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_698	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_698	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_698	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_698	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_698	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_698	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_698	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_698	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_698	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_698	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_698	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_698	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_698	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_698	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_698	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_698	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_698	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_698	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_698	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_698	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_698	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_698	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_698	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_698	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_698	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_698	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_698	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_698	O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C	C2144538
PUBCHEM_698	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_698	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_698	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_698	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_698	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_698	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_698	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_698	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_698	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_698	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_698	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_698	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_698	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_698	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_698	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_698	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_698	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_698	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_698	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_698	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_698	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_698	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_698	O=C(OCC)c1ccccc1	C93890
PUBCHEM_698	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_698	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_698	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_698	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_698	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_698	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_698	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_698	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_698	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_698	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_698	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_698	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_698	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_698	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_698	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_698	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_698	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_698	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_698	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_698	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_698	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_698	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_698	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_698	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_698	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_698	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_698	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_698	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_698	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_698	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_698	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_698	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_698	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_698	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_698	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_698	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_698	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_698	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_698	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_698	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_698	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_698	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_698	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_698	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_698	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_698	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_698	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_698	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_698	O=C(C)OCCCCCCCCCC/C=C\CC	C20711108
PUBCHEM_698	O=C(C)OCCCCCCCC/C=C\C/C=C/C	C31654770
PUBCHEM_698	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_698	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_698	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_698	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_698	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_698	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_698	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_698	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_698	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_698	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_698	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_698	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_698	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_698	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_698	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_698	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_698	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_698	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_698	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_698	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_698	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_698	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_698	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_698	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_698	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_698	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_698	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_698	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_698	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_698	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_698	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_698	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_698	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_698	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_698	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_698	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_698	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_698	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_698	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_698	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_698	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_698	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_698	NCCCOCCCCCCCC	C15930662
PUBCHEM_698	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_698	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_698	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_698	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_698	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_698	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_698	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_698	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_698	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_698	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_698	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_698	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_698	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_698	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_698	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_698	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_698	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_698	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_698	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_698	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_698	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_698	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_698	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_698	CCCCCc1ccco1	C3777693
PUBCHEM_699	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_699	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_699	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_699	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_699	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_699	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_699	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_699	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_699	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_699	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_699	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_699	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_699	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_699	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_699	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_699	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_699	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_699	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_699	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_699	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_699	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_699	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_699	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_699	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_699	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_699	Oc1cccc2ccccc12	C90153
PUBCHEM_699	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_699	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_699	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_699	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_699	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_699	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_699	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_699	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_699	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_699	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_699	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_699	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_699	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_699	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_699	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_699	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_699	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_699	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_699	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_699	c1c(O)cccc1CC	C620177
PUBCHEM_699	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_699	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_699	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_699	Cc1cc(O)ccc1	C108394
PUBCHEM_699	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_699	Cc1c(C)cccc1O	C526750
PUBCHEM_699	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_699	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_699	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_699	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_699	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_699	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_699	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_699	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_699	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_699	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_699	Oc1ccc2ccccc2c1	C135193
PUBCHEM_699	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_699	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_699	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_699	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_699	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_699	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_699	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_699	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_699	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_699	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_699	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_699	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_699	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_699	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_699	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_699	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_699	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_699	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_699	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_699	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_699	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_699	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_699	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_699	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_699	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_699	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_699	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_699	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_699	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_699	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_699	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_699	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_699	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_699	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_699	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_699	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_699	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_699	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_699	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_699	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_699	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_699	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_699	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_699	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_699	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_699	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_699	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_699	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_699	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_699	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_699	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_699	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_699	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_699	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_699	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_699	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_699	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_699	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_699	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_699	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_699	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_699	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_699	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_699	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_699	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_699	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_699	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_699	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_699	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_699	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_699	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_699	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_699	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_699	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_699	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_699	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_699	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_699	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_699	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_699	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_699	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_699	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_699	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_699	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_699	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_699	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_699	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_699	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_699	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_699	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_699	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_699	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_699	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_699	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_699	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_699	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_699	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_699	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_699	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_699	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_699	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_699	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_699	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_699	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_699	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_699	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_699	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_699	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_699	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_699	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_699	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_699	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_699	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_699	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_699	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_699	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_699	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_699	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_699	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_699	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_699	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_699	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_699	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_699	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_699	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_699	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_699	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_699	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_699	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_699	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_699	Oc1cccc2cccnc12	C148243
PUBCHEM_699	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_699	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_699	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_699	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_699	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_699	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_699	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_699	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_699	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_699	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_699	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_699	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_699	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_699	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_699	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_699	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_699	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_699	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_699	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_699	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_699	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_699	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_699	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_699	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_699	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_699	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_699	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_699	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_699	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_699	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_699	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_699	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_699	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_699	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_699	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_699	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_699	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_699	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_699	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_699	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_699	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_699	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_699	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_699	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_699	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_699	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_699	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_699	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_699	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_699	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_699	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_699	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_699	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_699	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_699	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_699	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_699	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_699	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_699	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_699	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_699	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_699	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_699	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_699	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_699	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_699	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_699	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_699	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_699	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_699	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_699	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_699	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_699	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_699	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_699	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_699	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_699	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_699	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_699	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_699	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_699	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_699	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_699	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_699	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_699	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_699	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_699	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_699	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_699	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_699	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_699	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_699	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_699	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_699	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_699	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_699	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_699	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_699	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_699	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_699	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_699	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_699	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_699	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_699	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_699	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_699	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_699	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_699	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_699	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_699	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_699	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_699	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_699	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_699	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_699	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_699	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_699	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_699	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_699	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_699	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_699	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_699	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_699	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_699	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_699	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_699	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_699	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_699	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_699	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_699	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_699	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_699	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_699	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_699	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_699	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_699	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_699	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_699	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_699	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_699	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_699	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_699	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_699	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_699	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_699	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_699	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_699	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_699	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_699	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_699	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_699	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_699	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_699	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_699	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_699	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_699	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_699	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_699	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_699	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_699	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_699	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_699	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_699	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_699	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_699	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_700	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_700	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_700	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_700	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_700	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_700	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_700	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_700	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_700	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_700	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_700	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_700	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_700	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_700	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_700	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_700	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_700	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_700	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_700	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_700	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_700	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_700	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_700	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_700	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_700	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_700	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_700	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_700	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_700	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_700	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_700	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_700	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_700	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_700	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_700	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_700	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_700	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_700	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_700	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_700	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_700	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_700	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_700	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_700	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_700	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_700	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_700	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_700	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_700	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_700	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_700	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_700	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_700	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_700	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_700	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_700	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_700	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_700	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_700	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_700	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_700	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_700	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_700	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_700	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_700	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_700	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_700	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_700	COC(=O)CCCC(=O)OC	C1119400
PUBCHEM_700	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_700	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_700	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_700	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_700	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_700	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_700	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_700	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_700	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_700	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_700	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_700	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_700	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_700	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_700	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_700	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_700	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_700	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_700	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_700	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_700	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_700	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_700	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_700	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_700	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_700	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_700	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_700	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_700	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_700	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_700	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_700	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_700	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_700	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_700	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_700	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_700	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_700	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_700	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_700	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_700	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_700	O=C(OC)CCCC(=O)O	C1501275
PUBCHEM_700	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_700	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_700	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_700	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_700	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_700	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_701	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_701	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_701	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_701	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_701	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_701	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_701	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_701	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_701	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_701	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_701	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_701	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_701	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_701	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_701	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_701	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_701	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_701	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_701	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_701	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_701	[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O	C63423
PUBCHEM_701	[C@H]([C@@H]([C@@H](O)CO)O)([C@H](O)CO)O	C50704
PUBCHEM_701	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_701	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_701	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_701	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_701	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_701	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_701	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_701	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_701	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_701	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_701	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCCCC)O)O	C58846778
PUBCHEM_701	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_701	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_701	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_701	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_701	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_701	OC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	C6706598
PUBCHEM_701	O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OCCCCCCCC)O)O	C29836268
PUBCHEM_701	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_701	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_701	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@H]8[C@@H]([C@H]([C@@H](O2)O[C@@H]8CO)O)O)[C@@H]([C@H]7O)O)CO)[C@@H]([C@H]6O)O)CO)O[C@@H]5CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)O1	C17465860
PUBCHEM_701	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_701	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_701	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_701	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_701	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_701	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_701	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_701	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_701	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_701	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_701	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_701	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_701	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_701	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_701	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_701	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_701	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_701	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_701	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_701	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_701	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_701	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_701	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_701	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_701	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_701	Oc1cc(ccc1)O	C108463
PUBCHEM_701	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_701	O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	C57501
PUBCHEM_701	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_701	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_701	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_701	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_701	O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO	C69658
PUBCHEM_701	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_701	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_701	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_701	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_701	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_701	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_701	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_701	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_701	OC[C@@H]1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@H](O[C@@H]([C@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CO)O)O)[C@@H]([C@H]4O)O)CO)CO)[C@H](O)[C@H]3O)CO)O1	C10016203
PUBCHEM_701	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_701	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_701	O=C(C)OC[C@@]1([C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	C126147
PUBCHEM_701	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_701	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_701	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_701	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_701	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_701	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_701	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_701	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_701	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_701	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_701	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_701	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_701	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_701	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_701	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_701	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_701	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_701	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_701	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_701	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_701	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_701	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_701	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_701	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_701	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_701	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_701	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_701	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_701	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_701	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_701	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_701	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_701	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_701	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_701	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_701	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_701	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_701	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_701	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_701	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_701	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_701	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_702	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_702	OC(=O)c1cccnc1	C59676
PUBCHEM_702	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_702	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_702	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_702	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_702	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_702	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_702	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_702	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_702	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_702	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_702	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_702	c12ncnc1c(NCc1ccco1)[nH]cn2	C525791
PUBCHEM_702	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_702	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_702	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_702	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_702	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_702	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_702	[O-][N+](=O)/C=C(/NCCSCc1oc(cc1)CN(C)C)\NC	C66357355
PUBCHEM_702	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_702	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_702	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_702	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_702	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_702	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_702	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_702	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_702	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_702	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_702	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_702	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_702	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_702	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_702	O=c1[nH]c(=O)c(cn1[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])C1)C	C30516871
PUBCHEM_702	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_702	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_702	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_702	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_702	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_702	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	C4291638
PUBCHEM_702	O=c1c2c(nc[nH]1)n([C@@H]1O[C@H](CO)CC1)cn2	C69655056
PUBCHEM_702	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_702	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_702	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_702	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO.Cl	C69749
PUBCHEM_702	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_702	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_702	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_702	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_702	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_702	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_702	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_702	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_702	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_702	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_702	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_702	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_702	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_702	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_702	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_702	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_702	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_702	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_702	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_702	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_702	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_702	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_702	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_702	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_702	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_702	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_702	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_702	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_702	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_702	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_702	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_702	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_702	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_702	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_702	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_702	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_702	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_702	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_702	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_702	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_702	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_702	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_702	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_702	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_702	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_702	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_702	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_702	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_702	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_703	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_703	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_703	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_703	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_703	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_703	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_703	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_703	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_703	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_703	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_703	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_703	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_703	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_703	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_703	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_703	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_703	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_703	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_703	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_703	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_703	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_703	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_703	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_703	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_703	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_703	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_703	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_703	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_703	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_703	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_703	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_703	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_703	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_703	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_703	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_703	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_703	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_703	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_703	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_703	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_703	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_703	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_703	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_703	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_703	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_703	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_703	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_703	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_703	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_703	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_703	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_703	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_703	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_703	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_703	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_703	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_703	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_703	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_703	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_703	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_703	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_703	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_703	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_703	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_703	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_703	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_703	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_703	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_703	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_703	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_703	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_703	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_704	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_704	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_704	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_704	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_704	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_704	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_704	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_704	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_704	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_704	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_704	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_704	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_704	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_704	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_704	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_704	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_704	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_704	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_704	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_704	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_704	O=CCc1ccccc1	C122781
PUBCHEM_704	CCCCCCCCCC=O	C112312
PUBCHEM_704	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_704	O=CCCCCCC	C111717
PUBCHEM_704	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_704	CCCCCCCCC=O	C124196
PUBCHEM_704	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_704	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_704	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_704	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_704	O=Cc1ccccc1O	C90028
PUBCHEM_704	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_704	CCCCCCCCCC(=O)C	C112129
PUBCHEM_704	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_704	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_704	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_704	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_704	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_704	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_704	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_704	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_704	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_704	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_704	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_704	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_704	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_704	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_704	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_704	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_704	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_704	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_704	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_704	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_704	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_704	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_704	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_704	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_704	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_704	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_704	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_704	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_704	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_704	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_704	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_704	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_704	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_704	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_704	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_704	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_704	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_704	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_704	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_704	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_704	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_704	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_704	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_704	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_704	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_704	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_704	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_704	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_704	O=C(O)c1ccccc1O	C69727
PUBCHEM_704	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_704	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_704	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_704	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_704	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_704	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_704	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_704	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_704	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_704	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_704	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_704	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_704	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_704	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_704	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_704	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_704	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_704	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_704	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_704	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_704	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_704	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_704	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_704	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_704	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_704	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_704	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_704	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_704	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_704	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_704	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_704	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_704	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_704	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_704	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_704	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_704	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_704	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_704	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_704	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_704	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_704	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_704	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_704	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_704	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_704	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_704	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_704	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_704	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_704	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_704	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_704	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_704	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_704	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_704	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_704	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_704	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_704	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_704	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_704	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_704	O=C(c1ccccc1O)C	C118934
PUBCHEM_704	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_704	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_704	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_704	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_704	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_704	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_704	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_704	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_704	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_704	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_704	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_704	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_704	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_704	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_704	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_704	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_704	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_704	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_704	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_704	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_704	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_704	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_704	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_704	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_704	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_704	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_704	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_704	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_704	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_704	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_704	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_704	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_704	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_704	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_704	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_704	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_704	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_704	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_704	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_704	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_704	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_704	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_704	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_704	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_704	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_704	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_704	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_704	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_704	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_704	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_704	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_704	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_704	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_704	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_704	O=C1OC(CCC)CC1	C105215
PUBCHEM_704	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_704	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_704	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_704	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_704	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_704	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_704	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_704	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_704	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_704	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_704	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_704	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_704	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_704	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_704	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_704	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_704	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_704	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_704	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_704	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_704	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_704	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_704	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_704	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_704	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_704	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_704	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_704	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_704	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_704	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_704	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_704	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_704	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_704	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_704	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_704	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_704	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_704	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_704	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_704	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_704	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_704	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_704	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_704	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_704	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_704	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_704	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_704	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_704	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_704	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_704	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_704	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_704	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_704	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_704	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_704	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_704	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_704	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_704	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_704	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_704	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_704	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_704	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_704	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_704	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_704	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_704	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_704	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_704	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_704	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_704	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_704	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_704	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_704	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_704	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_704	c1coc2c1cccc2	C271896
PUBCHEM_704	OC(=O)c1ccccc1	C65850
PUBCHEM_704	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_704	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_704	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_704	O=C(c1ccccc1)CCl	C532274
PUBCHEM_704	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_704	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_704	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_704	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_704	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_704	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_704	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_704	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_704	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_704	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_704	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_704	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_704	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_704	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_704	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_704	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_704	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_704	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_704	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_704	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_704	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_704	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_704	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_704	CCCCCCCCCC(=O)O	C334485
PUBCHEM_704	O=C(O)CCCCCC	C111148
PUBCHEM_704	CCCCCCCCC(=O)O	C112050
PUBCHEM_704	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_704	CCCCCCCC=O	C124130
PUBCHEM_704	CCCCCCCC(=O)O	C124072
PUBCHEM_704	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_704	c1ccccc1C(=O)C	C98862
PUBCHEM_704	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_704	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_704	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_704	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_704	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_704	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_704	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_704	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_704	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_704	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_704	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_704	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_704	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_704	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_704	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_704	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_704	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_704	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_704	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_704	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_704	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_704	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_704	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_704	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_704	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_704	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_704	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_704	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_704	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_704	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_704	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_704	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_704	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_704	O=C(OC)CCCCCCC	C111115
PUBCHEM_704	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_704	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_704	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_704	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_704	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_704	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_704	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_704	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_704	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_704	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_704	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_704	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_704	O=Cc1ccccc1C=O	C643798
PUBCHEM_704	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_704	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_704	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_704	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_704	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_704	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_704	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_704	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_704	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_704	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_704	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_704	O=C(OCC)CCCCCC	C106309
PUBCHEM_704	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_704	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_704	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_704	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_704	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_704	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_704	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_704	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_704	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_704	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_704	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_704	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_704	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_704	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_704	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_704	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_704	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_704	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_704	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_704	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_704	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_704	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_704	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_704	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_704	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_704	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_704	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_704	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_704	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_704	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_704	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_704	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_704	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_704	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_704	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_704	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_704	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_704	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_704	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_704	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_704	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_704	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_704	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_704	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_704	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_704	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_704	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_704	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_704	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_704	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_704	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_704	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_704	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_704	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_704	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_704	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_704	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_704	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_704	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_704	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_704	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_704	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_704	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_704	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_704	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_704	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_704	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_704	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_704	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_704	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_704	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_704	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_704	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_704	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_704	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_704	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_704	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_704	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_704	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_704	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_704	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_704	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_704	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_704	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_704	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_704	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_704	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_704	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_704	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_704	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_704	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_704	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_704	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_704	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_704	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_704	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_704	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_704	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_704	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_704	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_704	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_704	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_704	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_704	O=C(OCC)c1ccccc1	C93890
PUBCHEM_704	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_704	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_704	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_704	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_704	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_704	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_704	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_704	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_704	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_704	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_704	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_704	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_704	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_704	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_704	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_704	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_704	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_704	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_704	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_704	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_704	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_704	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_704	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_704	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_704	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_704	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_704	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_704	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_704	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_704	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_704	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_704	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_704	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_704	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_704	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_704	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_704	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_704	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_704	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_704	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_704	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_704	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_704	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_704	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_704	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_704	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_704	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_704	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_704	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_704	O=CCCCCCCCCC=C	C112458
PUBCHEM_704	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_704	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_704	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_704	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_704	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_704	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_704	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_704	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_704	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_704	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_704	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_704	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_704	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_704	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_704	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_704	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_704	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_704	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_704	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_704	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_704	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_704	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_704	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_704	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_704	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_704	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_704	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_704	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_704	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_704	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_704	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_704	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_704	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_704	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_704	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_704	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_704	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_704	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_704	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_704	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_704	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_704	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_704	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_704	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_704	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_704	CCCCCc1ccco1	C3777693
PUBCHEM_704	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_705	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_705	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_705	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_705	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_705	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_705	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_705	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_705	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_705	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_705	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_705	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_705	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_705	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_705	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_705	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_705	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_705	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_705	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_705	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_705	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_705	O=CCc1ccccc1	C122781
PUBCHEM_705	CCCCCCCCCC=O	C112312
PUBCHEM_705	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_705	O=CCCCCCC	C111717
PUBCHEM_705	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_705	CCCCCCCCC=O	C124196
PUBCHEM_705	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_705	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_705	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_705	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_705	O=Cc1ccccc1O	C90028
PUBCHEM_705	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_705	CCCCCCCCCC(=O)C	C112129
PUBCHEM_705	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_705	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_705	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_705	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_705	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_705	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_705	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_705	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_705	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_705	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_705	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_705	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_705	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_705	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_705	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_705	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_705	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_705	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_705	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_705	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_705	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_705	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_705	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_705	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_705	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_705	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_705	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_705	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_705	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_705	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_705	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_705	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_705	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_705	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_705	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_705	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_705	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_705	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_705	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_705	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_705	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_705	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_705	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_705	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_705	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_705	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_705	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_705	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_705	O=C(O)c1ccccc1O	C69727
PUBCHEM_705	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_705	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_705	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_705	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_705	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_705	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_705	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_705	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_705	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_705	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_705	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_705	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_705	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_705	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_705	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_705	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_705	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_705	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_705	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_705	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_705	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_705	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_705	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_705	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_705	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_705	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_705	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_705	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_705	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_705	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_705	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_705	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_705	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_705	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_705	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_705	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_705	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_705	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_705	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_705	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_705	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_705	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_705	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_705	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_705	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_705	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_705	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_705	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_705	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_705	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_705	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_705	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_705	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_705	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_705	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_705	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_705	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_705	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_705	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_705	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_705	O=C(c1ccccc1O)C	C118934
PUBCHEM_705	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_705	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_705	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_705	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_705	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_705	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_705	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_705	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_705	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_705	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_705	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_705	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_705	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_705	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_705	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_705	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_705	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_705	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_705	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_705	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_705	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_705	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_705	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_705	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_705	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_705	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_705	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_705	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_705	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_705	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_705	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_705	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_705	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_705	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_705	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_705	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_705	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_705	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_705	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_705	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_705	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_705	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_705	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_705	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_705	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_705	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_705	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_705	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_705	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_705	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_705	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_705	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_705	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_705	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_705	O=C1OC(CCC)CC1	C105215
PUBCHEM_705	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_705	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_705	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_705	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_705	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_705	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_705	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_705	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_705	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_705	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_705	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_705	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_705	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_705	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_705	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_705	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_705	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_705	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_705	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_705	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_705	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_705	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_705	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_705	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_705	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_705	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_705	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_705	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_705	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_705	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_705	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_705	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_705	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_705	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_705	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_705	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_705	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_705	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_705	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_705	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_705	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_705	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_705	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_705	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_705	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_705	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_705	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_705	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_705	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_705	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_705	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_705	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_705	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_705	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_705	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_705	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_705	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_705	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_705	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_705	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_705	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_705	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_705	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_705	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_705	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_705	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_705	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_705	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_705	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_705	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_705	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_705	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_705	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_705	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_705	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_705	c1coc2c1cccc2	C271896
PUBCHEM_705	OC(=O)c1ccccc1	C65850
PUBCHEM_705	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_705	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_705	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_705	O=C(c1ccccc1)CCl	C532274
PUBCHEM_705	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_705	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_705	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_705	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_705	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_705	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_705	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_705	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_705	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_705	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_705	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_705	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_705	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_705	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_705	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_705	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_705	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_705	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_705	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_705	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_705	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_705	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_705	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_705	CCCCCCCCCC(=O)O	C334485
PUBCHEM_705	O=C(O)CCCCCC	C111148
PUBCHEM_705	CCCCCCCCC(=O)O	C112050
PUBCHEM_705	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_705	CCCCCCCC=O	C124130
PUBCHEM_705	CCCCCCCC(=O)O	C124072
PUBCHEM_705	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_705	c1ccccc1C(=O)C	C98862
PUBCHEM_705	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_705	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_705	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_705	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_705	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_705	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_705	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_705	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_705	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_705	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_705	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_705	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_705	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_705	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_705	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_705	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_705	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_705	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_705	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_705	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_705	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_705	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_705	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_705	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_705	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_705	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_705	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_705	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_705	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_705	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_705	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_705	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_705	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_705	O=C(OC)CCCCCCC	C111115
PUBCHEM_705	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_705	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_705	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_705	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_705	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_705	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_705	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_705	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_705	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_705	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_705	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_705	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_705	O=Cc1ccccc1C=O	C643798
PUBCHEM_705	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_705	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_705	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_705	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_705	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_705	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_705	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_705	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_705	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_705	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_705	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_705	O=C(OCC)CCCCCC	C106309
PUBCHEM_705	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_705	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_705	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_705	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_705	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_705	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_705	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_705	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_705	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_705	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_705	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_705	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_705	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_705	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_705	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_705	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_705	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_705	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_705	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_705	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_705	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_705	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_705	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_705	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_705	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_705	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_705	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_705	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_705	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_705	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_705	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_705	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_705	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_705	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_705	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_705	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_705	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_705	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_705	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_705	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_705	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_705	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_705	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_705	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_705	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_705	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_705	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_705	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_705	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_705	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_705	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_705	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_705	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_705	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_705	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_705	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_705	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_705	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_705	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_705	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_705	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_705	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_705	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_705	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_705	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_705	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_705	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_705	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_705	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_705	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_705	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_705	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_705	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_705	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_705	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_705	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_705	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_705	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_705	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_705	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_705	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_705	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_705	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_705	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_705	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_705	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_705	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_705	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_705	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_705	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_705	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_705	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_705	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_705	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_705	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_705	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_705	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_705	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_705	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_705	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_705	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_705	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_705	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_705	O=C(OCC)c1ccccc1	C93890
PUBCHEM_705	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_705	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_705	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_705	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_705	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_705	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_705	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_705	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_705	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_705	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_705	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_705	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_705	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_705	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_705	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_705	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_705	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_705	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_705	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_705	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_705	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_705	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_705	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_705	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_705	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_705	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_705	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_705	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_705	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_705	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_705	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_705	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_705	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_705	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_705	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_705	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_705	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_705	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_705	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_705	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_705	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_705	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_705	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_705	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_705	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_705	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_705	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_705	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_705	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_705	O=CCCCCCCCCC=C	C112458
PUBCHEM_705	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_705	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_705	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_705	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_705	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_705	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_705	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_705	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_705	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_705	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_705	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_705	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_705	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_705	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_705	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_705	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_705	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_705	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_705	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_705	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_705	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_705	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_705	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_705	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_705	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_705	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_705	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_705	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_705	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_705	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_705	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_705	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_705	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_705	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_705	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_705	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_705	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_705	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_705	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_705	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_705	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_705	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_705	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_705	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_705	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_705	CCCCCc1ccco1	C3777693
PUBCHEM_705	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_706	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_706	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_706	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_706	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_706	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_706	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_706	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_706	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_706	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_706	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_706	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_706	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_706	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_706	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_706	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_706	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_706	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_706	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_706	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_706	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_706	O=CCc1ccccc1	C122781
PUBCHEM_706	CCCCCCCCCC=O	C112312
PUBCHEM_706	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_706	O=CCCCCCC	C111717
PUBCHEM_706	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_706	CCCCCCCCC=O	C124196
PUBCHEM_706	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_706	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_706	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_706	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_706	O=Cc1ccccc1O	C90028
PUBCHEM_706	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_706	CCCCCCCCCC(=O)C	C112129
PUBCHEM_706	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_706	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_706	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_706	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_706	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_706	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_706	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_706	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_706	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_706	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_706	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_706	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_706	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_706	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_706	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_706	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_706	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_706	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_706	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_706	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_706	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_706	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_706	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_706	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_706	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_706	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_706	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_706	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_706	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_706	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_706	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_706	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_706	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_706	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_706	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_706	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_706	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_706	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_706	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_706	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_706	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_706	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_706	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_706	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_706	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_706	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_706	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_706	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_706	O=C(O)c1ccccc1O	C69727
PUBCHEM_706	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_706	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_706	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_706	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_706	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_706	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_706	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_706	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_706	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_706	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_706	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_706	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_706	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_706	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_706	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_706	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_706	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_706	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_706	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_706	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_706	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_706	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_706	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_706	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_706	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_706	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_706	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_706	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_706	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_706	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_706	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_706	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_706	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_706	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_706	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_706	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_706	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_706	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_706	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_706	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_706	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_706	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_706	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_706	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_706	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_706	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_706	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_706	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_706	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_706	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_706	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_706	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_706	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_706	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_706	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_706	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_706	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_706	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_706	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_706	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_706	O=C(c1ccccc1O)C	C118934
PUBCHEM_706	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_706	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_706	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_706	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_706	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_706	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_706	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_706	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_706	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_706	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_706	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_706	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_706	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_706	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_706	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_706	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_706	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_706	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_706	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_706	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_706	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_706	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_706	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_706	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_706	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_706	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_706	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_706	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_706	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_706	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_706	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_706	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_706	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_706	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_706	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_706	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_706	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_706	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_706	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_706	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_706	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_706	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_706	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_706	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_706	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_706	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_706	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_706	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_706	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_706	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_706	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_706	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_706	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_706	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_706	O=C1OC(CCC)CC1	C105215
PUBCHEM_706	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_706	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_706	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_706	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_706	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_706	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_706	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_706	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_706	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_706	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_706	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_706	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_706	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_706	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_706	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_706	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_706	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_706	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_706	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_706	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_706	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_706	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_706	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_706	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_706	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_706	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_706	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_706	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_706	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_706	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_706	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_706	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_706	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_706	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_706	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_706	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_706	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_706	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_706	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_706	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_706	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_706	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_706	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_706	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_706	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_706	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_706	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_706	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_706	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_706	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_706	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_706	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_706	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_706	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_706	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_706	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_706	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_706	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_706	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_706	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_706	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_706	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_706	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_706	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_706	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_706	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_706	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_706	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_706	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_706	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_706	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_706	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_706	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_706	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_706	c1coc2c1cccc2	C271896
PUBCHEM_706	OC(=O)c1ccccc1	C65850
PUBCHEM_706	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_706	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_706	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_706	O=C(c1ccccc1)CCl	C532274
PUBCHEM_706	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_706	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_706	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_706	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_706	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_706	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_706	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_706	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_706	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_706	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_706	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_706	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_706	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_706	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_706	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_706	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_706	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_706	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_706	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_706	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_706	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_706	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_706	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_706	CCCCCCCCCC(=O)O	C334485
PUBCHEM_706	O=C(O)CCCCCC	C111148
PUBCHEM_706	CCCCCCCCC(=O)O	C112050
PUBCHEM_706	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_706	CCCCCCCC=O	C124130
PUBCHEM_706	CCCCCCCC(=O)O	C124072
PUBCHEM_706	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_706	c1ccccc1C(=O)C	C98862
PUBCHEM_706	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_706	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_706	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_706	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_706	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_706	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_706	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_706	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_706	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_706	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_706	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_706	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_706	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_706	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_706	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_706	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_706	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_706	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_706	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_706	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_706	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_706	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_706	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_706	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_706	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_706	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_706	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_706	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_706	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_706	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_706	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_706	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_706	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_706	O=C(OC)CCCCCCC	C111115
PUBCHEM_706	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_706	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_706	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_706	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_706	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_706	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_706	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_706	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_706	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_706	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_706	O=Cc1ccccc1C=O	C643798
PUBCHEM_706	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_706	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_706	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_706	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_706	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_706	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_706	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_706	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_706	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_706	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_706	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_706	O=C(OCC)CCCCCC	C106309
PUBCHEM_706	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_706	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_706	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_706	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_706	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_706	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_706	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_706	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_706	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_706	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_706	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_706	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_706	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_706	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_706	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_706	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_706	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_706	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_706	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_706	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_706	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_706	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_706	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_706	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_706	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_706	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_706	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_706	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_706	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_706	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_706	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_706	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_706	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_706	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_706	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_706	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_706	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_706	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_706	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_706	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_706	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_706	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_706	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_706	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_706	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_706	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_706	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_706	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_706	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_706	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_706	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_706	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_706	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_706	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_706	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_706	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_706	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_706	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_706	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_706	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_706	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_706	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_706	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_706	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_706	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_706	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_706	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_706	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_706	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_706	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_706	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_706	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_706	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_706	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_706	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_706	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_706	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_706	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_706	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_706	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_706	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_706	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_706	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_706	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_706	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_706	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_706	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_706	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_706	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_706	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_706	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_706	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_706	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_706	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_706	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_706	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_706	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_706	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_706	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_706	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_706	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_706	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_706	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_706	O=C(OCC)c1ccccc1	C93890
PUBCHEM_706	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_706	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_706	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_706	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_706	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_706	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_706	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_706	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_706	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_706	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_706	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_706	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_706	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_706	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_706	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_706	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_706	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_706	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_706	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_706	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_706	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_706	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_706	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_706	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_706	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_706	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_706	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_706	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_706	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_706	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_706	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_706	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_706	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_706	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_706	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_706	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_706	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_706	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_706	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_706	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_706	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_706	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_706	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_706	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_706	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_706	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_706	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_706	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_706	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_706	O=CCCCCCCCCC=C	C112458
PUBCHEM_706	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_706	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_706	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_706	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_706	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_706	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_706	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_706	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_706	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_706	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_706	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_706	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_706	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_706	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_706	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_706	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_706	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_706	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_706	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_706	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_706	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_706	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_706	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_706	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_706	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_706	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_706	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_706	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_706	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_706	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_706	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_706	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_706	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_706	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_706	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_706	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_706	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_706	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_706	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_706	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_706	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_706	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_706	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_706	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_706	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_706	CCCCCc1ccco1	C3777693
PUBCHEM_706	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_707	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_707	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_707	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_707	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_707	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_707	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_707	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_707	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_707	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_707	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_707	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_707	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_707	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_707	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	C112630
PUBCHEM_707	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_707	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_707	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_707	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_707	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_707	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_707	O=CCc1ccccc1	C122781
PUBCHEM_707	CCCCCCCCCC=O	C112312
PUBCHEM_707	CCCCCCCCCCCC(=O)O	C143077
PUBCHEM_707	O=CCCCCCC	C111717
PUBCHEM_707	OC(=O)CCCCCCCCCCCCCCC	C57103
PUBCHEM_707	CCCCCCCCC=O	C124196
PUBCHEM_707	O=C(O)CCCCCCCC(=O)O	C123999
PUBCHEM_707	O=C(O)CCCCCCCCCCCCC	C544638
PUBCHEM_707	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_707	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_707	O=Cc1ccccc1O	C90028
PUBCHEM_707	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_707	CCCCCCCCCC(=O)C	C112129
PUBCHEM_707	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_707	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_707	n1c(C(=O)O)cccc1C(=O)O	C499832
PUBCHEM_707	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_707	CCCCCCC1OC(=O)CC1	C706149
PUBCHEM_707	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_707	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_707	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_707	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_707	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_707	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_707	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_707	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_707	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_707	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_707	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_707	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_707	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_707	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_707	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_707	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_707	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_707	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_707	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_707	O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1	C58855
PUBCHEM_707	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_707	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_707	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_707	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_707	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_707	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_707	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_707	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_707	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_707	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_707	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_707	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_707	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_707	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_707	O=C(O)CCCCCCC/C=C\C/C=C\CCCCC	C60333
PUBCHEM_707	O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C463401
PUBCHEM_707	O=C(CCCCCCC/C=C\CCCCCCCC)O	C112801
PUBCHEM_707	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_707	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_707	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_707	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_707	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_707	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_707	O=C(O)c1ccccc1O	C69727
PUBCHEM_707	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_707	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_707	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_707	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_707	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_707	O=C(OC(C)C)CCCCCCCCCCCCC	C110270
PUBCHEM_707	O=C(OC)CCCCCCCCC	C110429
PUBCHEM_707	O=C(O)CCCCCCCCC(=O)O	C111206
PUBCHEM_707	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_707	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_707	O=C(N(C)C)CCCCCCC	C1118929
PUBCHEM_707	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_707	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_707	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_707	O=C(CCCCCCC/C=C\CCCCCCCC)OCCO	C9004960
PUBCHEM_707	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_707	OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	C25496724
PUBCHEM_707	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_707	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_707	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_707	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_707	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_707	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_707	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC	C11099073
PUBCHEM_707	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_707	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_707	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_707	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_707	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_707	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_707	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_707	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_707	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_707	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_707	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_707	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_707	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_707	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_707	O=C1OC(CCCCC)CC1	C104610
PUBCHEM_707	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_707	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_707	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_707	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_707	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_707	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_707	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_707	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_707	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_707	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_707	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_707	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_707	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_707	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_707	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_707	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_707	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_707	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_707	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_707	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_707	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_707	O=C(c1ccccc1O)C	C118934
PUBCHEM_707	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_707	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_707	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_707	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_707	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_707	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_707	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_707	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_707	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_707	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_707	OCC(O)COC(=O)CCCCCCCCCCC	C142187
PUBCHEM_707	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_707	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_707	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_707	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_707	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_707	O=c1ccoc(CC)c1O	C4940118
PUBCHEM_707	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_707	O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCC	C141220
PUBCHEM_707	OC1=C(O)C(=O)O[C@@H]1[C@@H](O)COC(=O)CCCCCCCCCCCCCCC	C137666
PUBCHEM_707	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_707	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_707	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_707	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_707	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_707	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_707	O=C(CCCCCCC)OCC(O)CO	C26402266
PUBCHEM_707	O=C(OCC(O)CO)CCCCCCC/C=C\C[C@H](O)CCCCCC	C1323382
PUBCHEM_707	O=C(O)CN(C(=O)CCCCCCCCCCC)C	C97789
PUBCHEM_707	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_707	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_707	O=C(N(C)CC(=O)O)CCCCCCC/C=C\CCCCCCCC	C110258
PUBCHEM_707	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_707	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_707	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_707	O=C(CCCCCCCCCCCCC)OCC(O)CO	C589684
PUBCHEM_707	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_707	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_707	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_707	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_707	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_707	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_707	O=C(OCCCC)CCCCCCCC(=O)OCCCC	C2917739
PUBCHEM_707	O=C(CCCCCCCCC=C)OCC	C692864
PUBCHEM_707	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_707	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_707	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_707	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_707	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_707	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_707	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_707	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_707	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_707	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_707	O=C1OC(CCC)CC1	C105215
PUBCHEM_707	O=C(CCCCCCC/C=C\CCCCCCCC)OCC	C111626
PUBCHEM_707	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_707	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_707	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_707	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_707	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_707	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_707	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_707	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_707	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_707	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_707	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_707	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_707	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_707	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_707	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_707	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_707	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_707	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_707	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_707	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_707	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_707	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_707	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_707	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_707	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_707	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_707	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_707	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_707	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_707	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_707	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_707	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_707	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_707	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_707	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_707	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_707	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_707	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_707	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335671
PUBCHEM_707	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_707	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_707	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_707	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_707	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_707	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_707	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_707	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_707	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_707	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_707	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_707	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_707	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_707	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_707	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_707	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_707	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_707	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_707	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_707	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_707	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_707	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_707	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_707	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_707	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_707	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_707	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_707	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_707	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_707	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_707	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_707	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_707	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_707	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_707	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_707	c1coc2c1cccc2	C271896
PUBCHEM_707	OC(=O)c1ccccc1	C65850
PUBCHEM_707	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_707	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_707	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_707	O=C(c1ccccc1)CCl	C532274
PUBCHEM_707	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_707	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_707	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_707	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_707	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_707	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_707	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_707	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_707	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_707	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_707	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_707	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_707	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_707	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_707	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_707	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_707	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_707	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_707	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_707	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_707	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_707	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_707	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_707	CCCCCCCCCC(=O)O	C334485
PUBCHEM_707	O=C(O)CCCCCC	C111148
PUBCHEM_707	CCCCCCCCC(=O)O	C112050
PUBCHEM_707	CCCCCCCCCCCCCCCCCC(=O)O	C57114
PUBCHEM_707	CCCCCCCC=O	C124130
PUBCHEM_707	CCCCCCCC(=O)O	C124072
PUBCHEM_707	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_707	c1ccccc1C(=O)C	C98862
PUBCHEM_707	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_707	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_707	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_707	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_707	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_707	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_707	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_707	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_707	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_707	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_707	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_707	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_707	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_707	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_707	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_707	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_707	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_707	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_707	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_707	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_707	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_707	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_707	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_707	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_707	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_707	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_707	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_707	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_707	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_707	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_707	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_707	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_707	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_707	O=C(OC)CCCCCCC	C111115
PUBCHEM_707	O=C(OC)CCCCCCCCCCC	C111820
PUBCHEM_707	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_707	O[C@@H]1[C@@H](O)[C@@H]([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC1	C1338438
PUBCHEM_707	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_707	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_707	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_707	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_707	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_707	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_707	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_707	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C335762
PUBCHEM_707	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375951
PUBCHEM_707	O=Cc1ccccc1C=O	C643798
PUBCHEM_707	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_707	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_707	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_707	O=C1CCC(O1)CCCCCCC	C104676
PUBCHEM_707	O=C(O)CCCCCCCCC=C	C112389
PUBCHEM_707	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_707	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_707	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C375859
PUBCHEM_707	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	C3825261
PUBCHEM_707	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_707	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_707	O=C(OCC)CCCCCC	C106309
PUBCHEM_707	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_707	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_707	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_707	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_707	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_707	O=C(OCCCC)CCCCCCCCC(=O)OCCCC	C109433
PUBCHEM_707	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_707	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_707	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_707	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_707	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_707	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_707	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_707	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_707	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_707	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_707	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_707	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_707	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_707	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_707	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_707	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_707	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_707	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_707	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_707	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_707	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_707	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_707	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_707	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_707	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_707	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_707	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_707	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_707	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_707	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_707	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_707	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_707	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_707	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_707	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_707	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_707	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_707	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_707	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_707	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_707	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_707	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_707	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_707	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_707	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_707	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_707	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_707	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_707	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_707	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_707	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_707	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_707	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_707	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_707	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_707	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_707	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_707	CC(=O)OC(COC(=O)C)COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C	C330198919
PUBCHEM_707	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_707	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_707	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_707	O=C(CCCCC(=O)OC(C)COC(=O)CCCCCCCCCCC)O	C66456539
PUBCHEM_707	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_707	O=C(CCCCCCCCC(=O)OCCCCCCCC)OCCCCCCCC	C2432873
PUBCHEM_707	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_707	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_707	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_707	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	C2058948
PUBCHEM_707	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_707	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_707	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_707	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_707	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_707	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_707	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_707	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_707	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_707	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_707	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_707	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_707	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_707	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_707	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_707	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_707	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_707	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_707	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_707	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_707	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_707	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_707	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_707	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_707	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_707	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_707	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_707	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_707	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_707	O=C(OCC)c1ccccc1	C93890
PUBCHEM_707	O=CCCCCCCCCC/C=C\CCCC	C53939289
PUBCHEM_707	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_707	C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO	C9005656
PUBCHEM_707	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_707	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_707	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_707	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_707	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_707	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_707	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_707	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_707	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_707	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_707	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_707	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_707	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_707	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_707	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_707	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_707	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_707	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_707	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_707	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_707	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_707	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_707	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_707	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_707	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_707	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_707	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_707	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_707	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_707	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_707	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_707	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_707	O=C(O)CCCCCCCCCCC(O)CCCCCC	C106149
PUBCHEM_707	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_707	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_707	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_707	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_707	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_707	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_707	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_707	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_707	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_707	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_707	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_707	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_707	O=C(O)C(Br)CCCCCCCCCCCCCC	C18263257
PUBCHEM_707	O=CCCCCCCCCC=C	C112458
PUBCHEM_707	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_707	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_707	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_707	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_707	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_707	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_707	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_707	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_707	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_707	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_707	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_707	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_707	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_707	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_707	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_707	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_707	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_707	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_707	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_707	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_707	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_707	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_707	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_707	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_707	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_707	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_707	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_707	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_707	O=C(O)CCCCCCCCCC(=O)O	C1852046
PUBCHEM_707	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_707	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_707	O=C(NCCCN(C)C)CCCCCCCCCCC	C3179804
PUBCHEM_707	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_707	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_707	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_707	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_707	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_707	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_707	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_707	O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO	C2224499
PUBCHEM_707	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_707	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_707	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_707	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_707	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_707	CCCCCc1ccco1	C3777693
PUBCHEM_707	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_708	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_708	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_708	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_708	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_708	CC(=O)OCc1ccccc1	C140114
PUBCHEM_708	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_708	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_708	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_708	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_708	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_708	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_708	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_708	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_708	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_708	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_708	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_708	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_708	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_708	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_708	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_708	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_708	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_708	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_708	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_708	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_708	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_708	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_708	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_708	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_708	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_708	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_708	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_708	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_708	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_708	c1cccc2[nH]ccc12	C120729
PUBCHEM_708	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_708	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_708	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_708	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_708	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_708	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_708	C=Cc1ccc(cc1)C	C622979
PUBCHEM_708	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_708	NC(=O)c1cccnc1	C98920
PUBCHEM_708	OC(=O)c1cccnc1	C59676
PUBCHEM_708	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_708	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_708	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_708	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_708	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_708	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_708	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_708	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_708	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_708	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_708	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_708	Nc1ccccc1C.Cl	C636215
PUBCHEM_708	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_708	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_708	O=CCc1ccccc1	C122781
PUBCHEM_708	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_708	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_708	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_708	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_708	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_708	O=Cc1ccccc1O	C90028
PUBCHEM_708	Oc1cccc2ccccc12	C90153
PUBCHEM_708	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_708	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_708	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_708	CC(O)CC(C)(C)O	C107415
PUBCHEM_708	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_708	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_708	Oc1ccc(CC)cc1	C123079
PUBCHEM_708	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_708	Oc1ccc(CCC)cc1	C645567
PUBCHEM_708	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_708	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_708	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_708	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_708	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_708	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_708	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_708	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_708	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_708	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_708	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_708	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_708	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_708	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_708	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_708	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_708	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_708	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_708	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_708	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_708	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_708	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_708	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_708	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_708	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_708	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_708	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_708	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_708	c1(c(CC)cccc1)O	C90006
PUBCHEM_708	c1c(O)cccc1CC	C620177
PUBCHEM_708	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_708	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_708	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_708	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_708	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_708	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_708	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_708	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_708	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_708	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_708	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_708	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_708	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_708	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_708	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_708	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_708	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_708	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_708	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_708	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_708	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_708	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_708	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_708	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_708	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_708	Cc1cc(O)ccc1	C108394
PUBCHEM_708	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_708	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_708	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_708	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_708	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_708	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_708	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_708	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_708	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_708	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_708	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_708	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_708	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_708	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_708	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_708	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_708	Cc1c(C)cccc1O	C526750
PUBCHEM_708	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_708	C=Cc1ccccc1C=C	C1321740
PUBCHEM_708	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_708	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_708	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_708	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_708	C(CC)(C=O)CCCC	C123057
PUBCHEM_708	OCC(C(O)CCC)CC	C94962
PUBCHEM_708	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_708	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_708	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_708	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_708	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_708	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_708	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_708	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_708	N#CC(CCC#N)C	C4553622
PUBCHEM_708	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_708	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_708	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_708	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_708	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_708	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_708	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_708	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_708	c12ccccc1CCCC2	C119642
PUBCHEM_708	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_708	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_708	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_708	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_708	Cc1cccc(C)c1	C108383
PUBCHEM_708	OCCc1ccccc1	C60128
PUBCHEM_708	O=C(O)c1ccccc1O	C69727
PUBCHEM_708	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_708	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_708	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_708	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_708	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_708	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_708	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_708	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_708	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_708	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_708	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_708	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_708	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_708	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_708	Oc1ccc2ccccc2c1	C135193
PUBCHEM_708	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_708	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_708	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_708	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_708	Nc1cccc(C)c1C	C1300738
PUBCHEM_708	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_708	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_708	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_708	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_708	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_708	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_708	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_708	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_708	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_708	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_708	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_708	Nc1c(C)cccc1CC	C24549062
PUBCHEM_708	Clc1cccc(C)c1	C25168052
PUBCHEM_708	SC(C)(C)CCCCCC	C25360105
PUBCHEM_708	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_708	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_708	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_708	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_708	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_708	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_708	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_708	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_708	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_708	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_708	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_708	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_708	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_708	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_708	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_708	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_708	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_708	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_708	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_708	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_708	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_708	OCC(CCC)CCCCC	C10042598
PUBCHEM_708	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_708	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_708	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_708	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_708	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_708	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_708	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_708	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_708	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_708	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_708	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_708	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_708	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_708	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_708	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_708	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_708	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_708	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_708	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_708	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_708	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_708	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_708	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_708	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_708	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_708	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_708	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_708	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_708	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_708	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_708	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_708	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_708	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_708	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_708	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_708	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_708	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_708	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_708	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_708	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_708	[O-][N+](=O)/N=C(\NCC1COCC1)/NC	C165252700
PUBCHEM_708	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_708	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_708	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_708	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_708	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_708	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_708	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_708	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_708	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_708	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_708	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_708	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_708	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_708	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_708	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_708	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_708	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_708	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_708	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_708	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_708	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_708	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_708	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_708	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_708	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_708	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_708	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_708	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_708	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_708	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_708	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_708	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_708	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_708	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_708	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_708	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_708	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_708	O=C(c1ccccc1O)C	C118934
PUBCHEM_708	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_708	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_708	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_708	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_708	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_708	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_708	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_708	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_708	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_708	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_708	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_708	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_708	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_708	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_708	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_708	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_708	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_708	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_708	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_708	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_708	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_708	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_708	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_708	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_708	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_708	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_708	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_708	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_708	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_708	Oc1ccccc1CN(C)C	C120650
PUBCHEM_708	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_708	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_708	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_708	O=C1NC(=O)C(N1)(CC)C	C5394365
PUBCHEM_708	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_708	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_708	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_708	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_708	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_708	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_708	O=C(CC(C)C)OCC(C)CC	C2445774
PUBCHEM_708	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_708	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_708	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_708	OCC=Cc1ccccc1	C104541
PUBCHEM_708	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_708	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_708	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_708	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_708	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_708	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_708	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_708	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_708	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_708	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_708	N#Cc1c(O)cccc1	C611201
PUBCHEM_708	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_708	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_708	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_708	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_708	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_708	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_708	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_708	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_708	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_708	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_708	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_708	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_708	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_708	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_708	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_708	OCCOCC(CC)CCCC	C1559359
PUBCHEM_708	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_708	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_708	c12ccccc1CC=C2	C95136
PUBCHEM_708	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_708	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_708	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_708	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_708	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_708	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_708	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_708	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_708	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_708	COc1ccc(CCC)cc1	C104450
PUBCHEM_708	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_708	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_708	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_708	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_708	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_708	OC(CO)c1ccccc1	C93561
PUBCHEM_708	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_708	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_708	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_708	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_708	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_708	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_708	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_708	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_708	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_708	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_708	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_708	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_708	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_708	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_708	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_708	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_708	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_708	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_708	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_708	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_708	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_708	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_708	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_708	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_708	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_708	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_708	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_708	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_708	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_708	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_708	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_708	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_708	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_708	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_708	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_708	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_708	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_708	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_708	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_708	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_708	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_708	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_708	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_708	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_708	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_708	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_708	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_708	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_708	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_708	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_708	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_708	Sc1ccc(C)cc1	C106456
PUBCHEM_708	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_708	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_708	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_708	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_708	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_708	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_708	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_708	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_708	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_708	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_708	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_708	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_708	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_708	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_708	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_708	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_708	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_708	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_708	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_708	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_708	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_708	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_708	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_708	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_708	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_708	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_708	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_708	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_708	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_708	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_708	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_708	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_708	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_708	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_708	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_708	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_708	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_708	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_708	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_708	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_708	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_708	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_708	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_708	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_708	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_708	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_708	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_708	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_708	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_708	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_708	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_708	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_708	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_708	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_708	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_708	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_708	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_708	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_708	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_708	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_708	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_708	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_708	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_708	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_708	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_708	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_708	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_708	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_708	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_708	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_708	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_708	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_708	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_708	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_708	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_708	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_708	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_708	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_708	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_708	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_708	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_708	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_708	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_708	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_708	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_708	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_708	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_708	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_708	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_708	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_708	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_708	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_708	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_708	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_708	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_708	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_708	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_708	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_708	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_708	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_708	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_708	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_708	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_708	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_708	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_708	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_708	O=C(N(C)C)Oc1nc(N(C)C)nc(C)c1C	C23103982
PUBCHEM_708	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_708	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_708	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_708	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_708	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_708	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_708	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_708	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_708	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_708	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_708	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_708	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_708	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_708	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_708	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_708	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_708	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_708	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_708	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_708	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_708	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_708	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_708	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_708	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_708	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_708	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_708	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_708	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_708	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_708	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_708	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_708	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_708	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_708	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_708	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_708	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_708	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_708	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_708	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_708	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_708	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_708	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_708	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_708	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_708	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_708	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_708	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_708	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_708	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_708	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_708	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_708	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_708	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_708	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_708	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_708	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_708	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_708	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_708	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_708	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_708	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_708	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_708	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_708	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_708	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_708	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_708	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_708	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_708	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_708	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_708	c1coc2c1cccc2	C271896
PUBCHEM_708	OC(=O)c1ccccc1	C65850
PUBCHEM_708	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_708	OCc1ccccc1	C100516
PUBCHEM_708	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_708	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_708	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_708	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_708	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_708	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_708	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_708	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_708	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_708	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_708	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_708	O=C(c1ccccc1)CCl	C532274
PUBCHEM_708	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_708	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_708	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_708	Nc1cc(ccc1OC)C	C120718
PUBCHEM_708	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_708	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_708	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_708	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_708	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_708	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_708	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_708	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_708	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_708	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_708	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_708	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_708	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_708	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_708	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_708	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_708	CCC(CCCC)CO	C104767
PUBCHEM_708	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_708	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_708	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_708	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_708	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_708	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_708	Oc1cccc2cccnc12	C148243
PUBCHEM_708	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_708	O=C(c1ccncc1)NN	C54853
PUBCHEM_708	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_708	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_708	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_708	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_708	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_708	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_708	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_708	Cc1cc2cccnc2cc1	C91623
PUBCHEM_708	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_708	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_708	c1c2c(ccc1)cccc2	C91203
PUBCHEM_708	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_708	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_708	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_708	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_708	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_708	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_708	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_708	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_708	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_708	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_708	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_708	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_708	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_708	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_708	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_708	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_708	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_708	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_708	C1C(c2ccccc2)O1	C96093
PUBCHEM_708	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_708	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_708	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_708	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_708	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_708	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_708	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_708	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_708	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_708	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_708	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_708	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_708	n1cccc2c1cccc2	C91225
PUBCHEM_708	Oc1c(C)cccc1	C95487
PUBCHEM_708	c1ccccc1C(=O)C	C98862
PUBCHEM_708	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_708	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_708	CCNc1cc(C)ccc1	C102272
PUBCHEM_708	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_708	Oc1ccc(C)cc1	C106445
PUBCHEM_708	Nc1ccc(C)cc1	C106490
PUBCHEM_708	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_708	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_708	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_708	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_708	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_708	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_708	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_708	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_708	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_708	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_708	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_708	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_708	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_708	c1(CCCC)ccccc1	C104518
PUBCHEM_708	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_708	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_708	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_708	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_708	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_708	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_708	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_708	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_708	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_708	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_708	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_708	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_708	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_708	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_708	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_708	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_708	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_708	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_708	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_708	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_708	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_708	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_708	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_708	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_708	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_708	Cc1ccccc1Cl	C95498
PUBCHEM_708	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_708	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_708	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_708	Oc1c(cccc1C)C	C576261
PUBCHEM_708	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_708	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_708	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_708	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_708	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_708	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_708	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_708	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_708	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_708	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_708	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_708	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_708	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_708	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_708	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_708	Cc1ccc(Cl)cc1	C106434
PUBCHEM_708	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_708	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_708	Nc1cc(C)ccc1N	C496720
PUBCHEM_708	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_708	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_708	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_708	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_708	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_708	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_708	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_708	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_708	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_708	O=C(O)C(CCCC)CC	C149575
PUBCHEM_708	C(CC(C)C)OC(=O)C	C123922
PUBCHEM_708	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_708	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_708	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_708	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_708	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_708	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_708	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_708	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_708	Nc1c(cccc1)C	C95534
PUBCHEM_708	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_708	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_708	Nc1c(cccc1C)C	C87627
PUBCHEM_708	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_708	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_708	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_708	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_708	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_708	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_708	N#Cc1cnccc1	C100549
PUBCHEM_708	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_708	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_708	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_708	OC(CC(C)C)C	C108112
PUBCHEM_708	Nc1cccc(C)c1	C108441
PUBCHEM_708	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_708	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_708	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_708	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_708	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_708	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_708	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_708	Nc1c(CC)cccc1CC	C579668
PUBCHEM_708	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_708	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_708	Nc1cccc(C)c1N	C2687254
PUBCHEM_708	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_708	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_708	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_708	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_708	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_708	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_708	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_708	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_708	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_708	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_708	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_708	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_708	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_708	CCC12N(COC1)COC2	C7747355
PUBCHEM_708	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_708	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_708	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_708	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_708	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_708	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_708	O=Cc1ccccc1C=O	C643798
PUBCHEM_708	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_708	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_708	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_708	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_708	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_708	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_708	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_708	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_708	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_708	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_708	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_708	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_708	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_708	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_708	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_708	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_708	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_708	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_708	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_708	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_708	O=C(CCC)OCCC(C)C	C106274
PUBCHEM_708	CCCc1ccccc1	C103651
PUBCHEM_708	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_708	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_708	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_708	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_708	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_708	CC(C)(C)c1ccccc1	C98066
PUBCHEM_708	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_708	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_708	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_708	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_708	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_708	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_708	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_708	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_708	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_708	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_708	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_708	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_708	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_708	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_708	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_708	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_708	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_708	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_708	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_708	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_708	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_708	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_708	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_708	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_708	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_708	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_708	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_708	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_708	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_708	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_708	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_708	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_708	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_708	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_708	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_708	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_708	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_708	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_708	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_708	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_708	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_708	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_708	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_708	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_708	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_708	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_708	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_708	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_708	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_708	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_708	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_708	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_708	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_708	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_708	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_708	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_708	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_708	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_708	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_708	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_708	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_708	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_708	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_708	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_708	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_708	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_708	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_708	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_708	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_708	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_708	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_708	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_708	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_708	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_708	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_708	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_708	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_708	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_708	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_708	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_708	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_708	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_708	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_708	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_708	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_708	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_708	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_708	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_708	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_708	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_708	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_708	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_708	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_708	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_708	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_708	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_708	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_708	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_708	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_708	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_708	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_708	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_708	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_708	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_708	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_708	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_708	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_708	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_708	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_708	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_708	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_708	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_708	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_708	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_708	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_708	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_708	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_708	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_708	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_708	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_708	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_708	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_708	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_708	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_708	C(CO)C(C)C	C123513
PUBCHEM_708	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_708	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_708	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_708	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_708	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_708	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_708	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_708	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_708	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_708	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_708	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_708	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_708	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_708	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_708	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_708	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_708	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_708	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_708	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_708	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_708	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_708	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_708	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_708	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_708	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_708	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_708	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_708	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_708	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_708	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_708	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_708	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_708	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_708	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_708	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_708	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_708	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_708	O=C(OCC)c1ccccc1	C93890
PUBCHEM_708	NCc1cccc(CN)c1	C1477550
PUBCHEM_708	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_708	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_708	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_708	CC(=O)CCC(C)C	C110123
PUBCHEM_708	n1cc(C)ccc1	C108996
PUBCHEM_708	CC(=O)CC(C)C	C108101
PUBCHEM_708	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_708	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_708	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_708	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_708	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_708	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_708	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_708	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_708	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_708	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_708	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_708	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_708	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_708	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_708	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_708	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_708	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_708	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_708	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_708	N#Cc1ccccc1	C100470
PUBCHEM_708	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_708	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_708	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_708	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_708	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_708	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_708	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_708	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_708	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_708	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_708	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_708	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_708	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_708	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_708	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_708	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_708	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_708	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_708	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_708	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_708	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_708	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_708	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_708	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_708	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_708	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_708	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_708	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_708	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_708	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_708	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_708	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_708	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_708	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_708	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_708	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_708	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_708	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_708	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_708	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_708	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_708	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_708	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_708	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_708	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_708	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_708	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_708	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_708	O=C1CC(C=CCCCCCCCCCC)C(=O)O1	C25377735
PUBCHEM_708	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_708	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_708	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_708	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_708	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_708	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_708	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_708	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_708	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_708	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_708	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_708	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_708	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_708	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_708	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_708	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_708	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_708	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_708	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_708	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_708	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_708	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_708	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_708	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_708	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_708	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_708	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_708	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_708	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_708	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_708	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_708	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_708	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_708	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_708	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_708	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_708	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_708	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_708	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_708	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_708	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_708	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_708	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_708	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_708	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_708	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_708	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_708	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_708	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_708	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_708	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_708	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_708	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_708	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_708	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_708	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_708	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_708	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_708	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_708	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_708	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_708	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_708	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_708	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_708	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_708	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_708	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_708	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_708	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_708	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_708	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_708	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_708	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_708	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_708	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_708	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_708	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_708	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_708	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_708	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_708	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_708	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_708	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_708	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_708	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_708	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_708	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_708	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_708	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_708	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_708	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_708	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_708	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_708	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_708	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_708	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_708	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_708	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_708	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_708	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_708	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_708	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_708	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_708	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_708	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_708	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_708	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_708	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_708	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_708	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_708	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_708	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_708	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_708	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_708	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_708	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_708	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_708	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_708	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_708	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_708	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_708	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_708	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_708	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_708	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_708	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_708	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_708	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_708	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_708	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_709	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_709	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_709	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_709	CC(=O)OCc1ccccc1	C140114
PUBCHEM_709	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_709	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_709	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_709	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_709	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_709	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_709	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_709	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_709	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_709	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_709	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_709	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_709	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_709	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_709	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_709	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_709	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_709	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_709	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_709	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_709	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_709	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_709	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_709	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_709	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_709	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_709	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_709	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_709	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_709	c1cccc2[nH]ccc12	C120729
PUBCHEM_709	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_709	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_709	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_709	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_709	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_709	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_709	C=Cc1ccc(cc1)C	C622979
PUBCHEM_709	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_709	NC(=O)c1cccnc1	C98920
PUBCHEM_709	OC(=O)c1cccnc1	C59676
PUBCHEM_709	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_709	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_709	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_709	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_709	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_709	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_709	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_709	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_709	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_709	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_709	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_709	Nc1ccccc1C.Cl	C636215
PUBCHEM_709	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_709	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_709	O=CCc1ccccc1	C122781
PUBCHEM_709	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_709	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_709	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_709	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_709	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_709	O=Cc1ccccc1O	C90028
PUBCHEM_709	Oc1cccc2ccccc12	C90153
PUBCHEM_709	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_709	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_709	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_709	CC(O)CC(C)(C)O	C107415
PUBCHEM_709	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_709	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_709	Oc1ccc(CC)cc1	C123079
PUBCHEM_709	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_709	Oc1ccc(CCC)cc1	C645567
PUBCHEM_709	C=CC(CCC=C(C)CCC=C(C)C)(C)O	C7212444
PUBCHEM_709	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_709	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_709	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_709	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_709	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_709	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_709	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_709	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_709	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_709	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_709	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_709	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_709	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_709	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_709	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_709	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_709	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_709	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_709	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_709	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_709	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_709	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_709	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_709	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_709	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_709	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_709	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_709	c1(c(CC)cccc1)O	C90006
PUBCHEM_709	c1c(O)cccc1CC	C620177
PUBCHEM_709	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_709	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_709	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_709	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_709	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_709	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_709	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_709	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_709	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_709	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_709	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_709	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_709	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_709	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_709	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_709	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_709	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_709	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_709	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_709	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_709	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_709	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_709	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_709	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_709	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_709	Cc1cc(O)ccc1	C108394
PUBCHEM_709	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_709	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_709	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_709	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_709	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_709	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_709	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_709	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_709	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_709	C(C(=O)C)C(C)(C)O	C123422
PUBCHEM_709	N#CC(Br)(CCC#N)CBr	C35691657
PUBCHEM_709	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_709	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_709	O=C(CC(C)C)CC(C)C	C108838
PUBCHEM_709	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_709	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_709	Cc1c(C)cccc1O	C526750
PUBCHEM_709	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_709	C=Cc1ccccc1C=C	C1321740
PUBCHEM_709	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_709	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_709	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_709	C(CC)(C=O)CCCC	C123057
PUBCHEM_709	OCC(C(O)CCC)CC	C94962
PUBCHEM_709	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_709	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_709	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_709	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_709	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_709	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_709	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_709	OC(C=C)(CCC=C(C)C)C	C78706
PUBCHEM_709	N#CC(CCC#N)C	C4553622
PUBCHEM_709	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_709	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_709	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_709	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_709	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_709	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_709	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_709	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_709	c12ccccc1CCCC2	C119642
PUBCHEM_709	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_709	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_709	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_709	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_709	Cc1cccc(C)c1	C108383
PUBCHEM_709	OCCc1ccccc1	C60128
PUBCHEM_709	O=C(O)c1ccccc1O	C69727
PUBCHEM_709	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_709	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_709	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_709	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_709	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_709	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_709	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_709	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_709	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_709	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_709	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_709	O=C(C)OC(CCC=C(C)C)(C)C=C	C115957
PUBCHEM_709	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_709	Oc1ccc2ccccc2c1	C135193
PUBCHEM_709	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_709	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_709	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_709	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_709	Nc1cccc(C)c1C	C1300738
PUBCHEM_709	O=C(CCCCC(=O)OCCCCCC(C)C)OCCCCCC(C)C	C1330865
PUBCHEM_709	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_709	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_709	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_709	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_709	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_709	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_709	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_709	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_709	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_709	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_709	Nc1c(C)cccc1CC	C24549062
PUBCHEM_709	Clc1cccc(C)c1	C25168052
PUBCHEM_709	SC(C)(C)CCCCCC	C25360105
PUBCHEM_709	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
PUBCHEM_709	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_709	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_709	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_709	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_709	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_709	O=C(O)CCCCCCCCCCCCCCC(C)C	C30399849
PUBCHEM_709	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_709	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_709	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_709	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_709	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_709	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_709	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_709	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_709	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_709	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_709	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_709	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_709	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_709	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_709	OCC(CCC)CCCCC	C10042598
PUBCHEM_709	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_709	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_709	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_709	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_709	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_709	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_709	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_709	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_709	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_709	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_709	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_709	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_709	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_709	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_709	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_709	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_709	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_709	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_709	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_709	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_709	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_709	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_709	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_709	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_709	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_709	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_709	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_709	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_709	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_709	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_709	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_709	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_709	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_709	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_709	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_709	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_709	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_709	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_709	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_709	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_709	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_709	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_709	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_709	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_709	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_709	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_709	O=S(=O)(c1ncccc1C(=O)N(C)C)NC(=O)Nc1nc(OC)cc(OC)n1	C111991094
PUBCHEM_709	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_709	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_709	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_709	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_709	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_709	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_709	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_709	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_709	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_709	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_709	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_709	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_709	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_709	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_709	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_709	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_709	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_709	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_709	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_709	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_709	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_709	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_709	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_709	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_709	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_709	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_709	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_709	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_709	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_709	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_709	O=C(c1ccccc1O)C	C118934
PUBCHEM_709	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_709	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_709	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_709	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_709	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_709	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_709	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_709	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_709	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_709	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_709	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_709	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_709	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_709	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_709	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_709	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_709	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_709	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_709	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_709	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_709	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_709	CC(C)C1=CCC(=CC1)C	C99854
PUBCHEM_709	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_709	CC1=CC=C(C(C)C)CC1	C99865
PUBCHEM_709	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_709	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_709	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_709	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_709	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_709	Oc1ccccc1CN(C)C	C120650
PUBCHEM_709	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_709	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_709	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_709	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_709	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_709	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_709	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_709	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_709	OC(CCCC(C)C)(C)C	C13254347
PUBCHEM_709	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_709	OC(CC(C)C)(C)C#C	C107540
PUBCHEM_709	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_709	OCC=Cc1ccccc1	C104541
PUBCHEM_709	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_709	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_709	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_709	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_709	OC(CCCC(C)C=C)(C)C	C53219219
PUBCHEM_709	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_709	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_709	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_709	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_709	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_709	N#Cc1c(O)cccc1	C611201
PUBCHEM_709	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_709	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_709	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_709	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_709	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_709	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_709	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_709	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_709	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_709	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_709	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_709	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_709	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_709	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_709	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_709	OCCOCC(CC)CCCC	C1559359
PUBCHEM_709	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_709	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_709	c12ccccc1CC=C2	C95136
PUBCHEM_709	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_709	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_709	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_709	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_709	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_709	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_709	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_709	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_709	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_709	COc1ccc(CCC)cc1	C104450
PUBCHEM_709	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_709	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_709	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_709	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_709	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_709	OC(CO)c1ccccc1	C93561
PUBCHEM_709	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_709	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_709	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_709	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_709	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_709	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_709	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_709	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_709	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_709	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_709	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_709	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_709	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_709	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_709	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_709	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_709	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_709	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_709	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_709	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_709	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_709	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_709	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_709	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_709	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_709	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_709	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_709	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_709	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_709	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_709	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_709	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_709	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_709	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_709	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_709	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_709	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_709	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_709	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_709	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_709	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_709	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_709	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_709	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_709	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_709	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_709	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_709	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_709	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_709	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_709	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_709	Sc1ccc(C)cc1	C106456
PUBCHEM_709	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_709	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_709	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_709	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_709	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_709	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_709	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_709	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_709	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_709	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_709	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_709	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_709	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_709	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_709	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_709	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_709	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_709	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_709	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_709	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_709	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_709	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_709	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_709	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_709	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_709	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_709	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_709	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_709	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_709	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_709	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_709	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_709	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_709	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_709	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_709	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_709	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_709	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_709	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_709	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_709	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_709	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_709	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_709	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_709	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_709	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_709	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_709	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_709	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_709	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_709	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_709	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_709	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_709	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_709	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_709	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_709	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_709	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_709	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_709	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_709	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_709	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_709	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_709	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_709	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_709	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_709	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_709	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_709	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_709	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_709	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_709	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_709	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_709	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_709	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_709	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_709	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_709	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_709	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_709	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_709	Cc1nc(Nc2ccccc2)nc(C2CC2)c1	C121552612
PUBCHEM_709	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_709	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_709	O=C(CCl)N(C(C)COC)c1c(C)scc1C	C87674688
PUBCHEM_709	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_709	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_709	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_709	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_709	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_709	Clc1ccc(cn1)CN1/C(=N/[N+](=O)[O-])/NCC1	C138261413
PUBCHEM_709	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_709	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_709	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_709	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_709	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_709	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_709	O=C(OCCC)c1ccc(C(=O)OCCC)nc1	C136458
PUBCHEM_709	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_709	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_709	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_709	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_709	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_709	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_709	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_709	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_709	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_709	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_709	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_709	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_709	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_709	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_709	O=C1NN=C(CN1/N=C/c1cccnc1)C	C123312890
PUBCHEM_709	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_709	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_709	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_709	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_709	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_709	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_709	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_709	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_709	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_709	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_709	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_709	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_709	CC(=NC#N)N(C)Cc1cnc(Cl)cc1	C135410207
PUBCHEM_709	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_709	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_709	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_709	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_709	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_709	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_709	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_709	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_709	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_709	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_709	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_709	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_709	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_709	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_709	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_709	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_709	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_709	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_709	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_709	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_709	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_709	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_709	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_709	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_709	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_709	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_709	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_709	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_709	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_709	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_709	Clc1ccc(cn1)CN1/C(=N/C#N)/SCC1	C111988499
PUBCHEM_709	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_709	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_709	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_709	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_709	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_709	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_709	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_709	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_709	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_709	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_709	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_709	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_709	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_709	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_709	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_709	c1coc2c1cccc2	C271896
PUBCHEM_709	OC(=O)c1ccccc1	C65850
PUBCHEM_709	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_709	OCc1ccccc1	C100516
PUBCHEM_709	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_709	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_709	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_709	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_709	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_709	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_709	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_709	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_709	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_709	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_709	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_709	O=C(c1ccccc1)CCl	C532274
PUBCHEM_709	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_709	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_709	Nc1cc(ccc1OC)C	C120718
PUBCHEM_709	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_709	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_709	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_709	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_709	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_709	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_709	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_709	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_709	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_709	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_709	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_709	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_709	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_709	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_709	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_709	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_709	CCC(CCCC)CO	C104767
PUBCHEM_709	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_709	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_709	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_709	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_709	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_709	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_709	Oc1cccc2cccnc12	C148243
PUBCHEM_709	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_709	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_709	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_709	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_709	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_709	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_709	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_709	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_709	Cc1cc2cccnc2cc1	C91623
PUBCHEM_709	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_709	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_709	c1c2c(ccc1)cccc2	C91203
PUBCHEM_709	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_709	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_709	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_709	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_709	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_709	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_709	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_709	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_709	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_709	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_709	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_709	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_709	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_709	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_709	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_709	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_709	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_709	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_709	C1C(c2ccccc2)O1	C96093
PUBCHEM_709	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_709	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_709	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_709	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_709	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_709	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_709	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_709	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_709	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_709	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_709	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_709	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_709	n1cccc2c1cccc2	C91225
PUBCHEM_709	Oc1c(C)cccc1	C95487
PUBCHEM_709	c1ccccc1C(=O)C	C98862
PUBCHEM_709	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_709	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_709	CCNc1cc(C)ccc1	C102272
PUBCHEM_709	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_709	Oc1ccc(C)cc1	C106445
PUBCHEM_709	Nc1ccc(C)cc1	C106490
PUBCHEM_709	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_709	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_709	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_709	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_709	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_709	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_709	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_709	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_709	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_709	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_709	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_709	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_709	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_709	c1(CCCC)ccccc1	C104518
PUBCHEM_709	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_709	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_709	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_709	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_709	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_709	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_709	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_709	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_709	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_709	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_709	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_709	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_709	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_709	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_709	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_709	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_709	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_709	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_709	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_709	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_709	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_709	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_709	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_709	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_709	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_709	Cc1ccccc1Cl	C95498
PUBCHEM_709	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_709	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_709	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_709	Oc1c(cccc1C)C	C576261
PUBCHEM_709	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_709	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_709	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_709	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_709	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_709	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_709	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_709	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_709	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_709	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_709	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_709	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_709	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_709	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_709	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_709	Cc1ccc(Cl)cc1	C106434
PUBCHEM_709	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_709	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_709	Nc1cc(C)ccc1N	C496720
PUBCHEM_709	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_709	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_709	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_709	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_709	C(C)(C)(OOC(C)(C)C)CCC(C)(C)OOC(C)(C)C	C78637
PUBCHEM_709	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_709	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_709	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_709	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_709	O=C(O)C(CCCC)CC	C149575
PUBCHEM_709	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_709	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_709	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_709	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_709	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_709	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_709	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_709	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_709	Nc1c(cccc1)C	C95534
PUBCHEM_709	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_709	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_709	Nc1c(cccc1C)C	C87627
PUBCHEM_709	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_709	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_709	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_709	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_709	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_709	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_709	N#Cc1cnccc1	C100549
PUBCHEM_709	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_709	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_709	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_709	OC(CC(C)C)C	C108112
PUBCHEM_709	Nc1cccc(C)c1	C108441
PUBCHEM_709	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_709	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_709	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_709	OC(C#CC(O)(C)CC(C)C)(C)CC(C)C	C126863
PUBCHEM_709	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_709	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_709	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_709	Nc1c(CC)cccc1CC	C579668
PUBCHEM_709	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_709	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_709	Nc1cccc(C)c1N	C2687254
PUBCHEM_709	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_709	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_709	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_709	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_709	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_709	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_709	O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C	C27178161
PUBCHEM_709	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_709	O=C(OCCCCCC(C)C)C=C	C29590429
PUBCHEM_709	O=C(OCCCCCCC(C)C)CCCCC(=O)OCCCCCCC(C)C	C33703081
PUBCHEM_709	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_709	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_709	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_709	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_709	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_709	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_709	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_709	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_709	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_709	O=Cc1ccccc1C=O	C643798
PUBCHEM_709	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_709	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_709	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_709	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_709	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_709	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_709	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_709	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_709	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_709	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_709	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_709	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_709	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_709	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_709	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_709	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_709	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_709	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_709	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_709	CCCc1ccccc1	C103651
PUBCHEM_709	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_709	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_709	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_709	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_709	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_709	CC(C)(C)c1ccccc1	C98066
PUBCHEM_709	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_709	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_709	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_709	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_709	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_709	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_709	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_709	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_709	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_709	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_709	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_709	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_709	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_709	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_709	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_709	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_709	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_709	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_709	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_709	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_709	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_709	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_709	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_709	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_709	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_709	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_709	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_709	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_709	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_709	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_709	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_709	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_709	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_709	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_709	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_709	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_709	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_709	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_709	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_709	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_709	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_709	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_709	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_709	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_709	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_709	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_709	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_709	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_709	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_709	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_709	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_709	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_709	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_709	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_709	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_709	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_709	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_709	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_709	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_709	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_709	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_709	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_709	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_709	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_709	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_709	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_709	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_709	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_709	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_709	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_709	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_709	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_709	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_709	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_709	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_709	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_709	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_709	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_709	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_709	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_709	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_709	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_709	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_709	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_709	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_709	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_709	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_709	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_709	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_709	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_709	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_709	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_709	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_709	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_709	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_709	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_709	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_709	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_709	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_709	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_709	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_709	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_709	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_709	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_709	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_709	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_709	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_709	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_709	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_709	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_709	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_709	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_709	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_709	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_709	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_709	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_709	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_709	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_709	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_709	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_709	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_709	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_709	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_709	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_709	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_709	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_709	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_709	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_709	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_709	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_709	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_709	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_709	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_709	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_709	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_709	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_709	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_709	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
PUBCHEM_709	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_709	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_709	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_709	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_709	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_709	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_709	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_709	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_709	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_709	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_709	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_709	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_709	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_709	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_709	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_709	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_709	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_709	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_709	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_709	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_709	O=C(OCC)c1ccccc1	C93890
PUBCHEM_709	NCc1cccc(CN)c1	C1477550
PUBCHEM_709	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_709	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_709	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_709	CC(=O)CCC(C)C	C110123
PUBCHEM_709	n1cc(C)ccc1	C108996
PUBCHEM_709	CC(=O)CC(C)C	C108101
PUBCHEM_709	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_709	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_709	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_709	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_709	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_709	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_709	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_709	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_709	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_709	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_709	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_709	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_709	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_709	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_709	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_709	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_709	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_709	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_709	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_709	N#Cc1ccccc1	C100470
PUBCHEM_709	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_709	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_709	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_709	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_709	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_709	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_709	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_709	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_709	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_709	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_709	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_709	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_709	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_709	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_709	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_709	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_709	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_709	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_709	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_709	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_709	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_709	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_709	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_709	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_709	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_709	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_709	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_709	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_709	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_709	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_709	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_709	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_709	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_709	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_709	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_709	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_709	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_709	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_709	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_709	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_709	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_709	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_709	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_709	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_709	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_709	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_709	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_709	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_709	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_709	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_709	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_709	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_709	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_709	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_709	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_709	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_709	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_709	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_709	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_709	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_709	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_709	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_709	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_709	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_709	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_709	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_709	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_709	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_709	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_709	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_709	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_709	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_709	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_709	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_709	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_709	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_709	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_709	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_709	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_709	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_709	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_709	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_709	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_709	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_709	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_709	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_709	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_709	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_709	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_709	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_709	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_709	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_709	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_709	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_709	O=C1CC(C)(C)NC(C)(C)C1	C826368
PUBCHEM_709	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_709	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_709	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_709	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_709	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_709	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_709	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_709	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_709	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_709	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_709	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_709	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_709	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_709	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_709	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_709	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_709	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_709	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_709	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_709	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_709	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_709	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_709	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_709	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_709	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_709	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_709	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_709	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_709	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_709	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_709	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_709	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_709	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_709	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_709	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_709	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_709	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_709	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_709	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_709	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_709	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_709	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_709	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_709	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_709	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_709	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_709	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_709	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_709	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_709	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_709	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_709	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_709	O=C([O-])c1cnccc1.[Na+]	C54864
PUBCHEM_709	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_709	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_709	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_709	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_709	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_709	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_709	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_709	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_709	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_709	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_709	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_709	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_709	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_709	CC(C)CC(=O)OC(CCC=C(C)C)(C)C=C	C1118270
PUBCHEM_709	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_709	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_709	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_709	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_709	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_709	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_709	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_709	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_709	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_709	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_709	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_709	CCCCCCCCCC(C)C=O	C110418
PUBCHEM_709	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_709	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_710	O=C1C(C(=O)OC(=C1)C)C(=O)C	C520456
PUBCHEM_710	O=C([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N)OC	C22839470
PUBCHEM_710	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_710	c1cccc(c1)C(C(=O)c1ccccc1)O	C119539
PUBCHEM_710	CC(=O)OCc1ccccc1	C140114
PUBCHEM_710	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_710	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_710	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_710	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_710	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_710	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_710	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_710	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_710	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_710	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_710	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_710	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_710	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_710	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_710	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_710	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_710	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_710	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_710	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_710	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_710	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_710	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_710	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_710	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_710	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_710	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_710	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_710	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_710	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_710	c1cccc2[nH]ccc12	C120729
PUBCHEM_710	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_710	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_710	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_710	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_710	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_710	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_710	C=Cc1ccc(cc1)C	C622979
PUBCHEM_710	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_710	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_710	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_710	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_710	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_710	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_710	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_710	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_710	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_710	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_710	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_710	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_710	Nc1ccccc1C.Cl	C636215
PUBCHEM_710	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_710	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_710	O=CCc1ccccc1	C122781
PUBCHEM_710	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_710	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_710	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_710	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_710	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_710	O=Cc1ccccc1O	C90028
PUBCHEM_710	Oc1cccc2ccccc12	C90153
PUBCHEM_710	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_710	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_710	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_710	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_710	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_710	Oc1ccc(CC)cc1	C123079
PUBCHEM_710	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_710	Oc1ccc(CCC)cc1	C645567
PUBCHEM_710	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_710	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_710	C(=Cc1ccccc1)(c1ccccc1)c1ccccc1	C58720
PUBCHEM_710	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_710	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_710	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_710	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_710	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_710	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_710	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_710	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_710	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_710	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_710	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_710	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_710	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_710	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_710	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_710	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_710	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_710	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_710	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_710	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_710	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_710	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_710	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_710	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_710	c1(c(CC)cccc1)O	C90006
PUBCHEM_710	c1c(O)cccc1CC	C620177
PUBCHEM_710	C(=O)(/C=C/c1ccccc1)O	C140103
PUBCHEM_710	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_710	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_710	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_710	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_710	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_710	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_710	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_710	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_710	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_710	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_710	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_710	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_710	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_710	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_710	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_710	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_710	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_710	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_710	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_710	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_710	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_710	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_710	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_710	Cc1cc(O)ccc1	C108394
PUBCHEM_710	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_710	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_710	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_710	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_710	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_710	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_710	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_710	O=C/C=C/c1ccccc1	C14371109
PUBCHEM_710	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_710	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_710	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_710	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_710	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_710	Cc1c(C)cccc1O	C526750
PUBCHEM_710	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_710	C=Cc1ccccc1C=C	C1321740
PUBCHEM_710	O=C1C(C/C=C/CCCCCCCCC)CC(=O)O1	C19780111
PUBCHEM_710	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_710	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_710	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_710	C(CC)(C=O)CCCC	C123057
PUBCHEM_710	OCC(C(O)CCC)CC	C94962
PUBCHEM_710	O=C(OCC(CCCC)CC)C=C	C103117
PUBCHEM_710	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
PUBCHEM_710	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_710	O=C(OCCCCCC)c1ccccc1	C6789884
PUBCHEM_710	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_710	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_710	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_710	O=C(C)C=Cc1ccccc1	C122576
PUBCHEM_710	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_710	C(=O)(OCC)C1OC1c1ccccc1	C121391
PUBCHEM_710	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_710	CCCCC(CC)COS(=O)(=O)[O-].[Na+]	C126921
PUBCHEM_710	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_710	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_710	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_710	c12ccccc1CCCC2	C119642
PUBCHEM_710	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_710	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_710	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_710	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_710	Cc1cccc(C)c1	C108383
PUBCHEM_710	OCCc1ccccc1	C60128
PUBCHEM_710	O=C(O)c1ccccc1O	C69727
PUBCHEM_710	O=C(OCCCC)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)OCCCC	C77907
PUBCHEM_710	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_710	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_710	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_710	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_710	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_710	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_710	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_710	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_710	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_710	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_710	O=C(C)OCC(CC)CCCC	C103093
PUBCHEM_710	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_710	Oc1ccc2ccccc2c1	C135193
PUBCHEM_710	O=C(OCC(CC)CCCC)/C=C\C(=O)OCC(CC)CCCC	C142165
PUBCHEM_710	O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC	C298077
PUBCHEM_710	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_710	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_710	Nc1cccc(C)c1C	C1300738
PUBCHEM_710	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_710	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_710	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_710	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_710	O=C([O-])C(CC)CCCC.[K+]	C3164850
PUBCHEM_710	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_710	O=C(CS)OCC(CC)CCCC	C7659861
PUBCHEM_710	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_710	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_710	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_710	Nc1c(C)cccc1CC	C24549062
PUBCHEM_710	Clc1cccc(C)c1	C25168052
PUBCHEM_710	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_710	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_710	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_710	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_710	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_710	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_710	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_710	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_710	OC(CCCC(C)C)(C)CC	C78693
PUBCHEM_710	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_710	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_710	O=C(OCc1ccccc1)c1ccccc1	C120514
PUBCHEM_710	CCCCCC(=Cc1ccccc1)C=O	C122407
PUBCHEM_710	OC(CC(C)CC(C)C)CC(C)C	C123171
PUBCHEM_710	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_710	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_710	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_710	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_710	OCC(CCC)CCCCC	C10042598
PUBCHEM_710	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_710	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_710	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_710	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_710	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	C120569
PUBCHEM_710	CC(=C)C1CC=C(C)CC1	C138863
PUBCHEM_710	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_710	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_710	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_710	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_710	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_710	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_710	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_710	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_710	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_710	O=C(OCC)C1CC(=O)/C(=C(/O)\C2CC2)/C(=O)C1	C95266403
PUBCHEM_710	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_710	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_710	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_710	c12ncnc1c(NCc1ccccc1)[nH]cn2	C1214397
PUBCHEM_710	O=C(SCCCCCCCC)Oc1cc(Cl)nnc1c1ccccc1	C55512339
PUBCHEM_710	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_710	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_710	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_710	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_710	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_710	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_710	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_710	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_710	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_710	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_710	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_710	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C8001545
PUBCHEM_710	N#C/C(=N\OP(=S)(OCC)OCC)/c1ccccc1	C14816183
PUBCHEM_710	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_710	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_710	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_710	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_710	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_710	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_710	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_710	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_710	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_710	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_710	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_710	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_710	O=C(c1ccccc1)O[Sn](CCCC)(CCCC)CCCC	C4342363
PUBCHEM_710	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_710	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_710	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_710	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_710	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_710	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_710	OCC(CCCCCCCC)CCCCCCCCCC	C5333426
PUBCHEM_710	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_710	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_710	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_710	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_710	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_710	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_710	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_710	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_710	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_710	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_710	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_710	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_710	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_710	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_710	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_710	O=C(OC(C)(C)Cc1ccccc1)CCC	C10094345
PUBCHEM_710	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_710	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_710	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_710	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_710	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_710	O=C(c1ccccc1O)C	C118934
PUBCHEM_710	O=C(CBr)OCc1ccccc1	C5437456
PUBCHEM_710	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_710	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_710	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_710	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_710	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_710	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_710	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_710	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_710	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_710	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_710	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_710	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_710	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_710	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_710	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_710	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_710	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_710	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_710	[O-][N+](=O)/C(=C/c1ccccc1)/C	C705602
PUBCHEM_710	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_710	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_710	O=C(CC(=O)c1ccccc1)c1ccccc1	C120467
PUBCHEM_710	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_710	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_710	OCC(CCCCCC)CCCCCCCC	C2425776
PUBCHEM_710	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_710	Oc1ccccc1CN(C)C	C120650
PUBCHEM_710	O=C1OC(CCCCCC)(C)CC1	C7011838
PUBCHEM_710	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_710	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_710	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_710	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_710	O=C1C(=CC[C@@H](C(=C)C)C1)C	C6485401
PUBCHEM_710	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_710	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_710	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_710	O=C(C)OC(CCCC(C)C)(C)CC	C20780487
PUBCHEM_710	OCC=Cc1ccccc1	C104541
PUBCHEM_710	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_710	O=S(=O)(OC(CCC(CC)CCCC)CC(C)C)[O-].[Na+]	C139888
PUBCHEM_710	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_710	OCC[C@@H](C)CCC=C(C)C	C7540514
PUBCHEM_710	O=C(C)OC(C)c1ccccc1	C93925
PUBCHEM_710	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_710	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_710	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_710	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_710	N#Cc1c(O)cccc1	C611201
PUBCHEM_710	O=C(OCc1ccccc1)C=Cc1ccccc1	C103413
PUBCHEM_710	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_710	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_710	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_710	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_710	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_710	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_710	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_710	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_710	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_710	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_710	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_710	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_710	O=C(C)OC(C)(C)Cc1ccccc1	C151053
PUBCHEM_710	c1(Cc2ccccc2)ccccc1	C101815
PUBCHEM_710	OCCOCC(CC)CCCC	C1559359
PUBCHEM_710	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_710	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_710	c12ccccc1CC=C2	C95136
PUBCHEM_710	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_710	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_710	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_710	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_710	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_710	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_710	OC(C)(C)CCCC(C)CC=O	C107755
PUBCHEM_710	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_710	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_710	COc1ccc(CCC)cc1	C104450
PUBCHEM_710	c1(CCCc2ccccc2)ccccn1	C2110181
PUBCHEM_710	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_710	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_710	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_710	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_710	OC(CO)c1ccccc1	C93561
PUBCHEM_710	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_710	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_710	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_710	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_710	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_710	O=C(c1ccccc1)Cc1ccccc1	C451401
PUBCHEM_710	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_710	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_710	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_710	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_710	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_710	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_710	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_710	O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mg+2]	C553708
PUBCHEM_710	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_710	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_710	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_710	OCC(CCCC)CCCCCC	C3913028
PUBCHEM_710	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_710	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_710	O=C([O-])C(CC)CCCC.O=C([O-])C(CC)CCCC.[Ba+2]	C2457014
PUBCHEM_710	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_710	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_710	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_710	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_710	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_710	O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC	C22047490
PUBCHEM_710	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_710	O=C(c1ccccc1)OCCC(C)C	C94462
PUBCHEM_710	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_710	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_710	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_710	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_710	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_710	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_710	O=C(OCCc1ccccc1)c1ccccc1	C94473
PUBCHEM_710	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_710	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_710	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_710	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_710	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_710	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_710	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C63449412
PUBCHEM_710	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_710	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_710	O=C(C1CCCCC1)c1ccccc1	C712505
PUBCHEM_710	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_710	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_710	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_710	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_710	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_710	Sc1ccc(C)cc1	C106456
PUBCHEM_710	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_710	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_710	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_710	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_710	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_710	O=C(CCCCCC)c1ccccc1	C1671756
PUBCHEM_710	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_710	O=C1CCC(CCC)CC1	C40649363
PUBCHEM_710	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_710	O=C(c1ccccc1)C1CCC1	C5407987
PUBCHEM_710	O=C(c1ccccc1)C(C)C	C611701
PUBCHEM_710	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_710	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_710	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_710	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_710	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_710	O=C(Oc1ccccc1)c1ccccc1	C93992
PUBCHEM_710	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_710	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_710	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_710	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_710	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_710	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_710	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_710	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_710	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_710	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_710	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_710	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_710	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_710	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_710	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_710	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_710	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_710	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_710	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_710	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_710	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_710	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_710	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_710	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_710	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_710	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_710	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_710	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_710	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_710	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_710	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_710	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_710	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_710	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_710	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_710	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_710	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_710	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_710	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_710	C[n+]1c(c2ccccc2)cc(c2ccccc2)n1C.O=S(=O)([O-])OC	C43222486
PUBCHEM_710	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_710	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_710	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_710	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_710	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_710	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_710	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_710	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_710	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_710	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_710	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_710	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_710	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_710	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_710	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_710	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_710	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_710	O=C1C(=C(O)CC(CC(SCC)C)C1)/C(=N/OCC)/CCC	C74051802
PUBCHEM_710	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_710	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_710	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_710	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_710	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_710	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_710	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_710	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_710	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_710	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_710	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_710	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_710	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_710	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_710	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_710	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_710	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_710	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_710	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_710	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_710	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_710	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_710	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_710	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_710	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_710	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_710	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_710	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_710	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_710	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_710	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_710	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_710	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_710	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_710	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_710	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_710	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_710	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_710	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_710	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_710	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_710	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_710	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_710	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_710	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_710	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_710	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_710	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_710	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_710	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_710	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_710	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_710	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_710	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_710	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_710	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_710	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_710	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_710	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_710	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_710	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_710	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_710	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_710	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_710	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_710	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_710	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_710	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_710	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_710	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_710	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_710	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_710	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_710	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_710	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_710	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_710	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_710	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_710	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_710	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_710	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_710	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_710	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_710	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_710	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_710	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_710	c1(ccccc1)C(=O)[O-].[Na+]	C532321
PUBCHEM_710	c1coc2c1cccc2	C271896
PUBCHEM_710	OC(=O)c1ccccc1	C65850
PUBCHEM_710	ClC(c1ccccc1)(Cl)Cl	C98077
PUBCHEM_710	OCc1ccccc1	C100516
PUBCHEM_710	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_710	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_710	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_710	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_710	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_710	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_710	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_710	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_710	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_710	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_710	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_710	O=C(c1ccccc1)CCl	C532274
PUBCHEM_710	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_710	OC(CC(=O)O)(CC(=O)O)C(=O)O	C77929
PUBCHEM_710	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_710	Nc1cc(ccc1OC)C	C120718
PUBCHEM_710	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_710	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_710	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_710	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_710	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_710	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_710	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_710	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_710	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_710	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_710	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_710	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	C147240
PUBCHEM_710	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_710	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_710	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_710	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_710	CCC(CCCC)CO	C104767
PUBCHEM_710	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	C103231
PUBCHEM_710	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_710	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_710	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_710	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_710	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_710	Oc1cccc2cccnc12	C148243
PUBCHEM_710	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_710	O=C(c1ccncc1)NN	C54853
PUBCHEM_710	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_710	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_710	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_710	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_710	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_710	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_710	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_710	Cc1cc2cccnc2cc1	C91623
PUBCHEM_710	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_710	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_710	c1c2c(ccc1)cccc2	C91203
PUBCHEM_710	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_710	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_710	CN1CCC[C@H]1c1cnccc1	C54115
PUBCHEM_710	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_710	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_710	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_710	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_710	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_710	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_710	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_710	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_710	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_710	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_710	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_710	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_710	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_710	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_710	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_710	C1C(c2ccccc2)O1	C96093
PUBCHEM_710	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_710	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_710	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_710	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_710	O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	C78422
PUBCHEM_710	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_710	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_710	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_710	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_710	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_710	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_710	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_710	n1cccc2c1cccc2	C91225
PUBCHEM_710	Oc1c(C)cccc1	C95487
PUBCHEM_710	c1ccccc1C(=O)C	C98862
PUBCHEM_710	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_710	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_710	CCNc1cc(C)ccc1	C102272
PUBCHEM_710	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_710	Oc1ccc(C)cc1	C106445
PUBCHEM_710	Nc1ccc(C)cc1	C106490
PUBCHEM_710	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_710	c1ccccc1C(=O)c1ccccc1	C119619
PUBCHEM_710	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_710	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_710	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_710	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_710	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_710	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_710	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_710	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_710	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_710	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_710	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_710	c1(CCCC)ccccc1	C104518
PUBCHEM_710	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_710	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_710	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_710	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_710	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_710	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_710	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_710	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_710	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_710	O=S(=O)(C(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC)[O-].[Na+]	C577117
PUBCHEM_710	CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O	C114078
PUBCHEM_710	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_710	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_710	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_710	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_710	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_710	C(=O)(O)C(CCC)CCC	C99661
PUBCHEM_710	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_710	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_710	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_710	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_710	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_710	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_710	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_710	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_710	Cc1ccccc1Cl	C95498
PUBCHEM_710	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_710	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_710	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_710	Oc1c(cccc1C)C	C576261
PUBCHEM_710	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_710	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_710	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_710	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_710	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_710	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_710	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_710	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_710	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_710	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_710	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_710	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_710	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_710	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_710	C(=O)(OOC(C)(C)C)c1ccccc1	C614459
PUBCHEM_710	Cc1ccc(Cl)cc1	C106434
PUBCHEM_710	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_710	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_710	Nc1cc(C)ccc1N	C496720
PUBCHEM_710	c1(ccccc1)C(Cl)Cl	C98873
PUBCHEM_710	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_710	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_710	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_710	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_710	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_710	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_710	O=C(O)C(CCCC)CC	C149575
PUBCHEM_710	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_710	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_710	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_710	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_710	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_710	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_710	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_710	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_710	Nc1c(cccc1)C	C95534
PUBCHEM_710	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_710	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_710	Nc1c(cccc1C)C	C87627
PUBCHEM_710	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_710	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_710	O=C(C(CC)CCCC)OCCOCCOCCOC(=O)C(CC)CCCC	C94280
PUBCHEM_710	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_710	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_710	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_710	CCCCCC/C(=C\c1ccccc1)/C=O	C101860
PUBCHEM_710	O=C(OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC	C103242
PUBCHEM_710	OCCC(C)CCC=C(C)C	C106229
PUBCHEM_710	Nc1cccc(C)c1	C108441
PUBCHEM_710	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_710	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	C120558
PUBCHEM_710	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_710	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_710	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_710	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_710	Nc1c(CC)cccc1CC	C579668
PUBCHEM_710	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_710	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_710	Nc1cccc(C)c1N	C2687254
PUBCHEM_710	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_710	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_710	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_710	O=C(c1ccccc1)OC(C)COCC(C)OC(=O)c1ccccc1	C27138314
PUBCHEM_710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_710	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_710	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_710	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_710	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_710	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_710	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_710	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_710	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_710	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_710	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_710	O=Cc1ccccc1C=O	C643798
PUBCHEM_710	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_710	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_710	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_710	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_710	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_710	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_710	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_710	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_710	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_710	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_710	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_710	O=C(OCCCC)c1ccccc1	C136607
PUBCHEM_710	O=C(OCC)CC(CC(=O)OCC)(O)C(=O)OCC	C77930
PUBCHEM_710	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_710	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_710	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_710	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_710	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_710	O=C(Nc1ccccc1)c1c(I)cccc1	C15310017
PUBCHEM_710	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	C35256850
PUBCHEM_710	CCCc1ccccc1	C103651
PUBCHEM_710	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_710	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_710	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_710	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_710	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_710	CC(C)(C)c1ccccc1	C98066
PUBCHEM_710	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_710	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_710	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_710	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_710	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_710	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_710	O=c1c2nc(OCC)ccc2[nH]cc1C(=O)NCc1ccccc1	C220860504
PUBCHEM_710	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_710	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_710	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_710	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_710	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_710	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_710	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_710	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_710	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_710	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_710	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_710	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_710	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_710	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_710	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_710	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_710	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_710	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_710	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_710	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_710	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_710	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_710	O=C(c1cc2ccoc2cn1)N[C@@H]1C2CCN(C1)CC2	C478149530
PUBCHEM_710	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_710	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_710	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_710	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_710	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_710	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_710	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_710	Fc1ccc(F)cc1c1c(ocn1)c1ccc2n(c1)c(nn2)C(C)C	C668981020
PUBCHEM_710	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_710	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_710	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_710	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_710	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_710	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_710	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_710	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_710	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_710	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_710	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_710	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_710	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_710	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_710	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_710	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_710	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_710	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_710	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_710	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_710	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_710	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
PUBCHEM_710	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_710	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_710	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_710	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_710	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_710	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_710	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_710	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_710	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_710	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_710	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_710	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_710	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_710	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_710	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_710	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_710	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_710	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_710	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_710	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_710	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_710	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_710	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_710	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_710	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_710	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_710	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_710	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_710	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_710	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_710	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_710	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_710	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_710	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_710	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_710	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_710	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_710	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_710	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_710	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_710	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(OCCOC)ncc2n1CC(=O)Nc1ncc(Cl)cc1.OC(=O)C	CNOCAS47385
PUBCHEM_710	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_710	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_710	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_710	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_710	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_710	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_710	O=C(CCCCC(=O)OCc1ccccc1)OCC(CC)CCCC	C58394642
PUBCHEM_710	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_710	O=C(OCCCCCC)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	C82469792
PUBCHEM_710	O=C(c1ccccc1)OCCCCCOC(=O)c1ccccc1	C6624733
PUBCHEM_710	O=C(c1ccccc1)OCCCCCCOC(=O)c1ccccc1	C22915737
PUBCHEM_710	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_710	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_710	O=C1N(C)[C@H](c2cnccc2)CC1	C486566
PUBCHEM_710	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_710	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_710	CCCCCCCCCCCCc1ccccc1	C123013
PUBCHEM_710	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_710	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_710	OC(C(CC)CCCC)C#C	C5877429
PUBCHEM_710	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_710	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_710	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_710	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_710	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_710	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_710	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_710	O=C(N1CCC(/C=C(\c2ccccc2)/c2ccccc2)CC1)CCCCCCCCc1cnccc1	C107071669
PUBCHEM_710	O=C(OCC)C(CC(=O)OCC)(OC(=O)C)CC(=O)OCC	C77894
PUBCHEM_710	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_710	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_710	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_710	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_710	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_710	O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC	C122623
PUBCHEM_710	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_710	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_710	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_710	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_710	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_710	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_710	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_710	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_710	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_710	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_710	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_710	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_710	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_710	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_710	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_710	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_710	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_710	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_710	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_710	[O-]C(=O)C1CC(=O)/C(=C(\[O-])/CC)/C(=O)C1.[Ca+2]	C127277536
PUBCHEM_710	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_710	O=CCC(C)CCC=C(C)C	C106230
PUBCHEM_710	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_710	O=C(OCC)c1ccccc1	C93890
PUBCHEM_710	NCc1cccc(CN)c1	C1477550
PUBCHEM_710	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_710	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_710	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_710	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_710	Nc1nc(nc(n1)N)c1ccccc1	C91769
PUBCHEM_710	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_710	C[C@H](C/C=C/C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C	C59865133
PUBCHEM_710	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_710	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_710	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_710	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_710	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_710	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_710	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_710	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_710	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
PUBCHEM_710	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_710	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_710	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_710	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_710	Nc1c2c(nc(n1)N)nc(c(n2)c1ccccc1)N	C396010
PUBCHEM_710	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_710	N#Cc1ccccc1	C100470
PUBCHEM_710	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_710	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_710	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_710	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_710	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_710	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_710	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_710	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_710	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_710	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_710	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_710	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_710	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_710	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_710	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_710	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_710	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_710	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_710	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_710	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_710	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_710	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_710	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_710	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_710	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_710	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_710	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_710	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_710	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_710	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_710	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_710	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_710	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_710	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_710	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_710	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_710	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_710	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_710	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_710	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_710	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_710	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_710	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_710	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_710	ClC(=O)C(CC)CCCC	C760678
PUBCHEM_710	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_710	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_710	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_710	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_710	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_710	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_710	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_710	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_710	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_710	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_710	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_710	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_710	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_710	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_710	O=C(OC(C)C)/C=C(\C)/C=C/C[C@@H](C)CCCC(OC)(C)C	C65733166
PUBCHEM_710	O=C(OCC)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C	C65733188
PUBCHEM_710	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_710	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_710	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_710	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_710	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_710	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_710	O=C(C(OC)(c1ccccc1)OC)c1ccccc1	C24650428
PUBCHEM_710	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_710	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_710	c12ncnc(NCc3ccccc3)c1ncn2C1OCCCC1	C2312734
PUBCHEM_710	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_710	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_710	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_710	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_710	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_710	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_710	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_710	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_710	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_710	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_710	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_710	O=C(O)c1ccc([Hg]Cl)cc1	C59858
PUBCHEM_710	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_710	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_710	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_710	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_710	C[N+](CCCCCCCCCCCC)(C)Cc1ccccc1.[Cl-]	C139071
PUBCHEM_710	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_710	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_710	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_710	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_710	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_710	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_710	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_710	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_710	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_710	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_710	C[N+](Cc1ccccc1)(C)CCCCCCCCCCCCCCCC.[Cl-]	C122189
PUBCHEM_710	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_710	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_710	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_710	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_710	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_710	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_710	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_710	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_710	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_710	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_710	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_710	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_710	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_710	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_710	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_710	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_710	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_710	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_710	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_710	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_710	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_710	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_710	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_710	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_710	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_710	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_710	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_710	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_710	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_710	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_710	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_710	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_710	N#CC1(N=NC2(C#N)CCCCC2)CCCCC1	C2094986
PUBCHEM_710	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_710	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_710	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_710	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_710	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_710	O=C(OCC)/C(=C(\c1ccccc1)/c1ccccc1)/C#N	C5232995
PUBCHEM_710	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_710	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_710	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_710	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_710	O=C(O)C(CCCCCC)CCCCCCCC	C25354976
PUBCHEM_710	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_710	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_710	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_710	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_710	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_710	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_710	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_710	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_710	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_710	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_710	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_710	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_710	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_710	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_710	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_710	O=C(CC)OCCC(C)CCC=C(C)C	C141140
PUBCHEM_710	O=C(OC(C=C)(C)CCC=C(C)C)c1ccccc1	C126647
PUBCHEM_710	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_710	NNC(=O)OCc1ccccc1	C5331431
PUBCHEM_710	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_710	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_710	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_710	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_710	O=c1c(c2ccccc2)nnc(C)n1N	C41394052
PUBCHEM_710	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_710	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_710	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_711	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_711	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_711	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_711	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_711	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_711	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_711	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_711	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_711	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_711	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_711	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_711	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_711	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_711	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_711	O=C(C)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C127479
PUBCHEM_711	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_711	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_711	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_711	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_711	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_711	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_711	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_711	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_711	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_711	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_711	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_711	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_711	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_711	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_711	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_711	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_711	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_711	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_711	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_711	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_711	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_711	CC1(CCCC(=C1C=CC(=O)C)C)C	C14901076
PUBCHEM_711	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_711	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_711	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_711	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_711	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_711	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_711	O=C(O)C(CC)(C)CCC(C)C	C26896208
PUBCHEM_711	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_711	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_711	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_711	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_711	OCCC(C)CC(C)(C)C	C3452979
PUBCHEM_711	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_711	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_711	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_711	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_711	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_711	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_711	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_711	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_711	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_711	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_711	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_711	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_711	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_711	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_711	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_711	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_711	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_711	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_711	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_711	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_711	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_711	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_711	O=C(C)OCCC(C)CC(C)(C)C	C58430947
PUBCHEM_711	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_711	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_711	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_711	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_711	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_711	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_711	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_711	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_711	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_711	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_711	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_711	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_711	O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Ca+2]	C27253334
PUBCHEM_711	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_711	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_711	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_711	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_711	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_711	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_711	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_711	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_711	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_711	O=C(c1ccccc1)C(C)(C)C	C938169
PUBCHEM_711	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_711	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_711	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_711	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_711	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_711	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_711	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_711	Nn1c(=O)c(nnc1SC)C(C)(C)C	C21087649
PUBCHEM_711	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_711	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_711	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_711	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_711	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_711	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_711	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_711	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_711	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_711	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_711	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_711	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_711	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_711	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_711	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_711	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_711	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_711	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_711	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_711	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_711	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_711	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_711	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_711	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_711	CC1(CC(=CC(=O)C1)C)C	C78591
PUBCHEM_711	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_711	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_711	O=C(O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	C302794
PUBCHEM_711	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_711	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_711	CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C/C(=C/CO)/C)/C	C68268
PUBCHEM_711	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_711	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_711	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_711	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_711	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_711	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_711	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_711	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_711	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_711	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_711	O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(=O)C(C)C	C6846500
PUBCHEM_711	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_711	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_711	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_711	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_711	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_711	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_711	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_711	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_711	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_711	CC(C)(C)c1ccccc1	C98066
PUBCHEM_711	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_711	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_711	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_711	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_711	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_711	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_711	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_711	NCC1(CCCCC1)Cc1[nH]c(=O)on1.Cl	CNOCAS47292
PUBCHEM_711	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_711	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_711	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_711	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_711	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_711	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_711	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_711	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_711	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_711	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_711	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_711	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_711	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_711	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_711	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_711	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_711	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_711	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_711	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_711	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_711	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_711	O=C(O)C(=O)C(C)(C)C	C815178
PUBCHEM_711	O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C	C15625895
PUBCHEM_711	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_711	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_711	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_711	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_711	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_711	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_711	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_711	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_711	O=C(c1ccccc1)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C	C68052233
PUBCHEM_711	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_711	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_711	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_711	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_711	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_711	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_711	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_711	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_711	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_711	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_711	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_711	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_711	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_711	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_711	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_712	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_712	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_712	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_712	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_712	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_712	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_712	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_712	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_712	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_712	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_712	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_712	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_712	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_712	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_712	CC1(c2ccccc2)C(O1)C(=O)OCC	C77838
PUBCHEM_712	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_712	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_712	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_712	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_712	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_712	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_712	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_712	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_712	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_712	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_712	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_712	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_712	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_712	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_712	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_712	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_712	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_712	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_712	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_712	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_712	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_712	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_712	Oc1cccc2ccccc12	C90153
PUBCHEM_712	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_712	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_712	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_712	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_712	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_712	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_712	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_712	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_712	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_712	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_712	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_712	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_712	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_712	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_712	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_712	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_712	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_712	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_712	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_712	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_712	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_712	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_712	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_712	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_712	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_712	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_712	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_712	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_712	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_712	O=C(C(c1ccccc1)c1ccccc1)N(C)C	C957517
PUBCHEM_712	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_712	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_712	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_712	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_712	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_712	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_712	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_712	Cc1c(C)cccc1O	C526750
PUBCHEM_712	C=Cc1ccccc1C=C	C1321740
PUBCHEM_712	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_712	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_712	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_712	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_712	c12ccccc1CCCC2	C119642
PUBCHEM_712	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_712	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_712	O=C(C)OC(C)(C)C1CC=C(C)CC1	C80262
PUBCHEM_712	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_712	O=C1C2C(CC=CC2)C(=O)N1	C85405
PUBCHEM_712	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_712	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_712	Oc1ccc2ccccc2c1	C135193
PUBCHEM_712	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_712	Nc1cccc(C)c1C	C1300738
PUBCHEM_712	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_712	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_712	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_712	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_712	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_712	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_712	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_712	CCC(=O)/C=C/C1C(=CCCC1(C)C)C	C1335462
PUBCHEM_712	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_712	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_712	[C@@H]12CC=C(C)[C@@H](C1(C)C)C2	C7785264
PUBCHEM_712	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_712	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_712	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_712	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_712	O=C(C)OCCC(C)C(CC)CC	C108419336
PUBCHEM_712	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_712	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_712	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_712	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_712	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_712	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_712	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_712	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_712	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_712	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_712	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_712	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_712	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_712	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_712	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_712	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_712	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_712	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_712	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_712	O=C(/C=C/C1C(=CCCC1(C)C)C)C	C127413
PUBCHEM_712	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_712	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_712	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_712	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_712	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_712	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_712	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_712	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_712	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_712	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_712	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_712	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_712	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_712	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_712	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_712	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_712	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_712	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_712	O=C(OCC)C1=NOC(c2ccccc2)(c2ccccc2)C1	C163520330
PUBCHEM_712	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_712	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_712	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_712	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_712	O=C1CCC(C2CCCCC2)CC1	C92682
PUBCHEM_712	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_712	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_712	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_712	OC(C)(C)C1CC=C(C)CC1	C8000417
PUBCHEM_712	OCc1cnc(C)c(O)c1CO.Cl	C58560
PUBCHEM_712	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_712	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_712	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_712	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_712	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_712	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_712	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_712	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_712	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_712	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_712	CCC(c1ccccc1)CCC	C4468422
PUBCHEM_712	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_712	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_712	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_712	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_712	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_712	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_712	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_712	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_712	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_712	O=C1C(C(CC)C)CCCC1	C14765301
PUBCHEM_712	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_712	c12ccccc1CC=C2	C95136
PUBCHEM_712	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_712	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_712	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_712	O[C@](CCC=C(C)C)(C)[C@H]1CCC(=CC1)C	C23089261
PUBCHEM_712	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_712	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_712	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_712	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_712	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_712	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_712	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_712	CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(c2ccccc2)c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]	C134523038
PUBCHEM_712	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_712	O=C1CCC(C(C)(C)C)CC1	C98533
PUBCHEM_712	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_712	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_712	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_712	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_712	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_712	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_712	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_712	O=C(CC)OC(C)(C)C1CC=C(C)CC1	C80273
PUBCHEM_712	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_712	O=C1CCC(C(CC)(C)C)CC1	C16587716
PUBCHEM_712	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_712	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_712	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_712	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_712	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_712	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_712	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_712	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_712	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_712	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_712	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_712	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_712	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_712	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_712	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_712	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_712	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)CC=CC2	C2425061
PUBCHEM_712	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	C133062
PUBCHEM_712	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_712	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_712	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_712	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_712	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_712	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_712	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_712	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_712	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_712	CC(=CC1C(C)(C)C1C(=O)OCc1coc(Cc2ccccc2)c1)C	C10453868
PUBCHEM_712	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_712	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_712	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_712	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_712	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1/C(=C/C[C@@H]2C[C@H](OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]1C)/[C@@]34O)C[C@]1(C=C[C@H](C)[C@H](O1)[C@@H](C)CC)O2)/C	C71751412
PUBCHEM_712	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_712	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_712	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_712	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_712	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_712	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_712	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_712	OC(=O)c1cc(cnc1C1=NC(C(=O)N1)(C)C(C)C)CC	C81335775
PUBCHEM_712	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_712	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_712	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_712	O=C(SC)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	C97886458
PUBCHEM_712	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_712	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_712	O=C(OC)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F	C117718602
PUBCHEM_712	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_712	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_712	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_712	O=C(O[C@@H]1CC(=O)C(=C1C)CC#C)[C@@H]1C(C)(C)[C@H]1C=C(C)C	C23031369
PUBCHEM_712	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_712	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_712	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_712	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_712	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_712	O=C1C2=C(CCCC2)C(=O)N1COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C	C7696120
PUBCHEM_712	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_712	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_712	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_712	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_712	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_712	O=C1C(=C(O)CC(C2CCOCC2)C1)C(=NOC/C=C/Cl)CC	C149979419
PUBCHEM_712	O=C(O)c1cc(C)cnc1C1=NC(=O)C(C(C)C)(C)N1	C104098488
PUBCHEM_712	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_712	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_712	O=C1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@]2(O)/C(=C/C=C/[C@H](C)[C@@H](/C(=C/C[C@@H]2C[C@H](O1)C[C@@]1(O[C@H]([C@@H](C)CC)[C@@H](C)C=C1)O2)/C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O2)[C@H](C)O1)/CO3)O.O=C([O-])c1ccccc1	C155569918
PUBCHEM_712	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_712	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_712	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_712	O=C1N(Nc2ccccc2)C(=N[C@]1(c1ccccc1)C)SC	C161326347
PUBCHEM_712	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_712	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_712	O=C1NC(=NC1(C)C(C)C)c1ncc(COC)cc1C(=O)O	C114311329
PUBCHEM_712	O=C1NC(=NC1(C)C(C)C)c1ncccc1C(=O)O	C81334341
PUBCHEM_712	O=C1O[C@H]2C[C@H](O[C@]3(O[C@H](CC)[C@@H](C)CC3)C2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/CO[C@H]3[C@]2(O)[C@H]1C=C(C)[C@H]3O	CNOCAS34742
PUBCHEM_712	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_712	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_712	O=C(OC1CC(=O)C(=C1C)CC=C)C1C(C)(C)C1C=C(C)C	C584792
PUBCHEM_712	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_712	O=C(O[C@H]1CC(=O)C(=C1C)CC=C)[C@H]1C(C)(C)[C@@H]1C=C(C)C	C28434006
PUBCHEM_712	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_712	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_712	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_712	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_712	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_712	c1c(cccc1)c1ccccc1	C92524
PUBCHEM_712	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_712	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_712	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_712	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_712	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_712	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_712	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_712	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_712	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_712	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_712	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_712	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_712	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_712	O=C(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)CC.Cl	C1095905
PUBCHEM_712	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_712	O=C1C(c2ccccc2)(c2ccccc2)NC(=O)N1	C57410
PUBCHEM_712	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_712	n1cnn(c1)CC(Cn1ncnc1)(c1c(cc(cc1)F)F)O	C86386734
PUBCHEM_712	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_712	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_712	C[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	C75330755
PUBCHEM_712	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_712	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_712	c1c2c(ccc1)cccc2	C91203
PUBCHEM_712	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_712	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_712	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_712	C1(c2ccccc2)(C(=O)NC(=NC1=O)[O-])CC.[Na+]	C57307
PUBCHEM_712	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_712	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_712	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_712	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_712	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_712	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_712	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_712	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_712	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_712	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_712	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_712	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_712	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_712	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_712	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_712	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_712	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_712	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_712	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_712	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_712	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_712	c1(C)c(O)c(CO)c(CO)cn1	C65236
PUBCHEM_712	O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(=C[C@H](C)C1)C=C[C@H](C)[C@@H]2CC[C@H]1OC(=O)C[C@H](O)C1	C79902639
PUBCHEM_712	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_712	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_712	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_712	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_712	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_712	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_712	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_712	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_712	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_712	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_712	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_712	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_712	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_712	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_712	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_712	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_712	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_712	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_712	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_712	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_712	O(O)C(c1ccccc1)(C)C	C80159
PUBCHEM_712	O(OC(c1ccccc1)(C)C)C(c1ccccc1)(C)C	C80433
PUBCHEM_712	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_712	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_712	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_712	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_712	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_712	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_712	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_712	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_712	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_712	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_712	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_712	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_712	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_712	O=C(/C(=C/C1C(=CCCC1(C)C)C)/C)C	C127515
PUBCHEM_712	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_712	c1(c2ccncc2)ccncc1	C553264
PUBCHEM_712	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_712	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_712	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_712	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_712	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_712	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_712	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_712	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_712	O=Cc1ccccc1C=O	C643798
PUBCHEM_712	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_712	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_712	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_712	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_712	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_712	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_712	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_712	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_712	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_712	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_712	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_712	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_712	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_712	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_712	CC(C)(C)c1ccccc1	C98066
PUBCHEM_712	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_712	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_712	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_712	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_712	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_712	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_712	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_712	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_712	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_712	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_712	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_712	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_712	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_712	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_712	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_712	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_712	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_712	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_712	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_712	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_712	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_712	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_712	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_712	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_712	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_712	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_712	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_712	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_712	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_712	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_712	O=C(O)C[C@@H](c1cnc(C)nc1)CCCCCCc1nc2c(CCCN2)cc1	CNOCAS47333
PUBCHEM_712	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_712	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_712	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_712	O=C(c1ccccc1)N1C[C@](c2cc(F)c(F)cc2)(CCN2CCC(NC(=O)N(C)C)(c3ccccc3)CC2)OCC1.Cl	C181640095
PUBCHEM_712	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_712	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_712	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_712	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_712	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_712	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_712	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_712	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_712	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_712	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_712	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_712	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_712	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_712	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_712	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_712	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_712	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_712	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_712	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_712	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_712	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_712	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_712	O=C([C@@H](C)CC)O[C@@H]1[C@H]2C(=C[C@@H](O)C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]	C81131706
PUBCHEM_712	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_712	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_712	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_712	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_712	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_712	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_712	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_712	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_712	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_712	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_712	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_712	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_712	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_712	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_712	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_712	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_712	O=C1OC2(CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)[C@@H](CCCC)CN1CC1CCOCC1	C1191914212
PUBCHEM_712	CCC1C(C)CCC2(CC3OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC(C)CC(=CCC(C3)O2)C)C45O)O1	C51596113
PUBCHEM_712	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_712	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_712	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_712	CC1(C)C2C(=CCC1C2)C	C80568
PUBCHEM_712	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_712	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_712	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_712	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_712	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_712	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_712	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_712	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_712	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_712	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_712	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_712	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_712	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_712	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_712	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_712	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_712	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_712	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_712	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_712	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_712	c1(C)[nH]c(=O)c(C#N)cc1c1ccncc1	C78415722
PUBCHEM_712	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_712	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_712	[Na+].O=C1[N-]C(=O)NC1(c1ccccc1)c1ccccc1	C630933
PUBCHEM_712	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_712	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_712	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_712	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_712	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_712	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_712	C(C(C(C)C)(C)C)(C(C)(C)S)(C)C	C25103586
PUBCHEM_712	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_712	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_712	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_712	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_712	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_712	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_712	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_712	O[C@@H](C[C@@H](O)CC(=O)O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c2ccccc2)c1c1ccc(F)cc1	C134523005
PUBCHEM_712	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_712	O=C([C@@H](c1ccccc1)CO)O[C@@H]1C[C@@H]2[C@@H]3[C@@H](O3)[C@@H]([N+]2([O-])C)C1.Br	C114498
PUBCHEM_712	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_712	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_712	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_712	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_712	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_712	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_712	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_712	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_712	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_712	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_712	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_712	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_712	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_712	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_712	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_712	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_712	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_712	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_712	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_712	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_712	O=C(Nc1ccccc1)c1c(C)oc(C)c1C	C28730178
PUBCHEM_712	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_712	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_712	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_712	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_712	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_712	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_712	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_712	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_712	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_712	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_712	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_712	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_712	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_712	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_712	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_712	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_712	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_712	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_712	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_712	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_712	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_712	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_712	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_712	COC(OC)C(C)c1ccccc1	C90879
PUBCHEM_712	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_712	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_712	CC1(C)C2CC(=CCC12)C	C13466789
PUBCHEM_712	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_712	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_712	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_713	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_713	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_713	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_713	C=Cc1ccc(cc1)C	C622979
PUBCHEM_713	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_713	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_713	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_713	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_713	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_713	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_713	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_713	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_713	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_713	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_713	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_713	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_713	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_713	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_713	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_713	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_713	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_713	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_713	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_713	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_713	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_713	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_713	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_713	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_713	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_713	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_713	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_713	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_713	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_713	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_713	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_713	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_713	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_713	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_713	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_713	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_713	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_713	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_713	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_713	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_713	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_713	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_713	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_713	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_713	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_713	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_713	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_713	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_713	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_713	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_713	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_713	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_713	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_713	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_713	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_713	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_713	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_713	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_713	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_713	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_713	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_713	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_713	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_713	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_713	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_713	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_713	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_713	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_713	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_713	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_713	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_713	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_713	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_713	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_713	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_713	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_713	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_713	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_713	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_713	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_713	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_713	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_713	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_713	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_713	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_713	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_713	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_713	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_713	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_713	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_713	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_713	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_713	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_713	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_713	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_713	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_713	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_713	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_713	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_713	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_713	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_713	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_713	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_713	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_713	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_713	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_713	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_713	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_713	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_714	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_714	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_714	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_714	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_714	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_714	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_714	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_714	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_714	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_714	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_714	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_714	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_714	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_714	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_714	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_714	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_714	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_714	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_714	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_714	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_714	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_714	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_714	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_714	Oc1ccc(CC)cc1	C123079
PUBCHEM_714	Oc1ccc(CCC)cc1	C645567
PUBCHEM_714	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_714	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_714	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_714	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_714	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_714	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_714	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_714	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_714	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_714	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_714	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_714	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_714	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_714	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_714	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_714	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_714	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_714	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_714	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_714	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_714	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_714	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_714	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_714	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_714	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_714	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_714	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_714	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_714	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_714	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_714	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_714	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_714	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_714	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_714	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_714	Oc1ccc2ccccc2c1	C135193
PUBCHEM_714	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_714	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_714	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_714	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_714	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_714	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_714	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_714	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_714	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_714	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_714	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_714	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_714	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_714	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_714	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_714	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_714	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_714	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_714	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_714	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_714	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_714	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_714	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_714	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_714	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_714	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_714	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_714	COc1ccc(CCC)cc1	C104450
PUBCHEM_714	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_714	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_714	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_714	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_714	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_714	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_714	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_714	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_714	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_714	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_714	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_714	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_714	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_714	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_714	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_714	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_714	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_714	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_714	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_714	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_714	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_714	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_714	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_714	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_714	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_714	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_714	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_714	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_714	Nc1cc(ccc1OC)C	C120718
PUBCHEM_714	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_714	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_714	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_714	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_714	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_714	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_714	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_714	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_714	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_714	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_714	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_714	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_714	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_714	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_714	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_714	Oc1ccc(C)cc1	C106445
PUBCHEM_714	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_714	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_714	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_714	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_714	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_714	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_714	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_714	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_714	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_714	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_714	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_714	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_714	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_714	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_714	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_714	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_714	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_714	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_714	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_714	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_714	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_714	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_714	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_714	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_714	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_714	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_714	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_714	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_714	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_714	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_714	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_714	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_714	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_714	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_714	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_714	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_714	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_714	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_714	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_714	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_714	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_714	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_714	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_714	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_714	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_714	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_714	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_714	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_714	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_714	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_714	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_714	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_714	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_714	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_714	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_714	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_714	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_714	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_714	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_714	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_714	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_714	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_714	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_714	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_714	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_714	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_714	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_714	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_714	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_714	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_714	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_714	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_714	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_714	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_714	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_714	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_714	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_714	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_714	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_714	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_714	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_714	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_714	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_714	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_714	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_714	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_714	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_714	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_714	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_714	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_714	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_714	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_714	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_714	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_714	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_714	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_714	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_714	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_714	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_714	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_714	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_714	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_714	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_715	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_715	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_715	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_715	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_715	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_715	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_715	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_715	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_715	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_715	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_715	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_715	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_715	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_715	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_715	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_715	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_715	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_715	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_715	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_715	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_715	Sc1ccc(C)cc1	C106456
PUBCHEM_715	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_715	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_715	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_715	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_715	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_715	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_715	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_715	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_715	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_715	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_715	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_715	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_715	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_715	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_715	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_715	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_715	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_715	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_715	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_716	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_716	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_716	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_716	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_716	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_716	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_716	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_716	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_716	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_716	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_716	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_716	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_716	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_716	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_716	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_716	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_716	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_716	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_716	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_716	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_716	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_716	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_716	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_716	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_716	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_716	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_716	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_716	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_716	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_716	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_716	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_716	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_716	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_716	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_716	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_716	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_716	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_716	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_716	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_716	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_716	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_716	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_716	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_716	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_716	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_716	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_716	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_716	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_716	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_716	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_716	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_716	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_716	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_716	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_716	Cc1cc2cccnc2cc1	C91623
PUBCHEM_716	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_716	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_716	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_716	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_716	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_716	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_716	Nc1ccc(C)cc1	C106490
PUBCHEM_716	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_716	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_716	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_716	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_716	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_716	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_716	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_716	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_716	Nc1cc(C)ccc1N	C496720
PUBCHEM_716	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_716	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_716	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_716	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_716	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_716	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_716	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_716	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_716	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_716	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_716	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_716	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_716	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_716	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_716	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_716	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_716	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_716	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_716	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_716	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_716	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_716	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_716	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_716	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_716	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_716	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_716	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_716	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_716	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_716	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_716	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_716	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_716	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_716	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_716	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_716	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_716	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_716	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_716	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_716	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_716	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_716	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_716	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_716	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_716	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_717	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_717	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_717	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_717	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_717	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_717	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_717	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_717	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_717	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_717	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_717	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_717	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_717	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_717	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_717	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_717	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_717	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_717	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_717	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_717	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_717	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_717	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_717	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_717	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_717	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_717	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_717	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_717	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_717	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_717	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_717	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_717	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_717	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_717	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_717	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_717	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_717	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_717	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_717	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_717	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_717	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_717	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_717	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_717	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_717	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_717	Cc1ccc(Cl)cc1	C106434
PUBCHEM_717	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_717	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_717	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_717	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_717	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_717	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_717	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_717	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_717	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_717	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_717	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_717	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_717	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_717	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_717	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_717	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_717	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_717	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_717	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_717	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_717	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_717	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_717	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_717	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_717	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_717	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_717	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_717	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_717	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_717	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_717	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_717	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_718	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_718	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_718	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_718	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_719	COc1ccc(cc1)O	C150765
PUBCHEM_719	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_719	COc1ccc(OC)cc1	C150787
PUBCHEM_719	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_719	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_719	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_719	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_719	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_719	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_719	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_719	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_719	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_719	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_719	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_719	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_719	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_719	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_719	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_719	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_719	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_719	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_719	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_719	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_719	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_719	Oc1ccc(cc1)O	C123319
PUBCHEM_719	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_719	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_719	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_719	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_719	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_719	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_719	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_719	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_719	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_719	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_719	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_719	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_719	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_719	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_719	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_719	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_719	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_719	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_719	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_719	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_719	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_720	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_720	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_720	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_720	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_720	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_720	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_720	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_720	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_720	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_720	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_720	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_720	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_720	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_720	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_720	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_720	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_720	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_720	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_721	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_721	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_721	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_721	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_721	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_721	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_721	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_721	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_721	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_721	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_721	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_721	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_721	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_721	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_721	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_721	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_721	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_721	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_721	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_721	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_721	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_721	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_721	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_721	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_721	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_721	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_721	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_721	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_721	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_721	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_721	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_721	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_721	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_721	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_721	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_721	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_721	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_721	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_721	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_721	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_721	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_721	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_721	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_721	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_721	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_721	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_721	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_721	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_721	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_721	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_721	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_721	Nc1ccc(OC)cc1	C104949
PUBCHEM_721	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_721	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_721	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_721	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_721	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_721	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_721	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_721	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_721	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_721	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_721	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_721	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_722	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_722	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_722	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_722	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_722	Oc1ccc(Cl)cc1	C106489
PUBCHEM_722	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_722	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_722	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_722	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_722	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_722	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_722	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_722	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_722	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_722	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_722	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_722	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_722	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_722	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_722	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_722	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_722	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_722	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_722	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_722	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_722	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_722	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_722	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_722	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_722	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_722	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_722	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_722	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_722	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_722	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_722	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_722	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_722	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_722	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_722	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_722	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_722	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_722	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_722	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_722	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_722	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_722	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_722	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_722	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_722	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_723	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_723	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_723	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_723	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_723	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_723	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_723	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_723	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_723	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_725	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_725	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_725	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_725	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_725	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_725	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_725	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_725	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_725	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_725	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_725	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_725	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_725	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_725	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_725	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_725	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_725	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_725	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_725	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_725	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_725	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_725	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_725	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_725	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_725	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_725	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_725	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_725	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_725	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_725	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_726	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_726	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_726	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_726	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_726	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_726	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_726	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_726	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_728	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_728	Nc1ccc(cc1)N	C106503
PUBCHEM_728	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_728	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_728	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_728	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_728	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_728	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_728	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_728	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_728	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_728	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_728	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_728	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_728	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_728	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_728	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_728	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_728	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_728	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_728	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_728	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_728	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_728	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_728	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_728	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_728	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_728	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_728	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_728	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_728	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_728	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_729	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_729	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_729	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_729	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_729	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_729	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_729	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_729	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_729	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_729	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_729	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_729	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_729	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_729	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_729	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_729	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_729	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_729	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_729	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_729	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_729	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_729	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_729	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_729	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_729	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_729	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_729	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_729	Nc1ccc(cc1)Cl	C106478
PUBCHEM_729	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_729	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_729	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_729	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_729	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_729	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_729	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_729	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_729	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_729	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_729	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_729	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_729	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_729	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_729	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_729	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_729	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_729	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_730	Nc1ccc(Br)cc1	C106401
PUBCHEM_730	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_730	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_731	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_731	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_731	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_731	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_731	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_731	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_731	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_731	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_731	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_731	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_731	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_731	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_731	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_731	Clc1ccc(cc1)Cl	C106467
PUBCHEM_731	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_731	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_731	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_731	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_731	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_731	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_731	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_731	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_731	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_731	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_731	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_731	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_733	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_734	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_734	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_734	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_734	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_734	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_734	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_734	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_734	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_734	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_734	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_734	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_734	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_734	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_734	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_734	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_734	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_734	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_734	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_734	Cc1cccc(C)c1	C108383
PUBCHEM_734	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_734	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_734	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_734	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_734	Nc1c(C)cccc1CC	C24549062
PUBCHEM_734	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_734	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_734	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_734	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_734	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_734	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_734	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_734	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_734	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_734	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_734	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_734	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_734	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_734	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_734	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_734	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_734	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_734	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_734	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_734	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_734	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_734	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_734	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_734	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_734	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_734	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_734	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_734	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_734	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_734	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_734	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_734	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_734	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_734	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_734	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_734	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_734	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_734	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_734	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_734	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_734	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_734	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_734	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_734	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_734	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_734	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_734	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_734	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_734	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_734	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_734	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_734	Cc1cc2cccnc2cc1	C91623
PUBCHEM_734	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_734	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_734	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_734	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_734	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_734	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_734	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_734	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_734	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_734	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_734	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_734	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_734	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_734	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_734	Oc1c(cccc1C)C	C576261
PUBCHEM_734	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_734	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_734	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_734	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_734	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_734	Nc1c(cccc1C)C	C87627
PUBCHEM_734	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_734	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_734	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_734	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_734	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_734	Nc1c(CC)cccc1CC	C579668
PUBCHEM_734	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_734	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_734	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_734	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_734	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_734	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_734	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_734	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_734	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_734	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_734	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_734	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_734	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_734	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_734	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_734	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_734	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_734	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_734	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_734	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_734	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_734	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_734	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_734	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_734	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_734	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_734	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_734	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_734	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_734	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_734	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_734	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_734	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_734	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_734	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_734	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_734	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_734	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_734	NCc1cccc(CN)c1	C1477550
PUBCHEM_734	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_734	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_734	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_734	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_734	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_734	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_734	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_734	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_734	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_734	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_734	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_734	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_734	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_734	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_734	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_734	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_734	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_734	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_734	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_734	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_734	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_734	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_734	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_734	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_735	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_735	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_735	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_735	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_735	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_735	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_735	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_735	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_735	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_735	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_735	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_735	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_735	Oc1cccc2ccccc12	C90153
PUBCHEM_735	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_735	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_735	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_735	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_735	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_735	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_735	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_735	c1c(O)cccc1CC	C620177
PUBCHEM_735	Cc1cc(O)ccc1	C108394
PUBCHEM_735	Cc1c(C)cccc1O	C526750
PUBCHEM_735	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_735	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_735	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_735	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_735	Oc1ccc2ccccc2c1	C135193
PUBCHEM_735	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_735	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_735	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_735	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_735	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_735	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_735	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_735	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_735	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_735	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_735	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_735	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_735	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_735	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_735	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_735	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_735	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_735	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_735	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_735	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_735	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_735	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_735	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_735	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_735	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_735	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_735	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_735	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_735	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_735	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_735	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_735	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_735	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_735	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_735	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_735	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_735	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_735	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_735	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_735	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_735	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_735	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_735	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_735	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_735	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_735	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_735	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_735	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_735	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_735	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_735	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_735	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_735	Oc1cccc2cccnc12	C148243
PUBCHEM_735	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_735	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_735	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_735	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_735	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_735	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_735	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_735	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_735	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_735	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_735	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_735	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_735	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_735	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_735	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_735	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_735	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_735	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_735	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_735	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_735	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_735	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_735	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_735	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_735	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_735	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_735	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_735	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_735	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_735	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_735	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_735	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_735	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_735	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_735	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_735	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_735	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_735	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_735	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_735	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_735	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_735	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_735	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_735	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_735	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_735	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_735	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_735	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_735	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_735	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_735	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_735	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_735	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_735	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_735	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_735	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_735	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_735	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_735	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_735	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_735	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_735	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_735	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_735	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_735	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_735	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_735	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_735	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_735	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_735	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_735	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_735	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_735	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_735	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_735	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_735	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_735	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_735	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_735	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_735	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_735	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_735	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_735	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_735	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_735	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_735	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_735	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_735	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_735	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_735	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_735	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_735	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_735	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_735	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_736	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_736	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_736	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_736	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_736	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_736	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_736	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_736	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_736	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_736	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_736	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_736	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_736	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_736	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_736	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_736	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_736	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_736	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_736	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_736	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_736	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_736	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_736	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_736	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_736	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_736	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_736	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_736	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_736	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_736	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_736	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_736	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_736	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_736	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_736	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_736	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_736	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_736	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_736	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_736	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_736	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_736	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_736	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_736	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_736	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_737	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_737	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_737	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_737	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_737	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_737	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_737	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_737	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_737	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_737	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_737	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_737	Nc1cccc(C)c1C	C1300738
PUBCHEM_737	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_737	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_737	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_737	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_737	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_737	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_737	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_737	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_737	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_737	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_737	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_737	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_737	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_737	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_737	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_737	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_737	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_737	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_737	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_737	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_737	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_737	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_737	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_737	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_737	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_737	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_737	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_737	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_737	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_737	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_737	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_737	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_737	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_737	Nc1cc(ccc1OC)C	C120718
PUBCHEM_737	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_737	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_737	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_737	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_737	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_737	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_737	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_737	CCNc1cc(C)ccc1	C102272
PUBCHEM_737	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_737	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_737	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_737	Nc1cc(C)ccc1N	C496720
PUBCHEM_737	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_737	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_737	Nc1cccc(C)c1	C108441
PUBCHEM_737	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_737	Nc1cccc(C)c1N	C2687254
PUBCHEM_737	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_737	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_737	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_737	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_737	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_737	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_737	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_737	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_737	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_737	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_737	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_737	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_737	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_737	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_737	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_737	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_737	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_737	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_737	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_737	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_737	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_737	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_737	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_737	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_737	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_737	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_737	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_737	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_737	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_737	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_737	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_737	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_737	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_737	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_737	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_737	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_737	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_737	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_737	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_737	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_737	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_737	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_737	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_737	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_737	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_737	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_737	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_738	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_738	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_738	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_738	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_738	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_738	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_738	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_738	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_738	Clc1cccc(C)c1	C25168052
PUBCHEM_738	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_738	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_738	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_738	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_738	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_738	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_738	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_738	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_738	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_738	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_738	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_738	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_738	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_738	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_738	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_738	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_738	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_738	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_738	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_738	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_738	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_738	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_738	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_738	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_738	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_738	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_738	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_738	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_738	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_738	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_738	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_738	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_738	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_738	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_738	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_738	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_738	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_738	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_738	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_738	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_738	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_738	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_738	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_738	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_738	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_738	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_739	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_739	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_739	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_739	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_739	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_739	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_739	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_739	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_739	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_739	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_739	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_739	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_740	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_740	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_740	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_740	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_740	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_740	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_740	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_740	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_740	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_740	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_740	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_740	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_740	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_740	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_740	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_740	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_740	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_740	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_740	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_740	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_740	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_740	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_740	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_740	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_740	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_740	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_740	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_740	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_740	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_740	Oc1cc(ccc1)O	C108463
PUBCHEM_740	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_740	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_740	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_740	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_740	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_740	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_740	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_740	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_740	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_740	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_740	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_740	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_740	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_740	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_740	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_740	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_740	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_740	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_740	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_740	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_740	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_740	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_740	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_740	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_740	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_740	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_741	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_741	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_741	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_741	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_741	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_741	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_741	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_741	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_741	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_741	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_742	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_742	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_742	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_742	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_742	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_742	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_742	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_742	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_742	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_742	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_742	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_742	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_742	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_742	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_742	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_742	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_742	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_742	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_742	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_742	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_742	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_742	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_742	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_742	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_742	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_742	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_742	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_742	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_742	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_742	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_743	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_743	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_743	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_743	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_743	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_743	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_743	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_743	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_743	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_743	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_743	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_743	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_743	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_743	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_743	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_743	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_743	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_743	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_743	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_743	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_743	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_743	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_743	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_745	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_745	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_745	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_745	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_745	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_745	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_746	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_746	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_746	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_746	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_746	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_746	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_746	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_746	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_746	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_746	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_746	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_746	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_746	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_746	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_747	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_747	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_747	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_747	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_747	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_747	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_749	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_749	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_749	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_749	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_749	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_749	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_749	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_749	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_749	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_749	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_749	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_749	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_749	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_749	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_749	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_749	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_749	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_749	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_749	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_749	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_749	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_749	Nc1cc(ccc1)N	C108452
PUBCHEM_749	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_749	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_749	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_749	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_749	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_749	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_749	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_749	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_749	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_749	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_749	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_749	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_749	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_749	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_749	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_749	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_749	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_749	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_749	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_749	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_749	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_749	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_749	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_750	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_750	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_750	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_750	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_750	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_750	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_750	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_750	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_750	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_750	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_750	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_750	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_750	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_750	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_750	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_750	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_750	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_750	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_750	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_750	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_750	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_750	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_750	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_750	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_750	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_750	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_750	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_750	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_750	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_750	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_750	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_750	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_750	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_750	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_750	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_750	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_750	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_750	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_750	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_750	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_750	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_750	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_750	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_750	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_750	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_750	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_752	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_752	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_752	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_752	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_752	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_752	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_752	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_752	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_752	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_752	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_752	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_752	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_752	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_752	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_752	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_752	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_752	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_752	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_752	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_752	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_752	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_752	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_752	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_752	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_752	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_752	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_752	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_752	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_752	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_752	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_752	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_752	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_752	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_752	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_752	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_752	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_752	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_752	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_752	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_752	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_752	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_752	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_752	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_752	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_752	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_752	Clc1cc(Cl)ccc1	C541731
PUBCHEM_752	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_752	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_752	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_752	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_752	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_752	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_752	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_752	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_752	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_752	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_752	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_752	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_752	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_752	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_752	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_752	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_752	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_752	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_752	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_752	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_752	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_752	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_752	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_752	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_752	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_753	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_753	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_754	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_754	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_754	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_754	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_754	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_754	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_754	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_754	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_754	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_754	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_754	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_754	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_755	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_755	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_755	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_755	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_755	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_755	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_755	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_755	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_755	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_755	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_755	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_755	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_755	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_755	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_755	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_755	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_755	Oc1cccc2ccccc12	C90153
PUBCHEM_755	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_755	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_755	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_755	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_755	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_755	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_755	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_755	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_755	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_755	Cc1c(C)cccc1O	C526750
PUBCHEM_755	C=Cc1ccccc1C=C	C1321740
PUBCHEM_755	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_755	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_755	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_755	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_755	c12ccccc1CCCC2	C119642
PUBCHEM_755	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_755	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_755	Oc1ccc2ccccc2c1	C135193
PUBCHEM_755	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_755	Nc1cccc(C)c1C	C1300738
PUBCHEM_755	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_755	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_755	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_755	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_755	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_755	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_755	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_755	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_755	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_755	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_755	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_755	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_755	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_755	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_755	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_755	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_755	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_755	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_755	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_755	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_755	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_755	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_755	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_755	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_755	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_755	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_755	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_755	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_755	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_755	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_755	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_755	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_755	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_755	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_755	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_755	c12ccccc1CC=C2	C95136
PUBCHEM_755	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_755	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_755	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_755	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_755	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_755	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_755	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_755	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_755	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_755	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_755	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_755	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_755	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_755	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_755	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_755	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_755	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_755	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_755	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_755	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_755	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_755	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_755	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_755	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_755	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_755	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_755	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_755	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_755	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_755	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_755	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_755	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_755	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_755	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_755	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_755	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_755	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_755	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_755	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_755	c1c2c(ccc1)cccc2	C91203
PUBCHEM_755	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_755	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_755	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_755	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_755	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_755	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_755	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_755	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_755	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_755	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_755	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_755	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_755	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_755	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_755	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_755	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_755	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_755	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_755	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_755	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_755	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_755	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_755	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_755	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_755	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_755	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_755	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_755	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_755	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_755	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_755	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_755	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_755	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_755	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_755	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_755	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_755	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_755	O=Cc1ccccc1C=O	C643798
PUBCHEM_755	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_755	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_755	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_755	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_755	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_755	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_755	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_755	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_755	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_755	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_755	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_755	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_755	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_755	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_755	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_755	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_755	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_755	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_755	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_755	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_755	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_755	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_755	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_755	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_755	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_755	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_755	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_755	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_755	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_755	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_755	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_755	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_755	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_755	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_755	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_755	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_755	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_755	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_755	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_755	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_755	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_755	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_755	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_755	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_755	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_755	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_755	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_755	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_755	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_755	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_755	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_755	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_755	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_755	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_755	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_755	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_755	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_755	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_755	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_755	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_755	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_755	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_755	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_755	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_755	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_755	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_755	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_755	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_755	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_755	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_755	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_755	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_756	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_756	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_756	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_756	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_756	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_756	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_756	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_756	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_756	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_756	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_756	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_756	O=Cc1ccccc1O	C90028
PUBCHEM_756	Oc1cccc2ccccc12	C90153
PUBCHEM_756	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_756	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_756	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_756	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_756	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_756	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_756	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_756	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_756	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_756	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_756	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_756	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_756	c1(c(CC)cccc1)O	C90006
PUBCHEM_756	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_756	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_756	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_756	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_756	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_756	Cc1c(C)cccc1O	C526750
PUBCHEM_756	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_756	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_756	O=C(O)c1ccccc1O	C69727
PUBCHEM_756	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_756	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_756	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_756	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_756	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_756	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_756	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_756	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_756	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_756	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_756	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_756	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_756	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_756	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_756	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_756	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_756	O=C(c1ccccc1O)C	C118934
PUBCHEM_756	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_756	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_756	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_756	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_756	Oc1ccccc1CN(C)C	C120650
PUBCHEM_756	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_756	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_756	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_756	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_756	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_756	N#Cc1c(O)cccc1	C611201
PUBCHEM_756	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_756	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_756	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_756	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_756	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_756	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_756	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_756	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_756	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_756	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_756	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_756	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_756	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_756	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_756	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_756	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_756	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_756	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_756	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_756	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_756	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_756	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_756	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_756	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_756	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_756	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_756	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_756	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_756	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_756	c1coc2c1cccc2	C271896
PUBCHEM_756	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_756	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_756	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_756	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_756	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_756	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_756	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_756	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_756	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_756	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_756	Oc1c(C)cccc1	C95487
PUBCHEM_756	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_756	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_756	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_756	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_756	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_756	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_756	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_756	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_756	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_756	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_756	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_756	Oc1c(cccc1C)C	C576261
PUBCHEM_756	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_756	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_756	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_756	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_756	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_756	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_756	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_756	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_756	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_756	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_756	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_756	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_756	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_756	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_756	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_756	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_756	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_756	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_756	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_756	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_756	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_756	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_756	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_756	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_756	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_756	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_756	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_756	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_756	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_756	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_756	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_756	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_756	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_756	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_756	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_756	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_756	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_756	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_756	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_756	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_756	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_756	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_756	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_756	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_756	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_756	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_756	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_756	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_756	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_756	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_756	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_756	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_756	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_756	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_756	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_756	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_756	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_756	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_756	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_756	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_756	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_756	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_756	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_756	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_756	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_756	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_756	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_756	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_756	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_756	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_756	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_756	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_756	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_756	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_756	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_756	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_756	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_756	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_756	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_756	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_756	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_756	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_756	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_756	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_756	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_757	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_757	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_757	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_757	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_757	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_757	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_757	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_757	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_757	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_757	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_757	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_757	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_757	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_757	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_757	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_757	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_757	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_757	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_757	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_757	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_757	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_757	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_757	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_757	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_757	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_757	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_757	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_757	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_757	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_757	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_757	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_757	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_757	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_757	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_757	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_757	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_757	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_757	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_757	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_757	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_757	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_757	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_757	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_757	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_757	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_757	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_757	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_757	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_757	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_757	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_757	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_757	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_757	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_757	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_757	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_757	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_758	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_758	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_758	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_758	c1cccc2[nH]ccc12	C120729
PUBCHEM_758	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_758	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_758	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_758	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_758	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_758	Nc1ccccc1C.Cl	C636215
PUBCHEM_758	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_758	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_758	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_758	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_758	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_758	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_758	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_758	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_758	Nc1cccc(C)c1C	C1300738
PUBCHEM_758	Nc1c(C)cccc1CC	C24549062
PUBCHEM_758	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_758	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_758	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_758	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_758	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_758	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_758	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_758	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_758	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_758	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_758	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_758	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_758	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_758	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_758	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_758	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_758	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_758	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_758	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_758	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_758	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_758	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_758	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_758	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_758	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_758	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_758	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_758	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_758	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_758	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_758	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_758	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_758	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_758	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_758	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_758	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_758	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_758	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_758	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_758	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_758	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_758	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_758	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_758	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_758	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_758	Oc1cccc2cccnc12	C148243
PUBCHEM_758	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_758	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_758	Cc1cc2cccnc2cc1	C91623
PUBCHEM_758	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_758	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_758	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_758	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_758	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_758	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_758	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_758	n1cccc2c1cccc2	C91225
PUBCHEM_758	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_758	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_758	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_758	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_758	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_758	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_758	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_758	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_758	Nc1c(cccc1)C	C95534
PUBCHEM_758	Nc1c(cccc1C)C	C87627
PUBCHEM_758	Nc1c(CC)cccc1CC	C579668
PUBCHEM_758	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_758	Nc1cccc(C)c1N	C2687254
PUBCHEM_758	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_758	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_758	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_758	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_758	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_758	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_758	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_758	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_758	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_758	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_758	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_758	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_758	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_758	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_758	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_758	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_758	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_758	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_758	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_758	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_758	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_758	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_758	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_758	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_758	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_758	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_758	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_758	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_758	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_758	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_758	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_758	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_758	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_758	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_758	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_758	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_758	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_758	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_758	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_758	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_758	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_758	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_758	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_758	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_758	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_758	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_758	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_758	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_758	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_758	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_758	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_758	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_758	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_758	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_758	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_758	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_758	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_758	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_758	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_758	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_758	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_758	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_758	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_758	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_758	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_758	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_758	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_759	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_759	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_759	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_759	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_759	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_759	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_759	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_759	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_759	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_759	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_759	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_759	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_759	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_759	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_759	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_759	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_759	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_759	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_759	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_759	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_759	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_759	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_759	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_759	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_759	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_759	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_759	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_759	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_759	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_759	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_759	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_759	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_759	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_759	Cc1ccccc1Cl	C95498
PUBCHEM_759	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_759	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_759	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_759	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_759	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_759	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_759	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_759	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_759	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_759	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_759	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_759	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_759	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_759	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_759	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_759	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_759	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_759	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_759	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_759	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_759	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_759	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_759	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_759	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_760	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_760	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_760	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_761	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_761	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_761	c1cccc(OC)c1O	C90051
PUBCHEM_761	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_761	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_761	Oc1c(OCC)cccc1	C94713
PUBCHEM_761	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_761	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_761	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_761	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_761	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_761	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_761	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_761	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_761	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_761	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_761	Oc1c(cccc1)O	C120809
PUBCHEM_761	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_761	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_761	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_761	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_761	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_761	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_761	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_761	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_761	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_761	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_761	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_761	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_761	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_761	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_761	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_761	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_761	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_761	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_761	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_761	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_761	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_761	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_761	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_761	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_761	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_761	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_761	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_761	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_761	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_761	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_761	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_761	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_761	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_762	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_762	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_762	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_762	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_762	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_762	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_762	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_763	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_763	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_763	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_763	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_763	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_763	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_763	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_763	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_763	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_763	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_763	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_763	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_763	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_763	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_763	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_763	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_763	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_763	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_763	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_763	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_763	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_763	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_763	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_763	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_763	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_763	Nc1cc(ccc1OC)C	C120718
PUBCHEM_763	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_763	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_763	Oc1cccc2cccnc12	C148243
PUBCHEM_763	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_763	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_763	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_763	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_763	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_763	Nc1c(OC)cccc1	C90040
PUBCHEM_763	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_763	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_763	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_763	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_763	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_763	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_763	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_763	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_763	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_763	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_763	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_763	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_763	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_763	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_763	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_763	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_763	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_763	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_763	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_763	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_763	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_763	CC1COc2ccccc2N1	C32329207
PUBCHEM_763	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_764	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_764	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_764	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_764	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_764	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_764	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_764	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_764	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_764	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_764	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_764	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_764	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_764	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_764	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_764	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_764	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_764	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_764	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_764	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_764	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_764	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_764	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_764	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_764	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_764	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_764	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_764	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_764	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_764	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_764	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_764	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_764	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_764	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_764	Oc1ccccc1Cl	C95578
PUBCHEM_764	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_764	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_764	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_764	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_764	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_764	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_764	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_764	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_764	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_764	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_764	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_764	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_764	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_764	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_765	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_765	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_765	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_765	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_765	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_765	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_765	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_765	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_765	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_765	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_765	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_767	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_767	c1ccc2ncsc2c1	C95169
PUBCHEM_767	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_767	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_767	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_767	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_767	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_767	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_767	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_767	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_767	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_767	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_767	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_767	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_767	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_767	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_767	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_767	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_767	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_767	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_767	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_768	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_768	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_768	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_768	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_768	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_768	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_768	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_768	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_768	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_770	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_770	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_770	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_770	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_770	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_770	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_770	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_770	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_770	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_770	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_770	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_770	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_770	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_770	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_770	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_770	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_770	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_770	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_770	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_770	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_770	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_770	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_770	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_770	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_770	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_770	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_770	Nc1cc(C)ccc1N	C496720
PUBCHEM_770	Nc1c(N)cccc1	C95545
PUBCHEM_770	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_770	Nc1cccc(C)c1N	C2687254
PUBCHEM_770	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_770	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_770	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_770	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_770	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_770	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_770	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_770	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_770	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_770	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_770	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_770	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_770	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_770	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_770	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_770	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_770	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_770	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_771	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_771	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_771	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_771	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_771	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_771	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_771	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_771	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_771	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_771	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_771	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_771	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_771	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_771	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_771	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_771	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_771	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_771	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_771	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_771	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_771	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_771	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_771	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_771	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_771	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_771	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_771	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_771	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_772	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_773	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_773	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_773	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_773	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_773	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_773	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_773	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_773	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_773	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_773	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_773	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_773	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_773	Clc1c(cccc1)Cl	C95501
PUBCHEM_773	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_773	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_773	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_773	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_773	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_773	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_773	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_773	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_773	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_773	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_773	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_773	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_773	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_773	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_773	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_773	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_773	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_773	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_773	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_773	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_773	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_773	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_774	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_775	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_776	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_776	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_776	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_776	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_776	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_776	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_776	Cl.N#Cc1ccc(cc1)C1CCCc2cncn12	C102676313
PUBCHEM_776	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_776	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_776	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_776	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_776	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_776	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_776	C=Cc1ccc(cc1)C	C622979
PUBCHEM_776	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_776	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_776	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_776	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_776	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_776	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_776	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_776	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_776	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_776	c1cc(C#N)ccc1C(c1ccc(C#N)cc1)n1ncnc1	C112809515
PUBCHEM_776	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_776	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_776	CC1(C)CNC(=N/N=C(\C=C\c2ccc(cc2)C(F)(F)F)/C=C/c2ccc(cc2)C(F)(F)F)NC1	C67485294
PUBCHEM_776	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_776	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_776	c1(ccc(cc1)C)C(C)(C)C	C98511
PUBCHEM_776	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_776	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_776	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_776	C(=O)(O)c1ccc(cc1)C(=O)O	C100210
PUBCHEM_776	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_776	O=CC(C)Cc1ccc(C(C)(C)C)cc1	C80546
PUBCHEM_776	O=C(OC)C1CCC(C(=O)OC)CC1	C94600
PUBCHEM_776	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_776	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_776	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_776	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_776	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_776	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_776	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_776	CC(C)(C)c1ccc(cc1)CC(C)CN1C[C@@H](C)O[C@@H](C)C1	C67564914
PUBCHEM_776	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_776	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_776	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_776	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_776	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_776	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_776	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_776	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_776	O=C(O)C1CCC(C(=O)O)CC1	C1076977
PUBCHEM_776	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_776	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_776	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_776	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_776	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_776	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_776	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_776	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_776	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_776	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_776	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_776	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_776	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_776	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_776	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_776	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_776	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_776	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_776	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_776	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_776	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_776	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_776	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_776	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_776	CC(C)(C)c1ccc(c2ccc(C(C)(C)C)cc2)cc1	C1625918
PUBCHEM_776	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_776	O=C(OCC)c1ccc(C)cc1	C94086
PUBCHEM_776	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_776	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
PUBCHEM_776	O=c1n(C(C)(C)C)ncc(SCc2ccc(C(C)(C)C)cc2)c1Cl	C96489713
PUBCHEM_776	O=C(OCc1c(F)c(F)c(C)c(F)c1F)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C79538322
PUBCHEM_776	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_776	O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(CC)nn1C	C119168773
PUBCHEM_776	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_776	O=S(=O)(n1c(C#N)nc(Cl)c1c1ccc(C)cc1)N(C)C	C120116883
PUBCHEM_776	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_776	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_776	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_776	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_776	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_776	O=C(c1ccc(cc1)C(=O)OC)OC	C120616
PUBCHEM_776	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_776	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_776	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_776	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_776	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_776	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_776	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_776	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_776	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_776	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_776	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_776	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_776	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_776	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_776	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_776	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_776	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_776	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_776	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_776	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_776	CC(C)c1ccc(C)cc1	C99876
PUBCHEM_776	O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1	C6422862
PUBCHEM_776	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_776	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_776	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_776	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_776	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_776	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_776	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_776	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
PUBCHEM_776	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_776	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_776	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_776	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_776	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_776	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_776	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_776	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_776	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_776	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_776	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_776	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_776	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_776	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_776	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_776	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_776	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_776	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_776	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_776	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_776	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_776	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_776	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_776	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_776	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_776	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_776	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_776	CC(c1ccc(CO)cc1)C	C536607
PUBCHEM_776	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_776	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_776	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_776	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_776	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_776	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_776	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_776	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_776	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_776	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_776	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_776	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_776	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_776	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_776	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_776	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_776	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_776	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_776	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_776	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_776	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_776	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_776	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_776	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_776	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_776	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_776	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_776	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_776	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_776	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_776	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_776	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_777	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
PUBCHEM_777	C(=O)(c1ccc(cc1)O)OCCCC	C94268
PUBCHEM_777	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_777	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_777	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
PUBCHEM_777	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_777	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
PUBCHEM_777	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_777	C=CCc1ccc(cc1)OC	C140670
PUBCHEM_777	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_777	CC1(C)OC2(C)CCC1CC2	C470826
PUBCHEM_777	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_777	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_777	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_777	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_777	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
PUBCHEM_777	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_777	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_777	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_777	Oc1ccc(cc1)c1ccccc1	C92693
PUBCHEM_777	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_777	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_777	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_777	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
PUBCHEM_777	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_777	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_777	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_777	Oc1ccc(CC)cc1	C123079
PUBCHEM_777	Oc1ccc(CCC)cc1	C645567
PUBCHEM_777	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_777	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_777	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_777	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
PUBCHEM_777	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_777	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_777	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_777	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_777	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
PUBCHEM_777	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_777	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_777	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_777	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_777	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_777	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_777	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_777	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
PUBCHEM_777	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_777	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_777	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
PUBCHEM_777	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_777	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
PUBCHEM_777	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
PUBCHEM_777	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
PUBCHEM_777	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
PUBCHEM_777	C(=O)(c1ccc(cc1)O)OCC	C120478
PUBCHEM_777	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
PUBCHEM_777	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
PUBCHEM_777	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_777	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
PUBCHEM_777	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_777	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_777	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_777	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_777	OC1CCC(C(C)(C)C)CC1	C98522
PUBCHEM_777	O=C(O)c1ccc(O)cc1	C99967
PUBCHEM_777	O=Cc1ccc(OC)cc1	C123115
PUBCHEM_777	Oc1ccc2ccccc2c1	C135193
PUBCHEM_777	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_777	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_777	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_777	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
PUBCHEM_777	O=C(c1ccc(O)cc1)C	C99934
PUBCHEM_777	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_777	CCCCCCCCCc1ccc(O)cc1	C104405
PUBCHEM_777	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_777	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
PUBCHEM_777	O=C(CBr)c1ccc(O)cc1	C2491385
PUBCHEM_777	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_777	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
PUBCHEM_777	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
PUBCHEM_777	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_777	Oc1ccc(CCCCCCC)cc1	C1987504
PUBCHEM_777	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
PUBCHEM_777	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_777	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_777	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_777	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_777	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_777	OC1CCC(C(CC)(C)C)CC1	C5349519
PUBCHEM_777	OC1CCC(C2CCCCC2)CC1	C2433149
PUBCHEM_777	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_777	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_777	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_777	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_777	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_777	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_777	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_777	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_777	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_777	Oc1ccc(C(C)C)cc1	C99898
PUBCHEM_777	COc1ccc(CCC)cc1	C104450
PUBCHEM_777	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_777	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_777	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_777	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
PUBCHEM_777	Oc1ccc(CCCC)cc1	C1638228
PUBCHEM_777	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_777	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_777	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
PUBCHEM_777	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
PUBCHEM_777	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
PUBCHEM_777	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_777	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_777	CC(C1CCC(CC1)OC)(CC)C	C199584388
PUBCHEM_777	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_777	OC1CCC(CCCC)CC1	C70568604
PUBCHEM_777	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_777	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_777	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_777	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_777	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_777	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
PUBCHEM_777	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_777	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_777	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_777	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_777	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_777	CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC	C118134308
PUBCHEM_777	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_777	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_777	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_777	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
PUBCHEM_777	C/C=C/c1ccc(cc1)OC	C4180238
PUBCHEM_777	C(c1ccc(O)cc1)(C)(C)C	C98544
PUBCHEM_777	Nc1cc(ccc1OC)C	C120718
PUBCHEM_777	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_777	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_777	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_777	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_777	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_777	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_777	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_777	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_777	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_777	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_777	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_777	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_777	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_777	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
PUBCHEM_777	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_777	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_777	C(c1ccc(cc1)O)(CC)(C)C	C80466
PUBCHEM_777	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_777	Oc1ccc(C)cc1	C106445
PUBCHEM_777	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_777	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_777	Oc1ccc(CCCCCCCC)cc1	C1806264
PUBCHEM_777	c1(ccc(cc1)O)C(CC)C	C99718
PUBCHEM_777	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_777	C(=O)(c1ccc(cc1)O)OCCC	C94133
PUBCHEM_777	C(=O)(c1ccc(cc1)O)OC	C99763
PUBCHEM_777	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_777	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_777	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
PUBCHEM_777	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_777	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_777	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_777	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_777	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_777	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_777	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_777	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_777	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_777	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_777	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_777	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_777	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_777	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_777	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_777	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_777	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
PUBCHEM_777	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_777	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_777	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_777	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_777	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
PUBCHEM_777	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_777	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_777	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_777	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_777	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_777	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_777	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
PUBCHEM_777	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_777	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_777	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_777	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_777	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
PUBCHEM_777	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_777	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_777	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_777	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_777	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_777	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_777	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_777	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_777	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_777	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_777	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_777	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_777	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_777	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_777	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_777	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_777	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_777	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_777	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
PUBCHEM_777	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
PUBCHEM_777	c1c(I)c(O)c(I)cc1C#N	C1689834
PUBCHEM_777	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_777	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_777	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_777	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_777	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
PUBCHEM_777	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_777	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_777	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_777	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_777	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_777	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_777	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_777	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
PUBCHEM_777	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_777	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
PUBCHEM_777	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_777	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_777	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_777	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_777	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_777	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_777	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_777	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_777	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_777	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_777	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_777	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_777	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
PUBCHEM_777	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_777	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_777	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_777	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_777	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
PUBCHEM_777	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
PUBCHEM_777	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
PUBCHEM_777	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_777	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
PUBCHEM_777	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_777	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
PUBCHEM_777	OC1CCC(C(C)(C)C2CCC(O)CC2)CC1	C80046
PUBCHEM_777	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_777	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_777	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
PUBCHEM_777	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_777	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_777	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_777	O=COCc1ccc(OC)cc1	C122918
PUBCHEM_778	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_778	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_778	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_778	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_778	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_778	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Ca+2]	C26264062
PUBCHEM_778	O=S(=O)(c1ccc(C)cc1)N	C70553
PUBCHEM_778	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_778	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_778	O=S(=O)([N-]Cl)c1ccc(C)cc1.[Na+].O.O.O	C7080504
PUBCHEM_778	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_778	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_778	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_778	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_778	O=S(=O)(c1ccc(C)cc1)NCCCC	C1907659
PUBCHEM_778	O=S(=O)(c1ccc(C)cc1)[O-].[Na+]	C657841
PUBCHEM_778	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_778	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_778	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_778	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_778	O=S(=O)(c1ccc(CCCCCCCC)cc1)[O-].[Na+]	C6149037
PUBCHEM_778	Sc1ccc(C)cc1	C106456
PUBCHEM_778	Sc1ccc(C(C)(C)C)cc1	C2396681
PUBCHEM_778	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_778	O=S(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1	C1156190
PUBCHEM_778	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_778	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_778	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)[O-].[Na+]	C25155300
PUBCHEM_778	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_778	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O	C27176870
PUBCHEM_778	O=S(=O)(c1ccc(C(CCCCCCCCC)CC)cc1)O.OCCN(CCO)CCO	C27323417
PUBCHEM_778	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_778	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_778	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_778	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_778	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_778	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_778	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_778	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_778	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_778	O=C(c1ccc(SC)cc1)C(N1CCOCC1)(C)C	C71868105
PUBCHEM_779	N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.Cl	C2465272
PUBCHEM_779	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_779	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_779	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_779	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_779	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_779	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_779	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_779	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_779	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_779	c1cc(N)ccc1C(=O)OCC	C94097
PUBCHEM_779	Nc1ccc(CCCC)cc1	C104132
PUBCHEM_779	N1C(=O)CCC(c2ccc(N)cc2)(CC)C1=O	C125848
PUBCHEM_779	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_779	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_779	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_779	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_779	CC(c1ccccc1)(C)c1ccc(Nc2ccc(C(c3ccccc3)(C)C)cc2)cc1	C10081671
PUBCHEM_779	O=C(OCC(CC)CCCC)c1ccc(N(C)C)cc1	C21245023
PUBCHEM_779	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_779	Nc1ccc(CCCCC)cc1	C33228443
PUBCHEM_779	Nc1ccc(CCCCCC)cc1	C33228454
PUBCHEM_779	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_779	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_779	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_779	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_779	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_779	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_779	O=C(OCCN(CC)CC)c1ccc(cc1)N.Cl	C51058
PUBCHEM_779	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_779	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_779	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_779	O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1	C9016879
PUBCHEM_779	Nc1ccc(CCC)cc1	C2696846
PUBCHEM_779	Nc1ccc(C(C)(C)C)cc1	C769926
PUBCHEM_779	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_779	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_779	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_779	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_779	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_779	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_779	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_779	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_779	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_779	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_779	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_779	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_779	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_779	Nc1ccc(c2ccc(N)cc2)cc1	C92875
PUBCHEM_779	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_779	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_779	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_779	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_779	[Cl-].C[N+](=C1C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1)C	C548629
PUBCHEM_779	Nc1c2c(nc(n1)N)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	C59052
PUBCHEM_779	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_779	CN(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1	C101611
PUBCHEM_779	Cc1cc2cccnc2cc1	C91623
PUBCHEM_779	O=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	C90948
PUBCHEM_779	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_779	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_779	OC(=O)c1ccc(cc1)[N+](=O)[O-]	C62237
PUBCHEM_779	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_779	CN(C)c1ccc(C)cc1	C99978
PUBCHEM_779	Nc1ccc(C)cc1	C106490
PUBCHEM_779	c1(N)ccc(cc1)Cc1ccc(cc1)N	C101779
PUBCHEM_779	O=c1nc(N)[nH]c2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C59303
PUBCHEM_779	Nc1nc(N)nc2ncc(nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C54626
PUBCHEM_779	O=N(=O)c1ccc(C)cc1	C99990
PUBCHEM_779	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_779	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_779	O=C(O)c1ccc(N)cc1	C150130
PUBCHEM_779	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_779	Nc1cc(C)ccc1N	C496720
PUBCHEM_779	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_779	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_779	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_779	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_779	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_779	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_779	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_779	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_779	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_779	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_779	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_779	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_779	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_779	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_779	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_779	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_779	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_779	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_779	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_779	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_779	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_779	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_779	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_779	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_779	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_779	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_779	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_779	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_779	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_779	c1(nc(sc1)NN)c1ccc(cc1)N	C26049718
PUBCHEM_779	NNc1nc(c2ccc([N+](=O)[O-])cc2)cs1	C26049707
PUBCHEM_779	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_779	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_779	Nc1ccc(cc1)/C(=C\1/C=CC(=N)C=C1)/c1ccc(N)cc1.Cl	C569619
PUBCHEM_779	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_779	CN(C)c1ccc(C=O)cc1	C100107
PUBCHEM_779	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_779	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_779	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_779	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_779	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_779	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_779	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_779	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_779	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_779	c1(Cc2ccc(N(CC3CO3)CC3CO3)cc2)ccc(N(CC2CO2)CC2CO2)cc1	C28768323
PUBCHEM_779	ClC(Cl)(F)SN(c1ccc(C)cc1)S(=O)(=O)N(C)C	C731271
PUBCHEM_779	O=C1N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C(=O)C=C1	C13676545
PUBCHEM_779	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_779	[O-][N+](=O)c1ccc(cc1)c1ccc(C=NN2CC(=O)[N-]C2=O)o1.[Na+]	C14663231
PUBCHEM_779	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_779	O=C(c1ccc(N2CCOCC2)cc1)C(N(C)C)(CC)Cc1ccccc1	C119313121
PUBCHEM_779	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_780	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_780	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72559
PUBCHEM_780	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_780	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_780	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_780	C(F)(F)(F)c1ccc(Cl)cc1	C98566
PUBCHEM_780	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_780	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_780	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_780	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_780	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_780	N#Cc1c(c2ccc(Cl)cc2)n(COCC)c(C(F)(F)F)c1Br	C122453730
PUBCHEM_780	O=C(NN(C(C)(C)C)C(=O)c1ccccc1)c1ccc(Cl)cc1	C112226616
PUBCHEM_780	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_780	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_780	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_780	Clc1ccc(CCCC)cc1	C15499271
PUBCHEM_780	O=C(c1ccc(Cl)cc1)CC	C6285058
PUBCHEM_780	Clc1ccc(CCCCC)cc1	C79098207
PUBCHEM_780	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_780	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl	C115322
PUBCHEM_780	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_780	OC(C(C)(C)C)C(Cc1ccc(cc1)Cl)n1ncnc1	C76738620
PUBCHEM_780	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_780	C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	C78587050
PUBCHEM_780	Clc1ccc(cc1)C(CCCC)(Cn1cncn1)C#N	C88671890
PUBCHEM_780	Clc1ccc(CSC(=O)N(CC)CC)cc1	C28249776
PUBCHEM_780	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_780	Clc1ccc(CCC(C#N)(Cn2ncnc2)c2ccccc2)cc1	C114369436
PUBCHEM_780	Clc1ccc(C(Cn2cncn2)(C(C)C2CC2)O)cc1	C94361065
PUBCHEM_780	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_780	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_780	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_780	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_780	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_780	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_780	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_780	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_780	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_780	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_780	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_780	OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(=O)OCC	C510156
PUBCHEM_780	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	C72548
PUBCHEM_780	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	C50293
PUBCHEM_780	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_780	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_780	Nc1c(c(nc(n1)N)CC)c1ccc(cc1)Cl	C58140
PUBCHEM_780	Cc1ccc(Cl)cc1	C106434
PUBCHEM_780	Clc1ccc(C(Cl)(Cl)Cl)cc1	C5216251
PUBCHEM_780	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
PUBCHEM_780	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_780	OC(C(C)(C)C)(Cn1ncnc1)CCc1ccc(Cl)cc1	C107534963
PUBCHEM_780	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	C52868
PUBCHEM_780	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_780	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_780	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_780	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_780	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_780	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_780	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_780	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_780	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_780	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_780	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_780	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_780	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_780	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_780	C(=O)(O)c1ccc(Cl)cc1	C74113
PUBCHEM_780	O=C(C(C)(C)C)CCc1ccc(Cl)cc1	C66346018
PUBCHEM_780	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_780	OC(c1ccc(Cl)cc1)(C)c1ccc(Cl)cc1	C80068
PUBCHEM_780	OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C2642822
PUBCHEM_780	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_780	O=C(C(c1ccc(Cl)cc1)(O)c1ccc(Cl)cc1)OC(C)C	C5836102
PUBCHEM_780	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1	C17781316
PUBCHEM_780	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_780	O=C(Nc1ccccc1)N(C1CCCC1)Cc1ccc(Cl)cc1	C66063056
PUBCHEM_780	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_780	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_780	Clc1ccc(cc1)C(N1CCN(CC1)CCOCCO)c1ccccc1.Cl	C1244764
PUBCHEM_781	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_781	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_781	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_781	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_782	COc1ccc(cc1)O	C150765
PUBCHEM_782	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_782	COc1ccc(OC)cc1	C150787
PUBCHEM_782	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
PUBCHEM_782	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
PUBCHEM_782	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_782	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_782	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_782	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_782	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
PUBCHEM_782	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
PUBCHEM_782	Oc1ccc(OCCCCCC)cc1	C18979550
PUBCHEM_782	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_782	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_782	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_782	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
PUBCHEM_782	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_782	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
PUBCHEM_782	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_782	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
PUBCHEM_782	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
PUBCHEM_782	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_782	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
PUBCHEM_782	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
PUBCHEM_782	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_782	Oc1ccc(cc1)O	C123319
PUBCHEM_782	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_782	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_782	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_782	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_782	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_782	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_782	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_782	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_782	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_782	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_782	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_782	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_782	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_782	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_782	c1ccccc1Oc1ccc(O)cc1	C831823
PUBCHEM_782	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_782	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_782	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_782	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_782	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
PUBCHEM_782	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_782	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
PUBCHEM_783	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_783	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
PUBCHEM_783	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
PUBCHEM_783	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
PUBCHEM_783	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_783	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_783	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_783	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
PUBCHEM_783	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
PUBCHEM_783	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_783	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_783	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_783	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_783	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_783	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_783	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_783	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_783	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
PUBCHEM_784	Nc1ccc(OC)cc1.Cl	C20265978
PUBCHEM_784	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_784	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_784	Nc1ccc(OCCCCCC)cc1	C39905572
PUBCHEM_784	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_784	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
PUBCHEM_784	O(c1ccc(N)cc1)CC	C156434
PUBCHEM_784	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_784	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_784	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_784	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_784	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_784	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_784	Nc1ccc(cc1)OCCCC	C4344552
PUBCHEM_784	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_784	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
PUBCHEM_784	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
PUBCHEM_784	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_784	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_784	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_784	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_784	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_784	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_784	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_784	c1(ccc(cc1)O)NC(=O)C	C103902
PUBCHEM_784	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_784	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_784	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_784	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_784	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_784	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_784	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
PUBCHEM_784	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_784	Oc1ccc([N+](=O)[O-])cc1	C100027
PUBCHEM_784	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_784	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
PUBCHEM_784	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_784	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
PUBCHEM_784	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_784	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_784	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_784	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_784	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_784	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_784	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_784	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_784	F[C@H](c1ccccc1F)CO[C@H]1CC[C@@H](CC1)Nc1[nH]cnc2c1cnn2	CNOCAS47334
PUBCHEM_784	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
PUBCHEM_784	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_784	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_784	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_784	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_784	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_784	Nc1ccc(OC)cc1	C104949
PUBCHEM_784	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_784	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
PUBCHEM_784	Oc1ccc(cc1)Nc1ccccc1	C122372
PUBCHEM_784	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_784	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_784	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_784	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_784	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_784	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_784	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_784	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_784	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_785	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_785	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_785	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_785	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_785	Oc1ccc(Cl)cc1	C106489
PUBCHEM_785	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_785	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_785	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_785	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_785	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_785	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_785	O=C(COc1ccc(Cl)cc1)O	C122883
PUBCHEM_785	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_785	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_785	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_785	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_785	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_785	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_785	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_785	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
PUBCHEM_785	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_785	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_785	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_785	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_785	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_785	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
PUBCHEM_785	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_785	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_785	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_785	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
PUBCHEM_785	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_785	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_785	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_785	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_785	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_785	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_785	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_785	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_785	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_785	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_785	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_785	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_785	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_785	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_785	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
PUBCHEM_785	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_785	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_785	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_785	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_785	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_786	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_786	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_786	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_786	Brc1ccc(Oc2ccccc2)cc1	C101553
PUBCHEM_786	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
PUBCHEM_786	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_786	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_786	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_786	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_788	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_788	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_788	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1	C118478
PUBCHEM_788	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_788	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_788	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_788	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_788	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_788	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_788	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_788	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_788	O=S(=O)(c1ccc(N2N=C(C)C(N=Nc3ccccc3)C2=O)cc1)[O-].[Na+]	C6359826
PUBCHEM_788	O=C(NS(=O)(=O)c1ccc(N)cc1)OC	C3337711
PUBCHEM_788	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_788	O=S(=O)(c1ccc(cc1)N)c1ccc(cc1)N	C80080
PUBCHEM_788	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_788	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_788	O=C([O-])c1[nH]n(c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]	C1934210
PUBCHEM_788	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_788	c1(S(=O)(=O)N)ccc(n2nc(C(F)(F)F)cc2c2ccc(C)cc2)cc1	C169590425
PUBCHEM_788	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_788	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_788	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_788	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_788	c1(ccc(cc1)Sc1ccc(cc1)N)N	C139651
PUBCHEM_788	Nc1ccc(cc1)S(=O)(=O)NC(=O)C	C144809
PUBCHEM_788	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_788	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_788	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_788	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_789	S(=O)(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	C80079
PUBCHEM_789	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_789	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_789	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_789	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_789	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
PUBCHEM_789	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_789	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_791	N(c1ccc(cc1)N=O)c1ccccc1	C156105
PUBCHEM_791	Nc1ccc(cc1)N	C106503
PUBCHEM_791	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_791	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_791	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_791	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_791	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_791	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_791	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_791	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_791	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_791	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_791	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_791	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_791	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_791	O=[N+](c1ccc(cc1)N)[O-]	C100016
PUBCHEM_791	N(=Nc1ccccc1)c1ccc(N)cc1	C60093
PUBCHEM_791	N(c1ccccc1)c1ccc(N)cc1	C101542
PUBCHEM_791	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_791	CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]	C140567
PUBCHEM_791	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_791	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_791	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_791	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_791	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_791	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_791	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_791	[O-][N+](=O)c1ccc(Nc2ccccc2)cc1	C836306
PUBCHEM_791	CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1	C15233473
PUBCHEM_791	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_791	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_791	Nc1ccc(N(c2ccccc2)C(C)CC(C)C)cc1	C61931826
PUBCHEM_792	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_792	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_792	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_792	Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	C35367385
PUBCHEM_792	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_792	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.O=C(C)O.O=C(C)O	C56951
PUBCHEM_792	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_792	O=C(N)Nc1ccc(Cl)cc1	C140385
PUBCHEM_792	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_792	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_792	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_792	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_792	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_792	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_792	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_792	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_792	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_792	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_792	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_792	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_792	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_792	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_792	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_792	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_792	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_792	O=[N+](c1ccc(cc1)Cl)[O-]	C100005
PUBCHEM_792	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_792	Nc1ccc(cc1)Cl	C106478
PUBCHEM_792	O=C(N(C)C)Nc1ccc(cc1)Cl	C150685
PUBCHEM_792	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_792	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_792	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_792	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_792	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_792	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_792	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_792	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_792	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_792	Clc1ccc(N)cc1.Cl	C20265967
PUBCHEM_792	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_792	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	C55561
PUBCHEM_792	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_792	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_792	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_792	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_792	N=C(Nc1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl	C3697425
PUBCHEM_793	Nc1ccc(Br)cc1	C106401
PUBCHEM_793	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_793	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_794	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_794	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_794	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_794	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_794	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_794	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_794	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_794	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_794	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_794	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_794	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_794	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_794	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_794	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_794	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_794	Clc1ccc(cc1)Cl	C106467
PUBCHEM_794	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_794	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_794	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_794	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_794	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_794	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_794	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_794	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_794	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_794	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_794	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_794	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_794	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_794	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_796	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_797	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_797	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_797	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_797	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_797	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_797	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_797	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_797	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_797	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_797	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_797	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_797	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_797	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_797	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_797	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_797	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_797	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_797	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_797	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_797	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_797	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_797	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_797	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_797	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_797	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_797	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_797	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_797	c1c(C(C)(C)C#N)cc(C(C)(C)C#N)cc1Cn1ncnc1	C120511731
PUBCHEM_797	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_797	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_797	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_797	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_797	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_797	C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1	C66819
PUBCHEM_797	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_797	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_797	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_797	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_797	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_797	Cc1cccc(C)c1	C108383
PUBCHEM_797	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_797	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_797	ClC(=O)c1cc(C(=O)Cl)ccc1	C99638
PUBCHEM_797	O=C(OC)c1cccc(C(=O)OC)c1	C1459934
PUBCHEM_797	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_797	Nc1c(C)cccc1CC	C24549062
PUBCHEM_797	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_797	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_797	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_797	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_797	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_797	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_797	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_797	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_797	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_797	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_797	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_797	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_797	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_797	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_797	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_797	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_797	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_797	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_797	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_797	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_797	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_797	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_797	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_797	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_797	CC(C)c1cc(C(C)C)cc(C(C)C)c1	C717748
PUBCHEM_797	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_797	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_797	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_797	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_797	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_797	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_797	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_797	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_797	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_797	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_797	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_797	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_797	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_797	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_797	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_797	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_797	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_797	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_797	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_797	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_797	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_797	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_797	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_797	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_797	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_797	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_797	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_797	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_797	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_797	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_797	CCN(CC)C(=O)c1cccc(C)c1	C134623
PUBCHEM_797	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_797	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_797	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_797	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_797	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_797	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_797	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_797	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_797	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_797	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_797	O=C(N(C(C)(C)C)NC(=O)c1ccc(CC)cc1)c1cc(C)cc(C)c1	C112410238
PUBCHEM_797	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_797	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_797	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_797	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_797	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_797	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_797	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_797	Cc1cc2cccnc2cc1	C91623
PUBCHEM_797	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_797	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_797	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_797	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_797	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_797	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_797	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_797	OC(=O)c1cc(C(=O)O)ccc1	C121915
PUBCHEM_797	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_797	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_797	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_797	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_797	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_797	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_797	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_797	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_797	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_797	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_797	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_797	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_797	Oc1c(cccc1C)C	C576261
PUBCHEM_797	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_797	Cn1cc(c(=O)c(c1)c1cc(ccc1)C(F)(F)F)c1ccccc1	C59756604
PUBCHEM_797	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_797	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_797	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_797	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_797	Nc1c(cccc1C)C	C87627
PUBCHEM_797	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_797	CC(C)c1cccc(C(C)C)c1	C99627
PUBCHEM_797	Cc1cc(C)cc(C)c1	C108678
PUBCHEM_797	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_797	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_797	Nc1c(CC)cccc1CC	C579668
PUBCHEM_797	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_797	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_797	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
PUBCHEM_797	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_797	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_797	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_797	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_797	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_797	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_797	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_797	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_797	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_797	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_797	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_797	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_797	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_797	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_797	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_797	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_797	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_797	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_797	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_797	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_797	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_797	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_797	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_797	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_797	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_797	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_797	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_797	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_797	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_797	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	C725228455
PUBCHEM_797	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_797	NCc1ccc(F)c(C2CCN(C(=O)c3c(C)c(Br)c(OCCC)s3)CC2)c1.Cl	CNOCAS47381
PUBCHEM_797	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_797	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_797	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_797	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_797	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_797	NCc1cccc(CN)c1	C1477550
PUBCHEM_797	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_797	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_797	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_797	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_797	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_797	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_797	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_797	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_797	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_797	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_797	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_797	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_797	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_797	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_797	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_797	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_797	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_797	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_797	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_797	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_797	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_797	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_797	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_797	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_797	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_797	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_797	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_797	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_797	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_797	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_797	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_797	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_797	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_797	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_797	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_797	N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1	C1470797
PUBCHEM_797	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_797	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_797	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_797	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_797	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_798	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
PUBCHEM_798	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_798	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_798	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
PUBCHEM_798	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_798	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_798	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_798	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_798	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_798	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_798	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_798	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_798	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_798	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_798	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_798	Oc1cccc2ccccc12	C90153
PUBCHEM_798	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_798	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_798	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_798	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_798	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_798	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_798	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_798	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_798	c1c(O)cccc1CC	C620177
PUBCHEM_798	Cc1cc(O)ccc1	C108394
PUBCHEM_798	Cc1c(C)cccc1O	C526750
PUBCHEM_798	Cc1cc(C)cc(O)c1	C108689
PUBCHEM_798	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_798	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_798	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_798	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_798	Oc1ccc2ccccc2c1	C135193
PUBCHEM_798	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_798	O=C(OCC1CC2OC2CC1)C1CC2OC2CC1	C2386870
PUBCHEM_798	OCc1cccc(Oc2ccccc2)c1	C13826352
PUBCHEM_798	BrCc1cccc(Oc2ccccc2)c1	C51632167
PUBCHEM_798	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_798	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_798	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
PUBCHEM_798	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
PUBCHEM_798	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_798	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_798	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_798	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_798	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_798	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_798	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_798	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_798	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_798	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_798	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_798	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_798	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_798	OC1CC(C)(C)CC(C)C1	C116029
PUBCHEM_798	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_798	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_798	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_798	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_798	Oc1cc(C(C)C)ccc1	C618451
PUBCHEM_798	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_798	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_798	Oc1cc(C(C)(C)C)ccc1	C585342
PUBCHEM_798	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_798	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_798	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
PUBCHEM_798	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_798	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_798	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_798	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_798	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_798	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_798	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_798	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
PUBCHEM_798	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_798	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
PUBCHEM_798	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
PUBCHEM_798	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_798	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_798	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_798	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_798	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_798	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_798	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
PUBCHEM_798	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_798	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_798	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_798	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_798	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_798	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_798	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
PUBCHEM_798	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_798	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_798	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_798	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_798	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_798	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_798	O1C2C1CCC(C2)C1CO1	C106876
PUBCHEM_798	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_798	Oc1cccc2cccnc12	C148243
PUBCHEM_798	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_798	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_798	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_798	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_798	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_798	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_798	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_798	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_798	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_798	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_798	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_798	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_798	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_798	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_798	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_798	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_798	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_798	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_798	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_798	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_798	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_798	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_798	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_798	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_798	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_798	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_798	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_798	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_798	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_798	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_798	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
PUBCHEM_798	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_798	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_798	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
PUBCHEM_798	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_798	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_798	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_798	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_798	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_798	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_798	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_798	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_798	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_798	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_798	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_798	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_798	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_798	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_798	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_798	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
PUBCHEM_798	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_798	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_798	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
PUBCHEM_798	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_798	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_798	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_798	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_798	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_798	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_798	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_798	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_798	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_798	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_798	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_798	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_798	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_798	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_798	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_798	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_798	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_798	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_798	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_798	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_798	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_798	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_798	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_798	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_798	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_798	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_798	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_798	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_798	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_798	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_798	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_798	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_798	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_798	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_798	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_798	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_798	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_798	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_798	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_798	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_798	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_798	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_798	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_798	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_798	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_798	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_798	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_798	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_798	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_798	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_799	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_799	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_799	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_799	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_799	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_799	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_799	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_799	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_799	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_799	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_799	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_799	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_799	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_799	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_799	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_799	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_799	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_799	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_799	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_799	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_799	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_799	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_799	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_799	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_799	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_799	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_799	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_799	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_799	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_799	NC(=O)C1(CCOCC1)c1cc(Sc2ccc(n3c(C)ncc3)cc2)ccc1.O=S(=O)(O)C	C249296433
PUBCHEM_799	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_799	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_799	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_799	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_799	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_799	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_799	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_799	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_799	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_799	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_799	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_799	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_799	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_799	O=S(=O)(c1cccc(CN(c2ccccc2)CC)c1)O	C101111
PUBCHEM_799	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_799	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_800	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_800	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_800	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_800	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_800	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_800	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_800	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_800	c1c(I)c(N)c(I)c(CC(C(=O)O)CC)c1I	C96833
PUBCHEM_800	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_800	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_800	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_800	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_800	Nc1cccc(C)c1C	C1300738
PUBCHEM_800	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_800	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_800	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_800	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_800	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_800	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_800	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_800	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_800	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_800	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_800	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_800	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_800	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_800	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_800	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_800	O=C(Nc1cccc(c1)C(F)(F)F)N(C)C	C2164172
PUBCHEM_800	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_800	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_800	FC(F)(F)c1cc(ccc1)n1ncc(NC)c(Cl)c1=O	C27314132
PUBCHEM_800	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_800	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_800	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_800	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_800	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_800	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_800	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_800	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_800	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_800	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_800	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_800	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_800	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_800	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_800	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_800	Nc1cc(ccc1OC)C	C120718
PUBCHEM_800	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_800	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_800	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_800	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_800	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_800	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_800	Cc1cc([N+](=O)[O-])ccc1	C99081
PUBCHEM_800	CCNc1cc(C)ccc1	C102272
PUBCHEM_800	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_800	O=C=NC1CC(C)(CN=C=O)CC(C)(C)C1	C4098719
PUBCHEM_800	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_800	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_800	Nc1cc(C)ccc1N	C496720
PUBCHEM_800	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_800	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_800	Nc1cccc(C)c1	C108441
PUBCHEM_800	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_800	Nc1cccc(C)c1N	C2687254
PUBCHEM_800	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_800	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_800	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_800	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_800	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_800	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_800	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_800	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_800	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_800	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_800	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_800	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_800	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_800	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_800	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_800	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_800	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_800	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_800	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_800	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_800	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_800	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_800	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_800	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_800	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_800	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_800	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_800	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_800	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_800	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_800	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_800	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_800	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_800	C(=O)(O)c1cccc(c1)[N+](=O)[O-]	C121926
PUBCHEM_800	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_800	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_800	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_800	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_800	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_800	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_800	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_800	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_800	S=C(Nc1cc(C)ccc1)N(C)C	C21540352
PUBCHEM_800	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_800	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_800	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_800	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_800	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_800	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_800	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_800	[O-][N+](=O)c1cccc(C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OCCN(C)Cc2ccccc2)c1.Cl	C54527843
PUBCHEM_801	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_801	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_801	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_801	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_801	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_801	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_801	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_801	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_801	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_801	Clc1cccc(C)c1	C25168052
PUBCHEM_801	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_801	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_801	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_801	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_801	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_801	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_801	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_801	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_801	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_801	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_801	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_801	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_801	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_801	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_801	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_801	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_801	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_801	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_801	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_801	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_801	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_801	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_801	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_801	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_801	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_801	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_801	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_801	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_801	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_801	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_801	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_801	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_801	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_801	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_801	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_801	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_801	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_801	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_801	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_801	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_801	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_801	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_801	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_801	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_801	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_801	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_801	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_802	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_802	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_802	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_802	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_802	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_802	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_802	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_802	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_802	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_802	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_802	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_802	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_803	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_803	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_803	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_803	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_803	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_803	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_803	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_803	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_803	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_803	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_803	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_803	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_803	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_803	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_803	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_803	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_803	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_803	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_803	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_803	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_803	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_803	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_803	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_803	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_803	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_803	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_803	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_803	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_803	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_803	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_803	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_803	Oc1cc(ccc1)O	C108463
PUBCHEM_803	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_803	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_803	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_803	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_803	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_803	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_803	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_803	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_803	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
PUBCHEM_803	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_803	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_803	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_803	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_803	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_803	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_803	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_803	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_803	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_803	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_803	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_803	CCCCCc1cc(O)cc(O)c1	C500663
PUBCHEM_803	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_803	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
PUBCHEM_803	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_803	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_803	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_803	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_803	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_804	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_804	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_804	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_804	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_804	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_804	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_804	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_804	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_804	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_804	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_805	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_805	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
PUBCHEM_805	N(C)(C)c1cccc(O)c1	C99070
PUBCHEM_805	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
PUBCHEM_805	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_805	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_805	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_805	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_805	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_805	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_805	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_805	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
PUBCHEM_805	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_805	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_805	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_805	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_805	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_805	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_805	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_805	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_805	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_805	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_805	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_805	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_805	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_805	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_805	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_805	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_805	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_805	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_805	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
PUBCHEM_806	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_806	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_806	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_806	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_806	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_806	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_806	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_806	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_806	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_806	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_806	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_806	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_806	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_806	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
PUBCHEM_806	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_806	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_806	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_806	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_806	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_806	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_806	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_806	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_806	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_808	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_808	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_808	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_808	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_808	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_808	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_809	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_809	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_809	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_809	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_809	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_809	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_809	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_809	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_809	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_809	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_809	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_809	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_809	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_809	Nc1cccc(S(=O)(=O)c2cc(N)ccc2)c1	C599611
PUBCHEM_810	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_810	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_810	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_810	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_810	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_810	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_812	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_812	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_812	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_812	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_812	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_812	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_812	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_812	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_812	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_812	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_812	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_812	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_812	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_812	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_812	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_812	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_812	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_812	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_812	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_812	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_812	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_812	Nc1cc(ccc1)N	C108452
PUBCHEM_812	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_812	[O-][N+](=O)c1cccc([N+](=O)[O-])c1	C99650
PUBCHEM_812	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_812	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_812	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_812	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_812	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_812	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_812	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_812	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_812	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_812	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_812	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_812	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_812	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_812	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_812	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_812	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_812	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_812	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_812	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_812	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_812	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_813	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_813	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_813	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_813	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_813	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_813	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_813	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_813	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_813	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_813	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_813	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_813	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_813	O=C(Nc1cccc(c1)Cl)OC(C)C	C101213
PUBCHEM_813	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_813	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_813	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_813	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_813	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_813	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_813	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_813	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_813	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_813	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_813	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_813	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_813	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_813	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_813	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_813	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_813	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_813	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_813	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_813	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_813	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_813	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_813	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_813	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_813	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_813	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_813	N#CC(=NNc1cc(Cl)ccc1)C#N	C555602
PUBCHEM_813	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_813	O=C(OCC#CCCl)Nc1cccc(Cl)c1	C101279
PUBCHEM_813	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_813	O=C(OC(C)C)C(C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1	C52756226
PUBCHEM_813	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_813	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_815	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_815	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_815	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_815	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_815	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_815	N1(C(=O)OC(C1=O)(C=C)C)c1cc(Cl)cc(c1)Cl	C50471448
PUBCHEM_815	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_815	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_815	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_815	Nc1cc(Cl)cc(Cl)c1	C626437
PUBCHEM_815	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_815	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_815	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_815	O=C1C2(C)C(C2)(C)C(=O)N1c1cc(Cl)cc(Cl)c1	C32809168
PUBCHEM_815	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_815	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_815	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_815	CC(NC(=O)c1cc(cc(c1)Cl)Cl)(C#C)C	C23950585
PUBCHEM_815	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_815	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_815	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_815	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_815	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_815	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_815	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_815	O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)CN1C(=O)NC(C)C	C36734197
PUBCHEM_815	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_815	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_815	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_815	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_815	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_815	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_815	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_815	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_815	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_815	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_815	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_815	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_815	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_815	O=C1OC2(C(=C1c1cc(Cl)cc(Cl)c1)OC(=O)C(CC)(C)C)CCCCC2	C148477718
PUBCHEM_815	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_815	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_815	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_815	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_815	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_815	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_815	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_815	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_815	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_815	Clc1cc(Cl)ccc1	C541731
PUBCHEM_815	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_815	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_815	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_815	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_815	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_815	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_815	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_815	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_815	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_815	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_815	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_815	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_815	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_815	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_815	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_815	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_815	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_815	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_815	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_815	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_815	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_815	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_815	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_815	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_815	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_816	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_816	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_817	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_817	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_817	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_817	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_817	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_817	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_817	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_817	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_817	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_817	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_817	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_817	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_818	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_818	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_818	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_818	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_818	c1c2ccc3ccccc3c2cc2ccc3c(c12)cccc3	C53703
PUBCHEM_818	O=C1c2c(cccc2)C(=O)C(=C1Cl)Cl	C117806
PUBCHEM_818	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_818	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_818	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_818	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_818	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_818	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_818	OC(=O)Cc1c2c(ccc1)cccc2	C86873
PUBCHEM_818	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_818	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_818	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_818	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_818	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_818	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_818	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_818	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_818	c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC	C84742
PUBCHEM_818	Oc1cccc2ccccc12	C90153
PUBCHEM_818	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_818	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_818	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_818	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_818	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_818	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_818	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
PUBCHEM_818	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_818	O=S(=O)(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(F)cc1	C90357065
PUBCHEM_818	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_818	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_818	c12cc3ccc4ccccc4c3cc1cccc2	C56553
PUBCHEM_818	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_818	O=C(OC1CCCCC1)c1c(cccc1)C(=O)OC1CCCCC1	C84617
PUBCHEM_818	c1ccc2c(c1)c(c(cc2)C)C	C28804888
PUBCHEM_818	Cc1c(C)cccc1O	C526750
PUBCHEM_818	C=Cc1ccccc1C=C	C1321740
PUBCHEM_818	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_818	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
PUBCHEM_818	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_818	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_818	c12ccccc1CCCC2	C119642
PUBCHEM_818	O=C1OC(=O)c2ccc(cc12)C(=O)O	C552307
PUBCHEM_818	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_818	O=C1c2c(cccc2)C(=O)N1	C85416
PUBCHEM_818	Oc1ccc2ccccc2c1	C135193
PUBCHEM_818	O=C1c2c(cccc2)C(=O)N1C	C550447
PUBCHEM_818	Nc1cccc(C)c1C	C1300738
PUBCHEM_818	O=C1c2c(cccc2)C(=O)N1SC1CCCCC1	C17796826
PUBCHEM_818	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_818	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_818	c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C	C68515480
PUBCHEM_818	Cc1cc(C)c(C)cc1C	C95932
PUBCHEM_818	CC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1	C1742149
PUBCHEM_818	O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC	C85507795
PUBCHEM_818	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_818	O=C(OC)c1c(C2=NC(=O)C(N2)(C(C)C)C)cc(C)cc1	C81405858
PUBCHEM_818	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_818	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_818	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_818	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_818	O=C(Cc1cccc2c1cccc2)OCC	C2122705
PUBCHEM_818	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_818	O=C(CC(C)(C)C)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC21CCCC2	C283594901
PUBCHEM_818	CC(C)c1cc2c(cc1)cc(C(C)C)cc2	C24157811
PUBCHEM_818	Cc1ccc(C)c2c1cccc2	C571584
PUBCHEM_818	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
PUBCHEM_818	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_818	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_818	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_818	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
PUBCHEM_818	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_818	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_818	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_818	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_818	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_818	O=C(OCC)c1c(C)cccc1	C87241
PUBCHEM_818	O=C(OC(C)C)c1ccccc1C(=O)OC(C)C	C605458
PUBCHEM_818	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_818	CC1(C)[C@H]2C[C@@H]1CCC2=C	C18172673
PUBCHEM_818	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_818	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_818	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_818	O=C(C)c1cc2ccccc2cc1	C93083
PUBCHEM_818	O=S(=O)(c1cc2c(cc1)cccc2)[O-].[Na+]	C532025
PUBCHEM_818	O=C(C)c1cc2c(C(C)(C)C(C)CC2(C)C)cc1C	C1506021
PUBCHEM_818	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_818	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_818	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_818	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_818	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_818	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_818	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_818	c12ccccc1CC=C2	C95136
PUBCHEM_818	[O-]C(=O)c1ccccc1C(=O)O.[K+]	C877247
PUBCHEM_818	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_818	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_818	O=C([O-])[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1.[Na+]	C14351667
PUBCHEM_818	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_818	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_818	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_818	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_818	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_818	O=S(=O)(c1cc2c(cc1)cccc2)O	C120183
PUBCHEM_818	O=C(OCC=C)c1ccc(C(=O)OCC=C)cc1C(=O)OCC=C	C2694544
PUBCHEM_818	O=C(OCCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1	C36631308
PUBCHEM_818	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_818	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_818	O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC	C119073
PUBCHEM_818	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_818	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_818	O=C(OC)[C@@]1(C)[C@H]2[C@@](CCC1)(C)[C@@H]1C(=CC2)C=C(C(C)C)CC1	C127253
PUBCHEM_818	O=C(O)c1c(C)cc(C)cc1C	C480637
PUBCHEM_818	O=C(OC)c1c(C)cccc1	C89714
PUBCHEM_818	O=C(OCc1cccc(c2ccccc2)c1C)C1C(C)(C)C1/C=C(\Cl)/C(F)(F)F	C82657043
PUBCHEM_818	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_818	O=C(c1c(cccc1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	C117817
PUBCHEM_818	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_818	O=C1N(C(=O)c2c1cccc2)SC(Cl)(Cl)Cl	C133073
PUBCHEM_818	c1(c(C(=O)OC)cccc1)C(=O)OC	C131113
PUBCHEM_818	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_818	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
PUBCHEM_818	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_818	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_818	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	C4376209
PUBCHEM_818	CC(=NOCc1c(C(=NOC)C(=O)OC)cccc1)c1cc(C(F)(F)F)ccc1	C141517217
PUBCHEM_818	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_818	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_818	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_818	O=C1C(=C(O)CC(c2c(C)cc(C)cc2C)C1)C(=NOCC)CC	C87820880
PUBCHEM_818	O=C(OC)c1ccccc1C(=O)O	C4376185
PUBCHEM_818	O=C(OCCCC)c1ccccc1C(=O)O	C131704
PUBCHEM_818	O=C1c2cc(ccc2C(=O)c2c1cccc2)N	C117793
PUBCHEM_818	c1(c(cccc1)C(=O)OCCCC)C(=O)OCc1ccccc1	C85687
PUBCHEM_818	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_818	O=C(c1c(cccc1)C(=O)OCC=C)OCC=C	C131179
PUBCHEM_818	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_818	Cc1c2ccccc2c(c2ccc3c(c12)cccc3)C	C57976
PUBCHEM_818	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_818	Cc1c2c(ccc1)cccc2	C90120
PUBCHEM_818	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_818	c1c2c(ccc1)cccc2	C91203
PUBCHEM_818	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_818	Nc1cc2c(cccc2)cc1	C91598
PUBCHEM_818	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_818	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
PUBCHEM_818	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_818	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_818	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_818	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_818	Cc1c(ccc(c1)C)C	C95636
PUBCHEM_818	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_818	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_818	CCOC(=O)c1ccccc1C(=O)OCC	C84662
PUBCHEM_818	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	C117840
PUBCHEM_818	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_818	c1(c(C(=O)OCC(C)C)cccc1)C(=O)OCC(C)C	C84695
PUBCHEM_818	N1(C(=O)c2ccccc2C1=O)C1C(=O)NC(=O)CC1	C50351
PUBCHEM_818	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_818	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_818	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_818	c1cc2cccc3C=Cc(c1)c23	C208968
PUBCHEM_818	c1ccc2cc3ccccc3cc2c1	C120127
PUBCHEM_818	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_818	Oc1cc(C)c(C)cc1	C95658
PUBCHEM_818	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_818	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_818	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_818	c1cc2c(cc1)c1c(cccc1)cc2	C85018
PUBCHEM_818	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	C732116
PUBCHEM_818	c12cccc3c1c1c(cccc1cc3)cc2	C129000
PUBCHEM_818	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_818	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_818	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_818	O=C(OCCCCCC)c1c(cccc1)C(=O)OCCCCCC	C84753
PUBCHEM_818	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_818	Cc1ccc(cc1C)[N+](=O)[O-]	C99514
PUBCHEM_818	O=C(OCC(CCCC)CC)c1ccc(c(C(=O)OCC(CCCC)CC)c1)C(=O)OCC(CCCC)CC	C3319311
PUBCHEM_818	[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-]	C1300727
PUBCHEM_818	O=C(OCCCCCCC(C)C)c1ccc(C(=O)OCCCCCCC(C)C)cc1C(=O)OCCCCCCC(C)C	C53894238
PUBCHEM_818	O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C	C68515491
PUBCHEM_818	O=C(OCCCCC)c1ccccc1C(=O)OCCCCC	C131180
PUBCHEM_818	O=Cc1ccccc1C=O	C643798
PUBCHEM_818	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_818	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_818	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_818	O=C(OCc1ccccc1)c1ccccc1C(=O)O	C2528167
PUBCHEM_818	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_818	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_818	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_818	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_818	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_818	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_818	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_818	NC(=O)CN(c1cc(C(F)(F)F)c(C#N)cc1)CC(F)(F)F	C864283487
PUBCHEM_818	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_818	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_818	O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC1)CCN1CCc2ccc(c3noc(C)n3)cc2CC1.Cl	CNOCAS47325
PUBCHEM_818	OC(c1nc2ncc(c3cc(c4c(C#N)cccc4F)c(F)cc3)n2nc1)(C)C	CNOCAS47330
PUBCHEM_818	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_818	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
PUBCHEM_818	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_818	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_818	OC(=O)[C@H]1N2[C@H](CCC1)c1ccccc1C[C@H](NC(=O)[C@@H](SC(=O)C)C(C)C)C2=O	C473289622
PUBCHEM_818	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
PUBCHEM_818	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_818	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_818	O=C(OCCCCCCC(C)C)C1C(C(=O)OCCCCCCC(C)C)CCCC1	C166412788
PUBCHEM_818	O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCC	C89043
PUBCHEM_818	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_818	O=C(/C(=C/OC)/c1c(COc2nc(C(F)(F)F)ccc2)cccc1)OC	C117428225
PUBCHEM_818	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_818	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
PUBCHEM_818	CCCCc1nc2c(nccc2)n1Cc1ccc(c2ccccc2c2nnn[n-]2)cc1.[Na+]	C136042198
PUBCHEM_818	O=C1c2c(cccc2)C(=O)N1CCc1noc(c2ccc(CN3CCCCCC3)s2)n1.O=C(O)/C=C/C(=O)O	CNOCAS48172
PUBCHEM_818	O=C(N(C)c1cnc(N2[C@H](CO)[C@H](O)CC2)cc1c1ccc(F)cc1C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C)C	C825643570
PUBCHEM_818	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_818	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_818	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc1ccccc1C(=O)OC	C83055996
PUBCHEM_818	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_818	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_818	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_818	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_818	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_818	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_818	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_818	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_818	c1ccc2c(c1)C(=O)C(=CC2=O)C	C58275
PUBCHEM_818	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_818	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_818	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_818	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_818	C1(=C2c3c(CCc4c2ccc(Cl)c4)cccn3)CCN(C(=O)OCC)CC1	C79794755
PUBCHEM_818	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_818	Nc1ccc2cc3ccccc3cc2c1	C613138
PUBCHEM_818	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_818	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_818	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_818	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_818	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_818	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_818	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_818	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_818	N=C1c2c(cc3c(cccc3)c2)C(=N)N1	C65558692
PUBCHEM_818	CN(C)CC/C=C\1/c2ccccc2CCc2c1cccc2.Cl	C549188
PUBCHEM_818	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_818	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_818	O=C1c2c(cccc2)C(=O)N1C(CCl)SP(=S)(OCC)OCC	C10311849
PUBCHEM_818	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_818	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_818	N#Cc1c(C#N)sc2=c(c(=O)c3c(c2=O)cccc3)s1	C3347226
PUBCHEM_818	OC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C	C153559490
PUBCHEM_818	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_818	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_818	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
PUBCHEM_818	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_818	CNCCCC12c3c(cccc3)C(c3c1cccc3)CC2.Cl	C10347816
PUBCHEM_818	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_818	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_818	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_818	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_818	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_818	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_818	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_818	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_818	OC(=O)C.NC[C@@]1(C)[C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C	C2026246
PUBCHEM_818	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_818	O=C(C)c1cc2c(cc1)CCCC2	C774550
PUBCHEM_818	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_818	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_819	CC(c1c(ccc(c1)C)O)(C)C	C2409554
PUBCHEM_819	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
PUBCHEM_819	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
PUBCHEM_819	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
PUBCHEM_819	C1[C@H](C[C@H]([C@@H](C1)C(C)C)O)C	C89781
PUBCHEM_819	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
PUBCHEM_819	Cc1coc2c1CCC(C2)C.CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC(=C(C)C)C(=O)C1	C8006904
PUBCHEM_819	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
PUBCHEM_819	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_819	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_819	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
PUBCHEM_819	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
PUBCHEM_819	c1(O)ccccc1C(=O)N	C65452
PUBCHEM_819	O=Cc1ccccc1O	C90028
PUBCHEM_819	Oc1cccc2ccccc12	C90153
PUBCHEM_819	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
PUBCHEM_819	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
PUBCHEM_819	c1ccccc1c1cc(=O)c2ccccc2o1	C525826
PUBCHEM_819	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
PUBCHEM_819	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
PUBCHEM_819	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
PUBCHEM_819	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
PUBCHEM_819	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
PUBCHEM_819	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
PUBCHEM_819	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
PUBCHEM_819	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
PUBCHEM_819	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
PUBCHEM_819	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_819	c1(c(CC)cccc1)O	C90006
PUBCHEM_819	c1(c(ccc(c1)Cl)O)C	C1570645
PUBCHEM_819	c1(C(C)C)cccc(C(C)C)c1O	C2078548
PUBCHEM_819	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
PUBCHEM_819	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
PUBCHEM_819	O=C(OCc1ccccc1)c1ccccc1O	C118581
PUBCHEM_819	Cc1c(C)cccc1O	C526750
PUBCHEM_819	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_819	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
PUBCHEM_819	O=C(O)c1ccccc1O	C69727
PUBCHEM_819	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
PUBCHEM_819	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_819	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
PUBCHEM_819	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
PUBCHEM_819	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
PUBCHEM_819	OC1CC(CCC1C(C)C)C	C1490046
PUBCHEM_819	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
PUBCHEM_819	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
PUBCHEM_819	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
PUBCHEM_819	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
PUBCHEM_819	O=c1oc2ccccc2c([O-])c1C(c1ccccc1)CC(=O)C.[Na+]	C129066
PUBCHEM_819	O=C(C)OC1C(C(C)(C)C)CCCC1	C88415
PUBCHEM_819	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
PUBCHEM_819	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
PUBCHEM_819	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
PUBCHEM_819	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
PUBCHEM_819	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
PUBCHEM_819	O=C(O)c1ccccc1OCCCCCC	C6259763
PUBCHEM_819	O=C(c1ccccc1O)C	C118934
PUBCHEM_819	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_819	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_819	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
PUBCHEM_819	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
PUBCHEM_819	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
PUBCHEM_819	Oc1ccccc1CN(C)C	C120650
PUBCHEM_819	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_819	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
PUBCHEM_819	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
PUBCHEM_819	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
PUBCHEM_819	O=c1oc2cc(N(C)C)ccc2c(C)c1	C87014
PUBCHEM_819	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
PUBCHEM_819	N#Cc1c(O)cccc1	C611201
PUBCHEM_819	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_819	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_819	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_819	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_819	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_819	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_819	Oc1cc(C(C)C)ccc1C	C499752
PUBCHEM_819	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
PUBCHEM_819	O=C(O)c1c(cccc1)c1c2c(cc(N(CC)CC)cc2)[o+]c2c1ccc(N(CC)CC)c2.[Cl-]	C81889
PUBCHEM_819	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_819	Oc1c(C(C)C)cccc1	C88697
PUBCHEM_819	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_819	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_819	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_819	O=C(c1ccccc1)c1ccccc1O	C117997
PUBCHEM_819	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_819	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
PUBCHEM_819	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
PUBCHEM_819	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
PUBCHEM_819	Oc1c(cccc1)c1ccccc1	C90437
PUBCHEM_819	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_819	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
PUBCHEM_819	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_819	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
PUBCHEM_819	O=C(O)COc1c(C)cc(Cl)cc1	C94746
PUBCHEM_819	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
PUBCHEM_819	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_819	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
PUBCHEM_819	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
PUBCHEM_819	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_819	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
PUBCHEM_819	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
PUBCHEM_819	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_819	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_819	OC(=O)c1c(cccc1)OC(=O)C	C50782
PUBCHEM_819	c1coc2c1cccc2	C271896
PUBCHEM_819	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_819	CC(C)(C)c1cc(O)ccc1O	C1948330
PUBCHEM_819	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_819	O=c1oc2c(cccc2)cc1	C91645
PUBCHEM_819	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_819	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_819	Oc1c(ccc(c1)O)CCCCCC	C136776
PUBCHEM_819	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
PUBCHEM_819	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_819	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_819	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_819	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
PUBCHEM_819	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
PUBCHEM_819	Oc1c(C)cccc1	C95487
PUBCHEM_819	Oc1c(C)cc(C)cc1	C105679
PUBCHEM_819	c1cccc2c3ccccc3oc12	C132649
PUBCHEM_819	Oc1c(C)cc(C)cc1C	C527606
PUBCHEM_819	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_819	Oc1c(C)c(C)ccc1C	C2416946
PUBCHEM_819	c1(c(O)cccc1)C(CC)C	C89725
PUBCHEM_819	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_819	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
PUBCHEM_819	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
PUBCHEM_819	c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccccc1)c2O	C81812
PUBCHEM_819	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_819	Oc1c(cccc1C)C	C576261
PUBCHEM_819	O=C(O)C1C(C2CCC1O2)C(=O)O	C145733
PUBCHEM_819	Oc1c(ccc(N)c1)C	C2835952
PUBCHEM_819	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
PUBCHEM_819	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_819	Oc1c(ccc(C)c1)C	C95874
PUBCHEM_819	O=C(OC)c1c(O)cccc1	C119368
PUBCHEM_819	Oc1c(C(C)(C)C)cccc1	C88186
PUBCHEM_819	Oc1c(C(C)(C)C)ccc(C)c1	C88608
PUBCHEM_819	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
PUBCHEM_819	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
PUBCHEM_819	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
PUBCHEM_819	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
PUBCHEM_819	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
PUBCHEM_819	Oc1cc(C)ccc1C(C)C	C89838
PUBCHEM_819	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
PUBCHEM_819	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
PUBCHEM_819	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_819	Oc1ccc(cc1C(C)(C)C)OC	C121006
PUBCHEM_819	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
PUBCHEM_819	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
PUBCHEM_819	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
PUBCHEM_819	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_819	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
PUBCHEM_819	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_819	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
PUBCHEM_819	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_819	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_819	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
PUBCHEM_819	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_819	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_819	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
PUBCHEM_819	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_819	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_819	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
PUBCHEM_819	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
PUBCHEM_819	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
PUBCHEM_819	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
PUBCHEM_819	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_819	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
PUBCHEM_819	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_819	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
PUBCHEM_819	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_819	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_819	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_819	Oc1cc2c(cccc2)c2ccccc12	C484173
PUBCHEM_819	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
PUBCHEM_819	O=C(Nc1c(F)cc(F)cc1F)N(Cc1c(c2ccc(Cl)cc2)c2c(ccc(C)c2)o1)Cc1ccccc1	C146011656
PUBCHEM_819	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_819	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_819	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_819	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
PUBCHEM_819	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_819	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_819	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_819	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_819	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_819	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
PUBCHEM_819	c1ccccc1NC(=O)c1c(O)cccc1	C87172
PUBCHEM_819	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_819	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
PUBCHEM_819	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_819	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_819	Cc1cc(=O)oc2cc(ccc12)N(CC)CC	C91441
PUBCHEM_819	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
PUBCHEM_819	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
PUBCHEM_819	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_819	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_819	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_819	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
PUBCHEM_819	O=C(O)c1cc2c(cc1O)cccc2	C92706
PUBCHEM_819	O=c1c(C(c2ccccc2)CC(O)c2ccc(cc2)c2ccc(Br)cc2)c(O)c2ccccc2o1	C28772567
PUBCHEM_819	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
PUBCHEM_819	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_819	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_819	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_819	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_819	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
PUBCHEM_819	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
PUBCHEM_819	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_819	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
PUBCHEM_819	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_819	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_819	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_819	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
PUBCHEM_819	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
PUBCHEM_819	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_819	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_819	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
PUBCHEM_819	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_819	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
PUBCHEM_819	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_819	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
PUBCHEM_819	O[C@@]1(C)[C@H](CC[C@](O)(C)C=C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C	C515037
PUBCHEM_820	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
PUBCHEM_820	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_820	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_820	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_820	c12c(C(=O)NS1(=O)=O)cccc2	C81072
PUBCHEM_820	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
PUBCHEM_820	[Na+].CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1)CC	C129179
PUBCHEM_820	O=S(=O)(c1cccc(C)c1C)[O-].[NH4+]	C26447109
PUBCHEM_820	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
PUBCHEM_820	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_820	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_820	O=C(c1c(O)n(C)nc1)c1c(C)c(C2=NOCC2)c(S(=O)(=O)C)cc1	C210631688
PUBCHEM_820	O=S(=O)(c1ccccc1/C=C/c1ccc(cc1)c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]	C27344418
PUBCHEM_820	O=S(=O)(c1ccc(C)cc1C)[O-].[Na+]	C827214
PUBCHEM_820	O=S(=O)(c1cc(C)ccc1C)O	C609541
PUBCHEM_820	O=S(=O)(c1ccccc1C=O)[O-].[Na+]	C1008726
PUBCHEM_820	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_820	O=S(=O)(c1c2cc(CCCC)ccc2ccc1)[O-].[Na+]	C25638179
PUBCHEM_820	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
PUBCHEM_820	O=S(=O)(c1cccc2c1cccc2)[O-].[Na+]	C130143
PUBCHEM_820	O=S(=O)(c1c(C(C)C)cc(C(C)C)c2c1cc(C(C)C)cc2)[O-].[Na+]	C1323199
PUBCHEM_820	O=S(=O)(c1ccccc1C)[O-].[Na+]	C15046750
PUBCHEM_820	O=S(=O)(c1cc(C)ccc1C)[O-].[Na+]	C827190
PUBCHEM_820	c12ccccc1c1c(cccc1)s2	C132650
PUBCHEM_820	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
PUBCHEM_820	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
PUBCHEM_820	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_820	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_820	O=C(OC)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)nc(C)n2)cc(I)cc1.[Na+]	C144550367
PUBCHEM_820	O=C(c1c(S(=O)(=O)C)cc(C(F)(F)F)cc1)c1c(C2CC2)onc1	C141112290
PUBCHEM_820	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_820	O=C([N-]S(=O)(=O)c1c(C(=O)OC)cccc1)n1nc(OCCC)n(C)c1=O.[Na+]	C181274157
PUBCHEM_820	O=S(=O)(c1c(cccc1)/C(=C/1\C=C/C(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	C3844459
PUBCHEM_820	O=S1(=O)c2ccccc2C(=O)[N-]1.[Na+].[O]	C82385420
PUBCHEM_820	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_820	O=c1[nH]sc2c1cccc2	C2634335
PUBCHEM_820	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_820	O=c1n([C@H](C(=O)O)[C@@H](C)CC)sc2ccccc12	C177785476
PUBCHEM_820	OC1=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O[C@](C1)(CCc1ccc(N)cc1)C(C)C	C207736058
PUBCHEM_820	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
PUBCHEM_820	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_820	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
PUBCHEM_820	O=S(=O)(c1cc(C(=O)N=C(N)N)ccc1C(C)C)C.O=S(=O)(O)C	C159138815
PUBCHEM_820	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_820	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
PUBCHEM_820	O=C(NS(=O)(=O)c1c(C(=O)N(C)C)ccc(NC=O)c1)Nc1nc(OC)cc(OC)n1	C173159574
PUBCHEM_820	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2)cccc1	C86209510
PUBCHEM_820	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OCC)nc(NC)n2)cccc1	C97780068
PUBCHEM_820	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(=O)(=O)C)cc1	C208465218
PUBCHEM_820	Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	C101200480
PUBCHEM_820	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1	C74223646
PUBCHEM_820	O=C(OC)c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1	C126535157
PUBCHEM_820	O=S(=O)(c1c(CCC(F)(F)F)cccc1)NC(=O)Nc1nc(OC)nc(C)n1	C94125345
PUBCHEM_820	O=C(OC1COC1)c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1	C144651069
PUBCHEM_820	[Na+].[O-]C(=O)c1ccccc1S[Hg]CC	C54648
PUBCHEM_820	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
PUBCHEM_820	O=S(=O)(c1cc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]	C16470249
PUBCHEM_821	C\1(=C\2/C(=O)c3cc(S(=O)(=O)[O-])ccc3N2)/C(=O)c2cc(S(=O)(=O)[O-])ccc2N1.[Na+].[Na+]	C860220
PUBCHEM_821	O=C([C@@H]1C=C2[C@H](N(C)C1)Cc1c3c2cccc3[nH]c1Br)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@H]3[C@]2(O)O1.O=S(=O)(O)C	C22260511
PUBCHEM_821	Nc1ccc(cc1C)c1cc(C)c(cc1)N.Cl.Cl	C612828
PUBCHEM_821	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_821	c1cccc2[nH]ccc12	C120729
PUBCHEM_821	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_821	Clc1ccc2c(c1)C(=NC(O)C(=O)N2)c1ccccc1	C604751
PUBCHEM_821	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_821	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_821	O=C(OCC)c1c(cccc1)c1c2cc(C)c(NCC)cc2oc2c1cc(C)/c(=N\CC)/c2.Cl	C989388
PUBCHEM_821	Nc1ccccc1C.Cl	C636215
PUBCHEM_821	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
PUBCHEM_821	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
PUBCHEM_821	Cc1cc(c(cc1)[N+](=O)[O-])C	C89872
PUBCHEM_821	O=C(OCC)c1c(N)cccc1	C87252
PUBCHEM_821	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_821	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_821	N(c1c2c(cccc2)ccc1)c1ccccc1	C90302
PUBCHEM_821	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_821	Nc1cccc(C)c1C	C1300738
PUBCHEM_821	Nc1c(C)cccc1CC	C24549062
PUBCHEM_821	O=C(CCl)N([C@@H](C)COC)c1c(CC)cccc1C	C87392129
PUBCHEM_821	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(C)C	C52806538
PUBCHEM_821	O=C1NC(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)[N+](=O)[O-]	C63612500
PUBCHEM_821	O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1.O=C1[N-]S(=O)(=O)c2c1cccc2	C90823384
PUBCHEM_821	[O-]C(=O)c1ccccc1.O=C(Nc1c(C)cccc1C)C[N+](CC)(CC)Cc1ccccc1	C3734336
PUBCHEM_821	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_821	CC[N+](=C1C=C/C(=C(\c2ccc(NCC)c3c2cccc3)/c2ccc(N(CC)CC)cc2)/C=C1)CC.[Cl-]	C2390605
PUBCHEM_821	O=C1c2ccccc2C(=O)c2c1c(ccc2NC(C)C)NC(C)C	C14233375
PUBCHEM_821	O=C1c2ccccc2C(=O)c2c1c(ccc2N)N	C128950
PUBCHEM_821	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_821	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_821	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_821	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_821	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_821	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_821	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_821	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_821	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_821	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_821	Nc1c(CC)cc(Cc2cc(CC)c(c(CC)c2)N)cc1CC	C13680358
PUBCHEM_821	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_821	O=c1c2c(cccc2)nnn1CSP(=S)(OC)OC	C86500
PUBCHEM_821	c1(CC)cccc(CC)c1N(COC)C(=O)CCl	C15972608
PUBCHEM_821	N(c1c(cccc1CC)C)(C(=O)CCl)C(COC)C	C51218452
PUBCHEM_821	ClCC(=O)N(COCC)c1c(C)cccc1CC	C34256821
PUBCHEM_821	Cc1cc(C)ccc1/N=C/N(C)/C=N/c1ccc(C)cc1C	C33089611
PUBCHEM_821	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	C25057890
PUBCHEM_821	OC(=O)c1cc2ccccc2nc1C1=NC(C(=O)N1)(C)C(C)C	C81335377
PUBCHEM_821	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_821	Cc1cccc(C)c1N(C(=O)COC)C(C)C(=O)OC	C57837191
PUBCHEM_821	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_821	O=C1C(C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)C)cc2)C(=O)CCC1	C104206828
PUBCHEM_821	Clc1cc(C(F)(F)F)c(cc1)/N=C(\COCCC)/n1cncc1	C68694111
PUBCHEM_821	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
PUBCHEM_821	Clc1ccc(cc1)n1ccc(n1)OCc1c(cccc1)N(C(=O)OC)OC	C175013180
PUBCHEM_821	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_821	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_821	O=C(Nc1c(cccc1)c1ccc(Cl)cc1)c1c(Cl)nccc1	C188425856
PUBCHEM_821	O=C(CCl)N(COCCCC)c1c(CC)cccc1CC	C23184669
PUBCHEM_821	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_821	Cc1c(N=Nc2cc(C)c(N)cc2)cccc1	C97563
PUBCHEM_821	Clc1cc(nc(n1)SCC(=O)O)Nc1cccc(c1C)C	C50892234
PUBCHEM_821	Nc1c(ccc(c1)N)C	C95807
PUBCHEM_821	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	C606202
PUBCHEM_821	Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C121142
PUBCHEM_821	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
PUBCHEM_821	Oc1cccc2cccnc12	C148243
PUBCHEM_821	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
PUBCHEM_821	Cc1c(ccc(c1)Cc1cc(c(cc1)N)C)N	C838880
PUBCHEM_821	Cc1cc2cccnc2cc1	C91623
PUBCHEM_821	Nc1c2c(ccc1)c(ccc2)N	C2243621
PUBCHEM_821	O=[N+](c1cc(c(cc1)C)N)[O-]	C99558
PUBCHEM_821	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_821	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_821	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_821	O=C(O)[C@@H](N)Cc1c[nH]c2c1cccc2	C73223
PUBCHEM_821	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_821	n1cccc2c1cccc2	C91225
PUBCHEM_821	c1ccc2c(c1)N(C(=O)N)c1c(C=C2)cccc1	C298464
PUBCHEM_821	Nc1c(cc(c2cc(C)c(N)cc2)cc1)C	C119937
PUBCHEM_821	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_821	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_821	Cc1cccc(c1C)[N+](=O)[O-]	C83410
PUBCHEM_821	O=C(OC)c1c(N)cccc1	C134203
PUBCHEM_821	[N+](=O)([O-])c1ccccc1C	C88722
PUBCHEM_821	O=C=Nc1cc(N=C=O)ccc1C	C584849
PUBCHEM_821	Nc1c(cccc1)C	C95534
PUBCHEM_821	Nc1c(cccc1C)C	C87627
PUBCHEM_821	Nc1c(CC)cccc1CC	C579668
PUBCHEM_821	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_821	Nc1cccc(C)c1N	C2687254
PUBCHEM_821	[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(C)C	C13311847
PUBCHEM_821	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_821	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
PUBCHEM_821	O=C1N2c3c(C(=N[C@H]1NC(=O)c1ccncc1)c1ccccc1)cc(C)cc3CC2	CNOCAS47248
PUBCHEM_821	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_821	Clc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(=O)N3C[C@H](O)[C@@H](C3)O)[nH]2)c1	C186392654
PUBCHEM_821	N#C[C@@]1(CC[C@H](C(=O)O)CC1)c1cc2n(nc(CC)c2cc1)C1CCCCC1	C199171885
PUBCHEM_821	O=C([N-]S(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c(C(C)C)cccc1C(C)C.[Na+]	CNOCAS47255
PUBCHEM_821	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_821	O=C1CC(C)(C)c2c(N1)c(C)cc(CCN1CCN(CC1)c1nsc3ccccc13)c2.O=S(=O)(O)C	C676116044
PUBCHEM_821	O=C1c2c(CCC1)[nH]cc2C(=O)Nc1ccc(CNC)cc1	C194098254
PUBCHEM_821	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_821	O=C(OC(C)C)N1c2ccc(cc2[C@H](C[C@H]1CC)N(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	C261947380
PUBCHEM_821	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
PUBCHEM_821	O=C1N2CCc3c2c(cc(c3)N)C(=N[C@H]1NC(=O)c1cccnc1)c1ccccc1	CNOCAS47291
PUBCHEM_821	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_821	O=c1n(Cc2ccc(Br)cc2F)c(=O)n(c2c1ccc(c2)Cl)CC(=O)O	C112733069
PUBCHEM_821	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_821	O=C1C(C(=O)c2cc(Cl)cs2)c2cc(F)c(cc2N1C(=O)N)Cl	C135080034
PUBCHEM_821	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
PUBCHEM_821	OC(=O)CCCCn1c2c(cccc2)c(c2cnccc2)c1C	C162706141
PUBCHEM_821	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
PUBCHEM_821	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
PUBCHEM_821	O=C(N1c2cc(C(F)(F)F)c(C)cc2CC1)Nc1ccc(Oc2cccnc2C)nc1.Cl	C200940234
PUBCHEM_821	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
PUBCHEM_821	O=C(N)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	C189003927
PUBCHEM_821	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_821	Fc1ccc2c(cc(C(=O)Nc3ccc4[nH]ccc4c3)n2Cc2cc(F)ccc2)c1	CNOCAS47366
PUBCHEM_821	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_821	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_821	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_821	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
PUBCHEM_821	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_821	O=C(NC1CCN(C(C)C)CC1)c1cc2cc(C(=O)O[C@@H](C)OC(=O)OCC)ccc2n1Cc1noc(c2ccc(Cl)s2)c1.Cl	CNOCAS47377
PUBCHEM_821	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_821	Fc1ccc2n(NC(=O)c3c(C)nc(c4ccccn4)nc3)cc(C)c2c1	C1068967963
PUBCHEM_821	O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1.O=C(O)/C=C/C(=O)O.O=C(c1ccc(NC(=O)c2c(C)occ2)cc1)N1c2c(cccc2)/C(=C/C(=O)N2CCC(N3CCCCC3)CC2)/C(F)(F)CC1	CNOCAS48176
PUBCHEM_821	[n+]1(Cc2ccccc2)c2ccccc2ccc1.[Cl-]	C15619484
PUBCHEM_821	O=C1[C@@H](Cc2c(C)[nH]cn2)CCc2n1c1c(c2C)cccc1.Cl	C129299907
PUBCHEM_821	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
PUBCHEM_821	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_821	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C)N	C82280
PUBCHEM_821	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_821	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_821	O=[N+](c1cc(c(cc1)C(=O)O)N)[O-]	C619170
PUBCHEM_821	c1cccc(Nc2cc(C(F)(F)F)ccc2)c1C(=O)O	C530789
PUBCHEM_821	c1cccc(Nc2cccc(C)c2C)c1C(=O)O	C61687
PUBCHEM_821	C1(=C(C(=O)OC)C(c2ccccc2N(=O)=O)C(=C(C)N1)C(=O)OCC(C)C)C	C63675729
PUBCHEM_821	c12ccccc1ccc1c2cccn1	C85029
PUBCHEM_821	[N+](=O)([O-])c1cc(cc2ccccc12)[N+](=O)[O-]	C606371
PUBCHEM_821	c1cc2c([N+](=O)[O-])c3ccccc3cc2cc1	C602608
PUBCHEM_821	C(=O)(OCCc1ccccc1)c1ccccc1N	C133186
PUBCHEM_821	OCc1c[nH]c2c1cccc2	C700061
PUBCHEM_821	S=P(OCC)(OCC)SCn1nnc2ccccc2c1=O	C2642719
PUBCHEM_821	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_821	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_821	CN(C)CCCN1c2ccccc2CCc2c1cccc2.Cl	C113520
PUBCHEM_821	O=C(CCl)Nc1ccc(Br)cc1C	C96686510
PUBCHEM_821	O=C(Cc1ccccc1)N(C(C)C(=O)OC)c1c(C)cccc1C	C71626114
PUBCHEM_821	Clc1cc2N(CCCN(C)C)c3c(CCc2cc1)cccc3.Cl	C17321776
PUBCHEM_821	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_821	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_821	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
PUBCHEM_821	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
PUBCHEM_821	N#Cc1c(/N=N/c2ccc(N(CCOC(=O)C)CCOC(=O)C)cc2)ccc([N+](=O)[O-])c1	C30124948
PUBCHEM_821	CC1=Nc2ccc3c(cccc3)c2C1(C)C	C41532847
PUBCHEM_821	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_821	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	C153946
PUBCHEM_821	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_822	Clc1c(ccc(c1)N)C	C95749
PUBCHEM_822	ClC(C(c1c(cccc1)Cl)c1ccc(cc1)Cl)Cl	C53190
PUBCHEM_822	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_822	c1cccc(c1C(C(Cl)(Cl)Cl)c1ccc(cc1)Cl)Cl	C789026
PUBCHEM_822	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
PUBCHEM_822	[O-][N+](=O)O.Clc1ccc(C(OCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1	C24169026
PUBCHEM_822	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_822	Oc1cc(C)c(Cl)c(C)c1	C88040
PUBCHEM_822	BrC1CC(Cn2ncnc2)(c2c(Cl)cc(Cl)cc2)OC1	C116255482
PUBCHEM_822	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_822	Clc1c(cccc1)C1OC1(c1ccc(F)cc1)Cn1ncnc1	C106325080
PUBCHEM_822	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_822	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_822	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	C74115245
PUBCHEM_822	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_822	Clc1ccc(C(OCC=C)Cn2ccnc2)c(Cl)c1	C35554440
PUBCHEM_822	Clc1ccc(c(Cl)c1)C1(Cn2ncnc2)OCC(CCC)O1	C60207901
PUBCHEM_822	O=C1N(Cc2ccccc2Cl)OCC1(C)C	C81777891
PUBCHEM_822	N#Cc1c(Cl)cccc1Cl	C1194656
PUBCHEM_822	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
PUBCHEM_822	OC(c1cncnc1)(c1ccc(Cl)cc1)c1ccccc1Cl	C60168889
PUBCHEM_822	O=c1n(nc(C)n1C(F)F)c1cc(CC(Cl)C(=O)OCC)c(Cl)cc1F	C128639021
PUBCHEM_822	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_822	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_822	O=C(NC(CC)(C)C(=O)CCl)c1cc(Cl)c(C)c(Cl)c1	C156052685
PUBCHEM_822	Clc1c(C(=O)O)c2ncc(Cl)cc2cc1	C84087014
PUBCHEM_822	Clc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-].[Na+]	C123343168
PUBCHEM_822	O=C(OC(C(=O)OCC=C)(C)C)c1c(Cl)ccc(n2c(=O)n(C)c(C(F)(F)F)cc2=O)c1	C134605644
PUBCHEM_822	Clc1cc(Cl)ccc1C(CCCC)(O)Cn1cncn1	C79983714
PUBCHEM_822	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
PUBCHEM_822	Clc1c(ccc(Cl)c1)C(COC(F)(F)C(F)F)Cn1ncnc1	C112281773
PUBCHEM_822	OC(C(C)(C)C)/C(=C\c1c(Cl)cc(Cl)cc1)/n1ncnc1	C83657243
PUBCHEM_822	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_822	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_822	Oc1cc(C)c(Cl)cc1	C59507
PUBCHEM_822	Cc1ccccc1Cl	C95498
PUBCHEM_822	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_822	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	C23593751
PUBCHEM_822	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
PUBCHEM_822	O=C(N(C(C)CC)C)c1cc2c(cccc2)c(c2ccccc2Cl)n1	C85532758
PUBCHEM_822	Clc1cc(Cl)cc2c1CN1CCCCCC1=N2.Cl	C149062759
PUBCHEM_822	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_822	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
PUBCHEM_822	O=C(c1c(Cl)c(C(F)(F)F)ccc1)N[C@H]([C@H]1NCCCC1)c1ccccc1	C742693385
PUBCHEM_822	O=C(c1c(Cl)c(C(F)(F)F)ccc1Cl)N[C@H](c1ccccc1)C1CN2CC[C@H]1CC2.Cl	CNOCAS47364
PUBCHEM_822	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_822	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
PUBCHEM_822	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_822	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
PUBCHEM_822	O=C(c1ccc(F)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccccc1.[Na+]	CNOCAS48516
PUBCHEM_822	Clc1ccccc1c1nc2c(C)[nH]nc2[nH]c2c1cc([N+](=O)[O-])cc2	CNOCAS48505
PUBCHEM_822	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_822	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_822	O=P(OC(=CCl)c1c(Cl)cc(Cl)cc1)(OCC)OCC	C470906
PUBCHEM_822	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_822	O=C(N)c1c(Cl)cc([N+](=O)[O-])cc1	C3011890
PUBCHEM_822	OC(c1ccccc1Cl)(c1cncnc1)c1ccc(F)cc1	C63284719
PUBCHEM_822	Clc1c(ccc(Cl)c1)C(CCC)Cn1ncnc1	C66246886
PUBCHEM_822	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_822	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
PUBCHEM_823	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_823	O=C(NS(=O)(=O)/C=C/c1cccs1)c1c(Br)cc(F)cc1	CNOCAS48518
PUBCHEM_823	Brc1ccccc1c1ccccc1	C2052075
PUBCHEM_824	O=Cc1cc(OCC)c(O)cc1	C121324
PUBCHEM_824	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
PUBCHEM_824	c1cccc(OC)c1O	C90051
PUBCHEM_824	O(C)c1cc(C=O)ccc1OC	C120149
PUBCHEM_824	Oc1cccc2c1OC(C)(C)C2	C1563388
PUBCHEM_824	O=C1[C@@]2([C@]3([C@@H](O)CCC([C@@H]3[C@H](O)[C@@H]([C@]2(O[C@](C=C)(C)C1)C)OC(=O)C)(C)C)C)O	C66575299
PUBCHEM_824	Oc1c(OCC)cccc1	C94713
PUBCHEM_824	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
PUBCHEM_824	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
PUBCHEM_824	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
PUBCHEM_824	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
PUBCHEM_824	CC(C)Oc1ccccc1OC(=O)NC	C114261
PUBCHEM_824	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
PUBCHEM_824	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
PUBCHEM_824	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
PUBCHEM_824	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_824	C[C@]12[C@@H](OCc3c(C)cccc3)C[C@](CC1)(C(C)C)O2	C87818313
PUBCHEM_824	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
PUBCHEM_824	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
PUBCHEM_824	Oc1c(cccc1)O	C120809
PUBCHEM_824	Oc1c(cc(cc1)CC=C)OC	C97530
PUBCHEM_824	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
PUBCHEM_824	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
PUBCHEM_824	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
PUBCHEM_824	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
PUBCHEM_824	C=CCc1ccc2c(c1)OCO2	C94597
PUBCHEM_824	c1(C=O)cc(OC)c(O)cc1	C121335
PUBCHEM_824	Oc1ccc(C=CC)cc1OC	C97541
PUBCHEM_824	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
PUBCHEM_824	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
PUBCHEM_824	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
PUBCHEM_824	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
PUBCHEM_824	O(C)c1cc(CC=C)ccc1OC	C93152
PUBCHEM_824	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
PUBCHEM_824	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
PUBCHEM_824	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
PUBCHEM_824	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
PUBCHEM_824	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
PUBCHEM_824	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
PUBCHEM_824	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_824	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
PUBCHEM_824	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
PUBCHEM_824	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
PUBCHEM_824	O=C(O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC)NC(=O)CCl	C129298915
PUBCHEM_824	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_824	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
PUBCHEM_824	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
PUBCHEM_824	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_824	Oc1c(O)cc(cc1)C(C)(C)C	C98293
PUBCHEM_824	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
PUBCHEM_824	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
PUBCHEM_824	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
PUBCHEM_824	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
PUBCHEM_824	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
PUBCHEM_825	O=S(=O)(c1ccccc1O)O	C1333397
PUBCHEM_825	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
PUBCHEM_825	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
PUBCHEM_825	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
PUBCHEM_825	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
PUBCHEM_825	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
PUBCHEM_825	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_826	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
PUBCHEM_826	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
PUBCHEM_826	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
PUBCHEM_826	Oc1c([N+](=O)[O-])cccc1	C88755
PUBCHEM_826	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
PUBCHEM_826	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_826	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
PUBCHEM_826	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
PUBCHEM_826	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
PUBCHEM_826	Nc1ccc([N+](=O)[O-])cc1OC	C97529
PUBCHEM_826	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
PUBCHEM_826	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
PUBCHEM_826	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
PUBCHEM_826	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
PUBCHEM_826	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_826	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_826	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
PUBCHEM_826	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_826	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
PUBCHEM_826	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_826	CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O	C2310170
PUBCHEM_826	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
PUBCHEM_826	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
PUBCHEM_826	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
PUBCHEM_826	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
PUBCHEM_826	Nc1cc(ccc1OC)C	C120718
PUBCHEM_826	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
PUBCHEM_826	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
PUBCHEM_826	Oc1cccc2cccnc12	C148243
PUBCHEM_826	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
PUBCHEM_826	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
PUBCHEM_826	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
PUBCHEM_826	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
PUBCHEM_826	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
PUBCHEM_826	Nc1c(OC)cccc1	C90040
PUBCHEM_826	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
PUBCHEM_826	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
PUBCHEM_826	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_826	O=c1oc2cc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1	C253450098
PUBCHEM_826	Fc1ccc(cc1)[C@@H]1N(Cc2cc(c3ccc4c(oc(O)n4)c3)co2)CCN(C)C1.O.Cl	CNOCAS47349
PUBCHEM_826	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
PUBCHEM_826	O=C(Nc1cccc2c1oc(C)c2C(O)(C)C)c1c(Cl)cccc1Cl	C174185161
PUBCHEM_826	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
PUBCHEM_826	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
PUBCHEM_826	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
PUBCHEM_826	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
PUBCHEM_826	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
PUBCHEM_826	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
PUBCHEM_826	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_826	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
PUBCHEM_826	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
PUBCHEM_826	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
PUBCHEM_826	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
PUBCHEM_826	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
PUBCHEM_826	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_826	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
PUBCHEM_826	CC1COc2ccccc2N1	C32329207
PUBCHEM_826	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
PUBCHEM_827	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
PUBCHEM_827	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_827	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_827	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
PUBCHEM_827	Oc1cc(Cl)ccc1Cl	C583788
PUBCHEM_827	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
PUBCHEM_827	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
PUBCHEM_827	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_827	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
PUBCHEM_827	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
PUBCHEM_827	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
PUBCHEM_827	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
PUBCHEM_827	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
PUBCHEM_827	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
PUBCHEM_827	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
PUBCHEM_827	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
PUBCHEM_827	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_827	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
PUBCHEM_827	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
PUBCHEM_827	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
PUBCHEM_827	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
PUBCHEM_827	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
PUBCHEM_827	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_827	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
PUBCHEM_827	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
PUBCHEM_827	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
PUBCHEM_827	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
PUBCHEM_827	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
PUBCHEM_827	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
PUBCHEM_827	Clc1c(ccc(c1)Cl)O	C120832
PUBCHEM_827	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
PUBCHEM_827	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_827	Oc1c(cc(cc1Cl)Cl)Cl	C88062
PUBCHEM_827	Oc1ccccc1Cl	C95578
PUBCHEM_827	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
PUBCHEM_827	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_827	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
PUBCHEM_827	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
PUBCHEM_827	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
PUBCHEM_827	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_827	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
PUBCHEM_827	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
PUBCHEM_827	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
PUBCHEM_827	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
PUBCHEM_827	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_827	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
PUBCHEM_827	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_827	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
PUBCHEM_828	Oc1c(Br)cc(Br)cc1Br	C118796
PUBCHEM_828	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
PUBCHEM_828	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
PUBCHEM_828	c1c(Br)c(O)c(Br)cc1C#N	C1689845
PUBCHEM_828	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
PUBCHEM_828	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
PUBCHEM_828	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
PUBCHEM_828	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
PUBCHEM_828	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
PUBCHEM_828	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
PUBCHEM_828	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
PUBCHEM_830	[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C	C61734
PUBCHEM_830	c1ccc2ncsc2c1	C95169
PUBCHEM_830	[S-]c1nc2ccccc2s1.[Na+]	C2492264
PUBCHEM_830	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
PUBCHEM_830	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_830	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
PUBCHEM_830	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
PUBCHEM_830	OS(=O)(=O)c1cc(S(=O)(=O)[O-])ccc1N=C1C=C/C(=C(/c2cc(C)c(N)cc2)\c2ccc(cc2)Nc2ccc(S(=O)(=O)[O-])cc2)/C=C1.[Na+].[Na+]	C28631665
PUBCHEM_830	O=C(SC)c1cccc2c1snn2	C135158542
PUBCHEM_830	N#CSCSc1nc2ccccc2s1	C21564170
PUBCHEM_830	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_830	Sc1nc2c(cccc2)s1	C149304
PUBCHEM_830	N1c2c(cccc2)Sc2ccccc12	C92842
PUBCHEM_830	Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12	C69090
PUBCHEM_830	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
PUBCHEM_830	O=C(N(CC)CC)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C	C328392467
PUBCHEM_830	O=S(=O)(c1cccc2cccnc12)[N-]c1c(C(=O)N[C@@H](CC)c2ccccc2)cc(F)cc1.[Na+]	C478263988
PUBCHEM_830	N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	C1594565
PUBCHEM_830	O=C(Nc1c(SSc2ccccc2NC(=O)c2ccccc2)cccc1)c1ccccc1	C135579
PUBCHEM_830	O=S(=O)(c1ccccc1N)N(C)C1CCCCC1	C70693593
PUBCHEM_830	O=C(N(CC)CC)c1c(N(CC)CCN(C)C)cc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)Cc2ccccc2)c1.O=C(C(F)(F)F)O	CNOCAS48522
PUBCHEM_831	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_831	S=P(OC)(OC)SCSc1cc(Cl)ccc1Cl	C493527
PUBCHEM_831	O=C(CSc1c(Cl)cc(F)c(/N=c/2\sc(=O)n3n2CCCC3)c1)OC	C117337196
PUBCHEM_831	O=S1(=O)c2c(cc(c(c2)S(=O)(=O)N)Cl)NCN1	C58935
PUBCHEM_831	O=C(Nc1nccnc1)[C@@H](c1ccc(S(=O)(=O)C)c(Cl)c1)CC1CCCC1	C588941451
PUBCHEM_831	O=C1C[C@@H](C[C@@H](C(=O)Nc2cnccn2)c2cc(Cl)c(S(=O)(=O)C)cc2)CC1	C625114412
PUBCHEM_831	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(OC)n1	C64902723
PUBCHEM_831	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_831	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_833	[nH]1c2c(cccc2)nn1	C95147
PUBCHEM_833	OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c2nc2cc(C)c(C)cc12	C83885
PUBCHEM_833	[N+](=O)([O-])c1ccccc1N	C88744
PUBCHEM_833	c12ncccc1ccc1c2nccc1	C66717
PUBCHEM_833	Cc1cccc2nn[nH]c12	C29385431
PUBCHEM_833	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
PUBCHEM_833	S=C(NC(=O)OCC)Nc1c(cccc1)NC(=S)NC(=O)OCC	C23564069
PUBCHEM_833	O=S(=O)(Nc1cnc2c(cccc2)n1)c1ccc(N)cc1	C59405
PUBCHEM_833	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
PUBCHEM_833	[nH]1c(nc2c1cccc2)c1cscn1	C148798
PUBCHEM_833	O=[N+](c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-]	C1582098
PUBCHEM_833	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
PUBCHEM_833	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCCC)CC)C(F)(F)F	C1861401
PUBCHEM_833	CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC	C17804352
PUBCHEM_833	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)S(=O)(=O)N	C19044883
PUBCHEM_833	[O-][N+](=O)c1c(C)c(C)cc([N+](=O)[O-])c1NC(CC)CC	C40487421
PUBCHEM_833	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	C23564058
PUBCHEM_833	[O-][N+](=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)CC	C33629479
PUBCHEM_833	[O-][N+](=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N(CC)CC(=C)C	C55283686
PUBCHEM_833	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_833	Clc1c(CN(CC)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(F)ccc1	C62924703
PUBCHEM_833	Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(N(CCC)CCC)c1[N+](=O)[O-]	C29091212
PUBCHEM_833	Nc1c(ccc(c1)Cl)N	C95830
PUBCHEM_833	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	C528290
PUBCHEM_833	[O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N(CCC)CCC)C(C)C	C33820530
PUBCHEM_833	N(C(=O)OC)c1nc2ccccc2[nH]1	C10605217
PUBCHEM_833	Nc1cc(C)ccc1N	C496720
PUBCHEM_833	Nc1c(N)cccc1	C95545
PUBCHEM_833	[O-][N+](=O)c1c([N+](=O)[O-])cccc1C	C602017
PUBCHEM_833	Nc1cccc(C)c1N	C2687254
PUBCHEM_833	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
PUBCHEM_833	O=C(Cc1cccc2c1cco2)N(C)[C@@H]1[C@@H](N2CCCC2)C[C@]2(CCCO2)CC1	C124378774
PUBCHEM_833	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
PUBCHEM_833	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_833	O=S(=O)(NC)c1c(F)cc(Cl)c(C(=O)N2CCC(CC2)(c2cc(F)ccc2)CCN2C3CC(n4c(C)nc5c4cccc5)CC2CC3)c1	CNOCAS47311
PUBCHEM_833	OC(=O)C1CCN(CC1)c1c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc(F)cc1	C648917139
PUBCHEM_833	[O-]C(=O)c1ccc2c(nc(C(=O)NC3CCN(C4CC4)CC3)n2Cc2noc(c3ccc(Cl)s3)c2)c1.[Na+]	CNOCAS47383
PUBCHEM_833	CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)c3ccccc3c3nnn[nH]3)c12	C145040375
PUBCHEM_833	Nc1c(cc(cc1)N)[N+](=O)[O-]	C5307142
PUBCHEM_833	O=[N+](c1cc(c(cc1)N)N)[O-]	C99569
PUBCHEM_833	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
PUBCHEM_833	c1ccc2c(c1)nc(S(=O)Cc1nccc(OCC(F)(F)F)c1C)[nH]2	C103577453
PUBCHEM_833	c1cc2c(cc1)n(C1CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]2	C2062784
PUBCHEM_833	CCOP(=S)(OCC)Oc1cnc2ccccc2n1	C13593038
PUBCHEM_833	Nc1c([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])cc1C(F)(F)F	C29091052
PUBCHEM_833	c1(c2ccco2)nc2ccccc2[nH]1	C3878191
PUBCHEM_833	[O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(S(=O)(=O)C)c1	C4726141
PUBCHEM_833	O=S(Cc1c(C)c(OCCCOC)ccn1)c1nc2ccccc2[n-]1.[Na+]	C117976906
PUBCHEM_833	c12c(ccc3c1nccc3)cccn2.Cl.O	C18851337
PUBCHEM_834	Clc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C97007
PUBCHEM_834	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
PUBCHEM_834	O=S(=O)(c1ccc(Cl)c(N2N=C(C)C(/N=N/c3ccccc3)C2=O)c1)[O-].[Na+]	C6359906
PUBCHEM_834	[O-]S(=O)(=O)c1c(Cl)cc(N2N=C(C)C(/N=N/c3ccc(S(=O)(=O)[O-])cc3)C2=O)c(Cl)c1.[Na+].[Na+]	C6359984
PUBCHEM_834	N#CCCN(CC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	C13301616
PUBCHEM_834	Clc1nc(nc(n1)Nc1ccccc1Cl)Cl	C101053
PUBCHEM_834	O=[N+](c1cc(c(c(c1)Cl)N)Cl)[O-]	C99309
PUBCHEM_834	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_834	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
PUBCHEM_834	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_834	Clc1c(Nc2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ncc(C(F)(F)F)c1	C79622596
PUBCHEM_834	O=C(Nc1ccc(Cl)cc1Cl)C1(C(=O)O)CC1	C113136779
PUBCHEM_834	O=S(=O)(Nc1c(Cl)cc(Cl)c(n2nc(C)n(C(F)F)c2=O)c1)C	C122836355
PUBCHEM_834	O=S(=O)(c1nn2c(OCC)nc(F)cc2n1)Nc1c(Cl)cccc1Cl	C145701219
PUBCHEM_834	Nc1n(nc(C#N)c1S(=O)C(F)(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	C120068373
PUBCHEM_834	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
PUBCHEM_834	Clc1c(cc(cc1C(=O)O)Cl)N	C133904
PUBCHEM_834	[O-]C(=O)Cc1c(cccc1)Nc1c(Cl)cccc1Cl.[Na+]	C15307796
PUBCHEM_834	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_834	Brc1ccc(cc1)c1c(CC)c(C(=O)NN2CCCCC2)nn1c1ccc(Cl)cc1Cl	C288104790
PUBCHEM_834	O=c1c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc2n(c2ccccc2C(=O)O)cc1C(=O)O	C862243296
PUBCHEM_834	Clc1cc(c2cc(Cl)c(N)cc2)ccc1N.Cl.Cl	C612839
PUBCHEM_834	Clc1cc(c(cc1c1c(cc(c(c1)Cl)N)Cl)Cl)N	C15721025
PUBCHEM_834	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_834	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
PUBCHEM_834	O=C(OCC)c1nn(c2c(Cl)cc(Cl)cc2)c(C(Cl)(Cl)Cl)n1	C103112352
PUBCHEM_834	Clc1c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	C29091096
PUBCHEM_834	O=C1N(c2c(Cl)cccc2Cl)c2c(C1)cccc2	C15362400
PUBCHEM_835	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
PUBCHEM_836	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_836	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
PUBCHEM_836	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
PUBCHEM_836	Nc1cc(Cl)c(Cl)cc1	C95761
PUBCHEM_836	Clc1ccc(NC(=O)N(C)OC)cc1Cl	C330552
PUBCHEM_836	O=C1OC(=O)c2c(c(c(c(Cl)c12)Cl)Cl)Cl	C117088
PUBCHEM_836	Clc1ccc(C(F)(F)F)cc1Cl	C328847
PUBCHEM_836	Clc1c(Cl)cc(c(c1)Cl)/C(=C/Cl)/OP(=O)(OC)OC	C22248799
PUBCHEM_836	Clc1c(c(c(c(c1C#N)Cl)Cl)Cl)C#N	C1897456
PUBCHEM_836	Clc1c(ccc(c1)NC(=O)N(C)C)Cl	C330541
PUBCHEM_836	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C58899
PUBCHEM_836	Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]	C82688
PUBCHEM_836	c1c(Cl)c(Cl)ccc1NC(=O)CC	C709988
PUBCHEM_836	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
PUBCHEM_836	Clc1c(cccc1)Cl	C95501
PUBCHEM_836	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	C319857
PUBCHEM_836	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_836	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
PUBCHEM_836	Clc1c(Cl)cc(Cl)cc1	C120821
PUBCHEM_836	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	C1861321
PUBCHEM_836	Clc1cc(Cl)c(Cl)cc1Cl	C95943
PUBCHEM_836	Clc1c(O)cc(Cl)c(Cl)c1	C95954
PUBCHEM_836	[N+](=O)([O-])c1ccc(Cl)c(Cl)c1	C99547
PUBCHEM_836	Clc1c(Cl)cccc1Cl	C87616
PUBCHEM_836	O=C(Nc1ccc(cc1)Cl)Nc1ccc(c(Cl)c1)Cl	C101202
PUBCHEM_836	O=C1/C(=C/c2ccccc2N2CCN(C)CC2)/SCCN1c1ccc(Cl)c(Cl)c1	C361343193
PUBCHEM_836	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
PUBCHEM_836	Clc1c(c2[nH]c(=O)c(=O)[nH]c2cc1Cl)n1c(c2c[n+]([O-])ccc2)nnc1COC	C197077557
PUBCHEM_836	Clc1c(Cl)ccc([C@@H](CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N+]23CCC(CC2)(C2CCCCC2)CC3)c1.O=S(=O)([O-])C	C203942498
PUBCHEM_836	NS(=O)(=O)c1ccc2[C@H](c3ccc(Cl)c(Cl)c3)CC[C@@H](c2c1)NC	C291305061
PUBCHEM_836	O=C(c1ccccc1)N1CCC[C@](c2cc(Cl)c(Cl)cc2)(CCCN2CCC(c3ccccc3)(NC(=O)N(C)C)CC2)C1	C264618442
PUBCHEM_836	O=C(N(C)C)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl	CNOCAS47353
PUBCHEM_836	Clc1c(Cl)cc(cc1)[C@]1(OCC(=O)N(C1)c1ccccc1)CCN1CCC(c2cccc(F)c2)(NC(=O)C)CC1.O=C(CCC(=O)O)O	CNOCAS47387
PUBCHEM_836	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
PUBCHEM_836	O=S(=O)(c1cc(c(cc1Cl)Cl)Cl)c1ccc(cc1)Cl	C116290
PUBCHEM_836	[N+](=O)([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl	C117180
PUBCHEM_836	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
PUBCHEM_836	O=C(NC)Nc1cc(Cl)c(Cl)cc1	C3567622
PUBCHEM_836	O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)O	C6378252
PUBCHEM_837	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
PUBCHEM_838	O=C(OCC(CC)CCCC)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC	C26040517
PUBCHEM_839	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_839	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_839	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_839	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_839	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_839	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_839	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_839	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_839	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_839	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_839	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_839	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_839	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_839	CC=C1CC2C=CC1C2	C16219753
PUBCHEM_839	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_839	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_839	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_839	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_839	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_839	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_839	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_839	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_839	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_839	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_839	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_839	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_839	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_839	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_839	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_839	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_839	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_839	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_839	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_839	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_839	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_839	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_839	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_839	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_839	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_839	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_839	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_839	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_839	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_839	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_839	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_839	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_839	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_839	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_839	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_839	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_839	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_839	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_839	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_839	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_839	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_839	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_839	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_839	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_839	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_839	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_839	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_839	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_839	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_839	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_839	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_839	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_839	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_839	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_839	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_839	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_839	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_839	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_839	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_839	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_839	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_839	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_840	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_840	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_840	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_840	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_840	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_840	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_840	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_840	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_840	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_840	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_840	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_840	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_840	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_840	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_840	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_840	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_840	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_840	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_840	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_840	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_840	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_840	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_840	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_840	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_840	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_840	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_840	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_840	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_840	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_840	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_840	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_840	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_840	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_840	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_840	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_840	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_840	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_840	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_840	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_840	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_840	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_841	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_842	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_842	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_842	O=C(N1CCc2c(C1)cc(cn2)C(F)(F)F)[C@]1(CC[C@H](C1)[NH2+][C@H]1CCOC[C@H]1OC)C(C)C.O=C([O-])CCC(=O)O	C851916422
PUBCHEM_842	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_843	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_843	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_843	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_843	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_843	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_843	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_843	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_843	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_843	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_843	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_843	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_843	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_843	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_848	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_857	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_857	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_857	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_857	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_857	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_857	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_857	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_857	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_857	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_857	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_857	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_857	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_857	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_860	O[C@@H]1C/C(=C/C=C\2/[C@H]3[C@@](CCC2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)/C(=C)CC1	C50146
PUBCHEM_860	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_860	O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C53430
PUBCHEM_860	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_860	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_860	CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	C98319267
PUBCHEM_860	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_860	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_860	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_860	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_860	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_860	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
PUBCHEM_860	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_860	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC1)C)CC[C@H]2C(=O)C)C	C57830
PUBCHEM_860	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_860	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C1)O)C)CC[C@H]2C(=O)CO)C	C50226
PUBCHEM_860	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_860	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_860	O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1	C63058
PUBCHEM_860	O=C1[C@@]2(CC[C@@H](C2(C)C)C1)C	C464493
PUBCHEM_860	C12C3C=CC(C3)C1C=CC2	C77736
PUBCHEM_860	CC1(C(=C)C2CCC1C2)C	C79925
PUBCHEM_860	O=C(CC1C(CCCCC)C(=O)CC1)OC	C24851987
PUBCHEM_860	O=C(C1=C(C)[C@H]2C(C)(C)[C@H]3[C@@](C1)(C2)[C@H](C)CC3)C	C32388559
PUBCHEM_860	O=C1C(C(=O)C(c2ccc(Cl)cc2)c2ccccc2)C(=O)c2c1cccc2	C3691358
PUBCHEM_860	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_860	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_860	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_860	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_860	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_860	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_860	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_860	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@H]1C#N)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C1434544
PUBCHEM_860	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_860	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_860	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_860	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_860	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_860	O=C1c2c(cccc2)C(=O)C1c1nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1.[Na+].[Na+]	C8004920
PUBCHEM_860	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_860	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_860	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_860	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_860	O=C(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C	C13171001
PUBCHEM_860	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_860	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
PUBCHEM_860	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_860	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_860	O=C1N(CC(CC)CCCC)C(=O)C2C1C1CC2C=C1	C113484
PUBCHEM_860	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_860	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
PUBCHEM_860	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_860	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_860	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_860	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_860	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_860	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_860	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_860	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_860	c1ccc2cccc3c2c1CC3	C83329
PUBCHEM_860	c12c3ccccc3c3cccc(c13)c1ccccc1c2	C205992
PUBCHEM_860	c1cccc2c1c1cccc3cccc2c13	C206440
PUBCHEM_860	c1cccc2Cc3ccccc3c12	C86737
PUBCHEM_860	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_860	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_860	O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@H]6[C@H](O5)C[C@@H](CN6)C)C)C(=C4C[C@H]3[C@]2(CC1)C)C	C4449518
PUBCHEM_860	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
PUBCHEM_860	O=C(NS(=O)(=O)c1cc(C(O)(C)C)co1)Nc1c2CCCc2cc2c1CCC2	C210826407
PUBCHEM_860	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
PUBCHEM_860	O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1	C313994795
PUBCHEM_860	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_860	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_860	O=C1C2C(C3C=CC2C3)C(=O)O1	C826620
PUBCHEM_860	Oc1cc2c(cc1)Cc1ccccc21	C6344678
PUBCHEM_860	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_860	O=C(N[C@H](C(=O)O)CC(C)C)OCC1c2ccccc2c2c1cccc2	C35661600
PUBCHEM_860	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_860	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_860	O=C(O)CC[C@@H](C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC[C@H]1[C@]3(C)CC[C@H](C1)O)C	C434139
PUBCHEM_860	O=[N+](c1ccc2c3c1cccc3CC2)[O-]	C602879
PUBCHEM_860	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_860	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_860	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_860	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_860	C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C	C83261
PUBCHEM_860	OC1=C2[C@@](CCC1=O)(C)[C@@H]1[C@@H](CC2)[C@@H]2CCC(=O)[C@@]2(C)CC1	C566483
PUBCHEM_860	O=C(C)[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CC=C1[C@@]3(CC[C@H](O)C1)C)C	C145131
PUBCHEM_860	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
PUBCHEM_860	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_860	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_860	O=C1c2c(cccc2)C(=O)C1C(=O)CC(C)C	C83283
PUBCHEM_860	[O-][N+](=O)c1c2C(C)(C)CC(C)(C)c2cc([N+](=O)[O-])c1C	C116665
PUBCHEM_860	OC1CC(C2CC3CC2C(C)C3(C)C)CCC1	C3407429
PUBCHEM_860	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_860	Oc1cc2c(cc1)c1ccccc1C2	C2443585
PUBCHEM_861	O=C1[C@H]2[C@H](C2)[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@](CC4)(OC(=O)C)C(=O)C)(C)CC3)C=C(Cl)C2=C1)C	C427510
PUBCHEM_861	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
PUBCHEM_861	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
PUBCHEM_861	OC(=O)[C@@H]1[C@@]23C[C@@](O)(CC[C@H]2[C@@]24C=C[C@H](O)[C@@](C)(C(=O)O2)[C@@H]14)C(=C)C3	C77065
PUBCHEM_861	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
PUBCHEM_861	O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)CC1	C521186
PUBCHEM_861	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_861	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
PUBCHEM_861	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
PUBCHEM_861	C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](C#CC)(O)CC1)C	C84371653
PUBCHEM_861	[C@]12([C@H]([C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC1)CC[C@]2(C#C)O)C	C68224
PUBCHEM_861	O=C1C=C2[C@@](CC1)(C)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@]([C@@]2(C)CC1)(C)O	C58184
PUBCHEM_861	O=C1C=C2[C@]([C@H]3CC[C@@]4(C)[C@@H](CC[C@@]54OC(=O)CC5)[C@@H]3[C@H](SC(=O)C)C2)(C)CC1	C52017
PUBCHEM_861	O=C1C=C2C(=C3[C@@H](CC2)[C@@H]2CC[C@H](O)[C@@]2(C)C=C3)CC1	C10161338
PUBCHEM_861	OC1(Cn2ncnc2)C(C)(C)CCC1Cc1ccc(Cl)cc1	C125116236
PUBCHEM_861	OC1(Cn2ncnc2)C(Cc2ccc(Cl)cc2)CCC1C(C)C	C125225287
PUBCHEM_861	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CC[C@@]([C@]2(CC1)CC)(O)C#C	C797637
PUBCHEM_861	O=C(CC)O[C@@H]1[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@]3([C@H]1CC2)C)C	C57852
PUBCHEM_861	O=C(C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)O	C68962
PUBCHEM_861	O=C(C(=C)C)OCCOC1C2CC(C3C2C=CC3)C1	C68169039
PUBCHEM_861	C[C@@]12CC[C@@H](C[C@H]1OC(=O)C)C2(C)C	C76493
PUBCHEM_861	OC1C2(C)CCC(C1(C)C)C2	C1632731
PUBCHEM_861	O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	C124765
PUBCHEM_861	O=C(O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C	C125122
PUBCHEM_861	O=C(CCCCC)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C(=O)C	C630568
PUBCHEM_861	O=P([O-])([O-])OCC(=O)[C@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H]([C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)O)O.[Na+].[Na+]	C2392394
PUBCHEM_861	O=C(C)O[C@@]1(C(=C)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C2919666
PUBCHEM_861	OC1(Cn2ncnc2)C(C)(C)CCC1=Cc1ccc(Cl)cc1	C131983727
PUBCHEM_861	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_861	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_861	O=C1[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]2[C@@](C1)(C)[C@@](CC2)(O)C(=O)CO	C53032
PUBCHEM_861	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_861	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_861	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_861	O=C(CC)O[C@H]1[C@]2(C)CC[C@H](C1)C2(C)C	C2756561
PUBCHEM_861	O=C1OCC(=C1)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](O)C1	C20830755
PUBCHEM_861	F[C@]12[C@@]3(C)C=CC(=O)C=C3CC[C@H]2[C@H]2[C@](C[C@@H]1O)([C@](C(=O)CO)(O)[C@@H](C)C2)C	C378449
PUBCHEM_861	C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(C#C)O)C	C52766
PUBCHEM_861	O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C	C17230885
PUBCHEM_861	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
PUBCHEM_861	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C	C434037
PUBCHEM_861	O=C(C)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C)C2=CC(=O)CC[C@]12C)C(=O)C	C595335
PUBCHEM_861	O=C1C=C2[C@H](CC1)[C@@H]1[C@@H](CC2)[C@@H]2CCC([C@]2(CC1)CC)(O)C#C	C6533002
PUBCHEM_863	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
PUBCHEM_863	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_864	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_864	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_864	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_864	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_864	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_864	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_864	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_864	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_864	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_864	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_864	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_864	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_864	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
PUBCHEM_866	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
PUBCHEM_866	F[C@]12[C@]3(C=CC(=O)C=C3CC[C@H]2[C@H]2[C@@](C[C@@H]1O)(C)[C@](C(=O)CO)(O)[C@@H](C2)O)C	C124947
PUBCHEM_867	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_869	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_872	Clc1ccc2C3(O)N=C(c4ccccc4)SC3Cc2c1	CNOCAS47338
PUBCHEM_878	ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl	C143500
PUBCHEM_878	O=[S@@]1OC[C@@H]2[C@@]3(Cl)C(=C(Cl)[C@](Cl)(C3(Cl)Cl)[C@@H]2CO1)Cl	C959988
PUBCHEM_878	O=S1(=O)OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C1031078
PUBCHEM_878	O=S1OCC2C3(Cl)C(=C(Cl)C(Cl)(C3(Cl)Cl)C2CO1)Cl	C115297
PUBCHEM_878	Cl[C@@]12C(Cl)(Cl)[C@](Cl)(C(=C1Cl)Cl)[C@H]1[C@@H]2[C@H]2C=C[C@H]1C2	C309002
PUBCHEM_878	Cl[C@]12[C@H]3[C@@H]([C@@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)CC(Cl)[C@@H]3Cl	C57749
PUBCHEM_878	O=C(O)C1C2(Cl)C(=C(Cl)C(C2(Cl)Cl)(Cl)C1C(=O)O)Cl	C115286
PUBCHEM_878	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C60571
PUBCHEM_878	ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(Cl)Cl)[C@H]1[C@@H]2O[C@@H]2[C@@H]3C1	C72208
PUBCHEM_878	ClC1C=CC2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl	C76448
PUBCHEM_878	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl	C2385855
PUBCHEM_878	ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl	C1024573
PUBCHEM_878	[C@@H]12[C@@H]([C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(=C3Cl)Cl)[C@H]1C=C[C@H]2C1	C465736
TX_1_Phenol	Nc1ccc(OC)cc1.Cl	C20265978
TX_1_Phenol	C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	C80057
TX_1_Phenol	C(=O)(c1ccc(cc1)O)OCCCC	C94268
TX_1_Phenol	CC(c1c(ccc(c1)C)O)(C)C	C2409554
TX_1_Phenol	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	C128370
TX_1_Phenol	O=C(O)CC(C(=O)O)(O)CC(=O)O.ClC(=C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1	C50419
TX_1_Phenol	BrC(=C[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)Br	C52918635
TX_1_Phenol	O=C(COc1c(Cl)cc(Cl)cc1)OCCCC	C94804
TX_1_Phenol	Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC	C56531
TX_1_Phenol	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c2cc1	C50282
TX_1_Phenol	C=CCc1ccc(cc1)OC	C140670
TX_1_Phenol	[C@@H]12[C@H]([C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC1)CCc1cc(O)ccc21	C57636
TX_1_Phenol	O=C(C(c1ccc(cc1)Cl)C(C)C)OC(c1cccc(c1)Oc1ccccc1)C#N	C51630581
TX_1_Phenol	Cc1c(cc(cc1)C)OCCCC(C(=O)O)(C)C	C25812300
TX_1_Phenol	C(=C\1/C=C/C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])/CC)/C=C1)(/c1c(cc(cc1)O)S(=O)(=O)[O-])\c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]	C2353459
TX_1_Phenol	O=c1c2c(cc(cc2O)O)oc(c1O)c1ccc(cc1)O	C520183
TX_1_Phenol	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@@](O)(CC[C@@H]34)C#C)c2cc1	C72333
TX_1_Phenol	ClC(C(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl	C72435
TX_1_Phenol	COc1ccc(cc1)O	C150765
TX_1_Phenol	Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(cc(c1O)C(C)(C)C)C	C119471
TX_1_Phenol	c12c(cc(cc1ccc(c2/N=N/c1ccccc1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	C1936158
TX_1_Phenol	Clc1c(c(c(c(c1OC)Cl)Cl)Cl)Cl	C1825214
TX_1_Phenol	Oc1ccc(cc1)c1ccccc1	C92693
TX_1_Phenol	Cc1cc(c2cc(C)c(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)ccc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+]	C6459945
TX_1_Phenol	[O-]c1c(I)cc2c(c3c(C(=O)[O-])cccc3)c3cc(c(=O)c(I)c3oc2c1I)I.[Na+].[Na+]	C16423680
TX_1_Phenol	O=S(=O)(c1c2c(cccc2)c(O)c(N=Nc2cc(S(=O)(=O)[O-])c(C)cc2C)c1)[O-].[Na+].[Na+]	C4548532
TX_1_Phenol	O=C(C)Oc1c(C)c2c(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)c(C)c1C	C52225204
TX_1_Phenol	Clc1c(OCC(=O)O)cc(Cl)c(Cl)c1	C93765
TX_1_Phenol	O=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1	C1330785
TX_1_Phenol	Oc1cc(cc2c1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O	C17924924
TX_1_Phenol	c1(O)ccccc1C(=O)N	C65452
TX_1_Phenol	Clc1c(O)c(Cl)cc(c1)C(c1cc(Cl)c(O)c(c1)Cl)(C)C	C79958
TX_1_Phenol	Oc1cc(C(F)(F)F)c([N+](=O)[O-])cc1	C88302
TX_1_Phenol	Oc1c([N+](=O)[O-])cccc1	C88755
TX_1_Phenol	O=Cc1ccccc1O	C90028
TX_1_Phenol	Oc1cccc2ccccc12	C90153
TX_1_Phenol	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	C97234
TX_1_Phenol	c1ccccc1Oc1ccccc1	C101848
TX_1_Phenol	Oc1ccc(Cl)cc1	C106489
TX_1_Phenol	c1cccc(O)c1C(=O)Oc1ccccc1	C118558
TX_1_Phenol	Oc1c(Br)cc(Br)cc1Br	C118796
TX_1_Phenol	O=Cc1cc(OCC)c(O)cc1	C121324
TX_1_Phenol	Oc1ccc(CC)cc1	C123079
TX_1_Phenol	COc1ccc(OC)cc1	C150787
TX_1_Phenol	Oc1ccc(CCC)cc1	C645567
TX_1_Phenol	Nc1ccc(OCCCCCC)cc1	C39905572
TX_1_Phenol	O=c1c(c2ccc(cc2)O)coc2c1c(cc(c2)O)O	C446720
TX_1_Phenol	O=c1c(c2ccc(O)cc2)coc2c1ccc(O)c2	C486668
TX_1_Phenol	c1(c(ccc(c1)O)c1ccccc1)Cl	C92046
TX_1_Phenol	C(c1ccc(cc1)O)(CC(C)(C)C)(C)C	C140669
TX_1_Phenol	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)C[C@H]([C@H]2O)O)C	C50271
TX_1_Phenol	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CCC2=O)C	C53167
TX_1_Phenol	Oc1cc2c([C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C2)cc1	C129453618
TX_1_Phenol	[C@]12([C@H]([C@@H]3CCc4c([C@H]3CC1)ccc(O)c4)CC[C@@H]2O)C	C57910
TX_1_Phenol	Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c1ccc(cc1)O	C84162
TX_1_Phenol	c12c(=O)cc(oc1cc(cc2O)O)c1ccc(cc1)O	C520365
TX_1_Phenol	c1(=O)c2c(cc(cc2O)O)occ1c1ccc(cc1)OC	C491805
TX_1_Phenol	c12c(=O)cc(oc1cc(cc2O)O)c1ccccc1	C480400
TX_1_Phenol	c1(C(=O)c2ccccc2)c(cc(cc1)OC)O	C131577
TX_1_Phenol	c1(C(=O)c2ccccc2)c(cc(cc1)O)O	C131566
TX_1_Phenol	S1(=O)(=O)OC(c2ccc(cc2)O)(c2ccc(cc2)O)c2c1cccc2	C143748
TX_1_Phenol	S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O	C80091
TX_1_Phenol	C(c1c(c(C(C)(C)C)cc(c1)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)O)(C)(C)C	C118821
TX_1_Phenol	O=C(C)NCCc1c[nH]c2c1cc(OC)cc2	C73314
TX_1_Phenol	C(CCC(=O)O)(c1ccc(cc1)O)(c1ccc(cc1)O)C	C126001
TX_1_Phenol	Oc1c(O)ccc(CC(C)C(C)Cc2ccc(O)c(O)c2)c1	C500389
TX_1_Phenol	c1(c(C(=O)O)cccc1)C(c1ccc(cc1)O)c1ccc(cc1)O	C81903
TX_1_Phenol	C(c1ccc(cc1)O)(c1ccc(cc1)O)(CC)C	C77407
TX_1_Phenol	C(c1c(O)cccc1)c1c(O)cccc1	C2467029
TX_1_Phenol	c1(c(CC)cccc1)O	C90006
TX_1_Phenol	c1c(O)cccc1CC	C620177
TX_1_Phenol	c1(ccc(cc1)CCCCCCCCCCCC)O	C104438
TX_1_Phenol	c1(c(ccc(c1)Cl)O)C	C1570645
TX_1_Phenol	C(=O)(c1ccc(cc1)O)OCCCCCCC	C1085127
TX_1_Phenol	C(=O)(c1ccc(cc1)O)OCC(CC)CCCC	C5153253
TX_1_Phenol	C(=O)(OCc1ccccc1)c1ccc(O)cc1	C94188
TX_1_Phenol	C(=O)(c1ccc(cc1)O)OCC	C120478
TX_1_Phenol	C(c1ccc(cc1)O)(c1ccccc1)(C)C	C599644
TX_1_Phenol	c1c(CC(=O)N)ccc(OCC(O)CNC(C)C)c1	C29122687
TX_1_Phenol	c1cccc(OC)c1O	C90051
TX_1_Phenol	OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1	C6893023
TX_1_Phenol	c1(C(C)C)cccc(C(C)C)c1O	C2078548
TX_1_Phenol	[O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1	C311455
TX_1_Phenol	COC(=O)C(C)Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F	C69806402
TX_1_Phenol	O=C(O)CCCOc1c(C)cc(Cl)cc1	C94815
TX_1_Phenol	O=C(O)C(C)Oc1c(C)cc(Cl)cc1	C93652
TX_1_Phenol	Cc1cc(O)ccc1	C108394
TX_1_Phenol	O=C(Nc1cc(C)ccc1)Oc1cc(NC(=O)OC)ccc1	C13684634
TX_1_Phenol	O=C(OCc1ccccc1)c1ccccc1O	C118581
TX_1_Phenol	CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)C	C1675543
TX_1_Phenol	Oc1cc(Cl)ccc1Cl	C583788
TX_1_Phenol	N(C)(C)c1cccc(O)c1	C99070
TX_1_Phenol	Cc1c(C)cccc1O	C526750
TX_1_Phenol	Cc1cc(C)cc(O)c1	C108689
TX_1_Phenol	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(Br)c([O-])c(Br)c2oc2c1cc(Br)c(=O)c2Br	C17372871
TX_1_Phenol	O=P(Oc1ccccc1)(Oc1ccccc1)OCC(CC)CCCC	C1241947
TX_1_Phenol	Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1	C6088513
TX_1_Phenol	OS(=O)(=O)O.Oc1c2c(cccn2)ccc1.Oc1c2c(cccn2)ccc1	C134316
TX_1_Phenol	O(c1ccc(N)cc1)CC	C156434
TX_1_Phenol	O=C(OC1CC(C)CC(C)(C)C1)c1ccccc1O	C118569
TX_1_Phenol	O(C)c1cc(C=O)ccc1OC	C120149
TX_1_Phenol	O=C(O)c1ccccc1O	C69727
TX_1_Phenol	Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C	C90722
TX_1_Phenol	O=C(O)c1ccc(O)cc1	C99967
TX_1_Phenol	c1(OCCOc2ccccc2)ccccc1	C104665
TX_1_Phenol	O=Cc1ccc(OC)cc1	C123115
TX_1_Phenol	Oc1ccc2ccccc2c1	C135193
TX_1_Phenol	[O-]c1ccccc1.[Na+]	C139026
TX_1_Phenol	OC(C)COc1ccccc1	C770354
TX_1_Phenol	O=S(=O)(c1ccccc1O)O	C1333397
TX_1_Phenol	Oc1cccc2c1OC(C)(C)C2	C1563388
TX_1_Phenol	Oc1c(n2nc3ccccc3n2)cc(C)cc1	C2440224
TX_1_Phenol	O=C(COc1c(Cl)cc(Cl)cc1)[O-].[Na+]	C2702729
TX_1_Phenol	O=C(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	C6683198
TX_1_Phenol	OCc1cccc(Oc2ccccc2)c1	C13826352
TX_1_Phenol	CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1	C25550985
TX_1_Phenol	Oc1c(CCCCCCCCCCCC)cccc1	C27193868
TX_1_Phenol	BrCc1cccc(Oc2ccccc2)c1	C51632167
TX_1_Phenol	Oc1ccc(CCCCCCC(C)C)cc1	C84852153
TX_1_Phenol	O=C(c1ccc(O)cc1)C	C99934
TX_1_Phenol	Oc1c(C(C)(C)C)cc(CC)cc1C(C)(C)C	C4130421
TX_1_Phenol	O=C(C(Cl)Cl)N1C(C)COc2c1cccc2	C98730042
TX_1_Phenol	O=C(COc1c(Cl)cc(Cl)cc1)OCCOCCCC	C1929733
TX_1_Phenol	Oc1cc(C)c(Cl)c(C)c1	C88040
TX_1_Phenol	S=P(OC)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	C3383968
TX_1_Phenol	O=C(/C(=N/OC)/c1c(COc2c(C)cccc2)cccc1)OC	C143390890
TX_1_Phenol	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H]1[C@H](/C=C(\Cl)/C(F)(F)F)C1(C)C	C91465086
TX_1_Phenol	S=P(SCCC)(OCC)Oc1ccc(cc1)SC	C35400432
TX_1_Phenol	O=C(OCc1cccc(Oc2ccccc2)c1)[C@H]1C(C)(C)C1C=C(C)C	C26002802
TX_1_Phenol	CCCCCCCCCc1ccc(O)cc1	C104405
TX_1_Phenol	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2ccc(O)cc2sc1c1ccc(O)cc1.Cl	C82640048
TX_1_Phenol	CN(C)CCOc1ccc(cc1)/C(=C(/CC)\c1ccccc1)/c1ccccc1	C10540291
TX_1_Phenol	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O	C79572
TX_1_Phenol	O=C(COc1ccc(Cl)cc1)O	C122883
TX_1_Phenol	O=C(NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1)c1c(F)cccc1F	C103055078
TX_1_Phenol	O=C([O-])c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.[Na+]	C125401925
TX_1_Phenol	O=C(Nc1cc(OC(=O)Nc2ccccc2)ccc1)OCC	C13684565
TX_1_Phenol	O=C(CBr)c1ccc(O)cc1	C2491385
TX_1_Phenol	O=C(OCC)[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C71283802
TX_1_Phenol	O=C([O-])COc1c(C)cc(Cl)cc1.[Na+]	C3653483
TX_1_Phenol	[O-]c1c([N+](=O)[O-])cccc1.[Na+]	C824395
TX_1_Phenol	C[N+](CCOCCOc1ccc(C(C)(C)CC(C)(C)C)c(C)c1)(C)Cc1ccccc1.[Cl-]	C25155184
TX_1_Phenol	OCCOCCOc1ccc(CCCCCCCCC)cc1	C26027383
TX_1_Phenol	Oc1ccc(cc1)C(=C(CC)c1ccccc1)c1ccc(cc1)OCCN(C)C	C68392358
TX_1_Phenol	O=C(Nc1cc(OC(C)C)ccc1)c1c(C)cccc1	C55814410
TX_1_Phenol	Oc1ccc(CCCCCCC)cc1	C1987504
TX_1_Phenol	Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(cc2)O)cc1	C1478611
TX_1_Phenol	OC(=O)c1c(O)c2ccccc2c(O)c1	C31519229
TX_1_Phenol	O=C(Oc1ccc(C(C)(C)C)cc1)c1ccccc1O	C87183
TX_1_Phenol	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	C4638486
TX_1_Phenol	Nc1ccc([N+](=O)[O-])cc1OC	C97529
TX_1_Phenol	Oc1c(Cc2c(c(C(C)(C)C)cc(CC)c2)O)cc(CC)cc1C(C)(C)C	C88244
TX_1_Phenol	O=S(=O)(c1ccc(cc1)N=Nc1c(O)ccc2ccccc12)[O-].[Na+]	C633965
TX_1_Phenol	Oc1cc2Oc3c(C4(c2cc1)OC(=O)c1c4cccc1)ccc(c3)O	C2321075
TX_1_Phenol	O=C(O)c1ccccc1OCCCCCC	C6259763
TX_1_Phenol	O=C(c1ccccc1O)C	C118934
TX_1_Phenol	O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1CCCCCC(C)C)/C=C/C	C39300453
TX_1_Phenol	O=c1c(O)c(c2c(O)cc(O)cc2)oc2c1c(O)cc(O)c2.O.O	C654055013
TX_1_Phenol	[O-]c1c(c2ccccc2)cccc1.[Na+].O.O.O.O	C6152336
TX_1_Phenol	Oc1ccccc1/C=N/CC(C)/N=C/c1ccccc1O	C94917
TX_1_Phenol	Oc1ccccc1CN(C)C	C120650
TX_1_Phenol	O=C(c1c(O)cc(O)cc1)c1ccc(O)cc1O	C131555
TX_1_Phenol	O=C(COc1c(Cl)cc(Cl)cc1)OCC	C533233
TX_1_Phenol	Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C	C489010
TX_1_Phenol	O=c1oc2c(c(OC)cc(OC)c2)cc1	C487069
TX_1_Phenol	O=C(OC)c1c(O)c(C)c(O)cc1C	C4707475
TX_1_Phenol	N#Cc1c(O)cccc1	C611201
TX_1_Phenol	O=S1(=O)OC(c2c1cccc2)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C115399
TX_1_Phenol	Oc1c(N=Nc2ccc(C)cc2C)c(O)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]	C1320076
TX_1_Phenol	Oc1c(/N=N/c2c(C)cc(S(=O)(=O)[O-])cc2)c2ccccc2cc1.[Na+]	C5850862
TX_1_Phenol	Oc1c2c(NC(=O)C)cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1/N=N/c1ccccc1OC.[Na+].[Na+]	C6625463
TX_1_Phenol	O=C(Nc1ccc2c(cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c2O)c1)c1ccccc1.[Na+].[Na+]	C2610119
TX_1_Phenol	CCOc1ccc(cc1)N=Nc1ccc(C=Cc2ccc(N=Nc3ccc(OCC)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]	C2870328
TX_1_Phenol	Clc1ccc(OCC(=O)OC(C)CCCCC)c2ncccc12	C99607702
TX_1_Phenol	O=P(Oc1ccccc1)Oc1ccccc1	C4712554
TX_1_Phenol	O=C(NC(=O)Nc1c(F)cc(Oc2c(Cl)cc(C(F)(F)F)cc2)cc1)c1c(F)cccc1F	C101463698
TX_1_Phenol	Oc1cc(C(C)C)ccc1C	C499752
TX_1_Phenol	Oc1c(C(C)C)cc(C(C)C)cc1	C2934056
TX_1_Phenol	Oc1c(OCC)cccc1	C94713
TX_1_Phenol	Oc1ccc(C(C)C)cc1	C99898
TX_1_Phenol	COc1ccc(CCC)cc1	C104450
TX_1_Phenol	O=S(=O)(c1c(OC)cc(O)c(C(=O)c2ccccc2)c1)O	C4065456
TX_1_Phenol	Oc1c(C(C)C)cccc1	C88697
TX_1_Phenol	Oc1cc(C(C)C)ccc1	C618451
TX_1_Phenol	O=S(=O)(c1cc2c(c(O)c1N=Nc1ccccc1)c(NC(=O)C)cc(S(=O)(=O)[O-])c2)[O-].[Na+].[Na+]	C3734676
TX_1_Phenol	[O-]S(=O)(=O)c1cc2c(c(O)c1)c(/N=N/c1ccccc1C(F)(F)F)c(N)cc2.[Na+]	C67786145
TX_1_Phenol	O=S(=O)(c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(OC)cc3)cc2C)cc1)[O-].[Na+]	C68555862
TX_1_Phenol	Oc1cc(C(C)(C)C)ccc1	C585342
TX_1_Phenol	OC(=O)Cc1cc(I)c(c(I)c1)Oc1cc(I)c(cc1)O	C51241
TX_1_Phenol	O=C(OCC(CC)CCCC)/C=C/c1ccc(OC)cc1	C83834597
TX_1_Phenol	Oc1ccc(CCCC)cc1	C1638228
TX_1_Phenol	O=C1[C@]2(C)[C@@H](CC1)C1=CCc3c(ccc(O)c3)[C@H]1CC2	C474862
TX_1_Phenol	OCCOCCOc1ccc(CCCCCCC(C)C)cc1	C68412544
TX_1_Phenol	O=C(c1ccccc1)c1ccccc1O	C117997
TX_1_Phenol	O=C(Oc1ccccc1)c1ccc(cc1)O	C17696627
TX_1_Phenol	O=C(OCCCCCCCC)c1ccc(cc1)O	C1219381
TX_1_Phenol	O=C1OC[C@@H]([C@H]1Cc1cc(O)ccc1)Cc1cccc(O)c1	C78473719
TX_1_Phenol	Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Oc1c(O)ccc2c1c1c3[C@H](N(C)CCc3ccc1)C2.Cl.Cl.O	C41372207
TX_1_Phenol	O=C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)O	C67301
TX_1_Phenol	O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1	C1166525
TX_1_Phenol	Oc1ccc(OCCCCCC)cc1	C18979550
TX_1_Phenol	Nc1ccc(cc1)OCCCC	C4344552
TX_1_Phenol	O=P(Oc1ccccc1)(O)Oc1ccccc1	C838857
TX_1_Phenol	O=C(Oc1ccccc1)c1ccccc1	C93992
TX_1_Phenol	OC(=O)c1c(ccc(c1)Oc1ccc(cc1Cl)C(F)(F)F)[N+](=O)[O-]	C50594666
TX_1_Phenol	Oc1c(cc(cc1)Cl)Cc1ccccc1	C120321
TX_1_Phenol	O=C(Oc1c2c(ccc1)cccc2)NC	C63252
TX_1_Phenol	Cc1c(Cl)c(=O)oc2c1ccc(c2)OP(=S)(OCC)OCC	C56724
TX_1_Phenol	Clc1c(OC(C)C(=O)O)ccc(Cl)c1	C120365
TX_1_Phenol	Clc1c(ccc(c1)Cl)OCC(=O)O	C94757
TX_1_Phenol	S=P(Oc1cc(c(cc1)SC)C)(OC)OC	C55389
TX_1_Phenol	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OC)OC	C298000
TX_1_Phenol	S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC	C56382
TX_1_Phenol	Oc1c(cccc1)c1ccccc1	C90437
TX_1_Phenol	CCCc1cc2c(cc1COCCOCCOCCCC)OCO2	C51036
TX_1_Phenol	O=C1[C@H]2c3cc(OC)c(cc3OC[C@H]2Oc2c1ccc1c2C[C@@H](O1)C(=C)C)OC	C83794
TX_1_Phenol	CC(C)Oc1ccccc1OC(=O)NC	C114261
TX_1_Phenol	c1ccccc1OCCO	C122996
TX_1_Phenol	c1c(Br)c(O)c(Br)cc1C#N	C1689845
TX_1_Phenol	c1ccc(Oc2ccccc2)cc1COC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52645531
TX_1_Phenol	C(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)(Cl)Cl	C2971360
TX_1_Phenol	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.O.O	C6153646
TX_1_Phenol	CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1	C76578148
TX_1_Phenol	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	C43121433
TX_1_Phenol	N#CC(c1cccc(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C52315078
TX_1_Phenol	O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C	C39515418
TX_1_Phenol	COc1c(c(Cl)ccc1Cl)C(=O)O	C1918009
TX_1_Phenol	OC(=O)CCCOc1ccc(Cl)cc1Cl	C94826
TX_1_Phenol	Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC	C22224926
TX_1_Phenol	CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	C66332965
TX_1_Phenol	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	C82558507
TX_1_Phenol	Clc1cc(ccc1Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+](=O)[O-])C(F)(F)F	C77501634
TX_1_Phenol	O=C(O)COc1c(C)cc(Cl)cc1	C94746
TX_1_Phenol	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	C15299997
TX_1_Phenol	O=c1oc(nn1c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	C19666309
TX_1_Phenol	Clc1cc(ccc1Oc1ccc([N+](=O)[O-])c(OCC)c1)C(F)(F)F	C42874033
TX_1_Phenol	O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n1ccnc1	C67747095
TX_1_Phenol	CC(C)(C)c1ccc(cc1)OC1CCCCC1OS(=O)OCC#C	C2312358
TX_1_Phenol	O(C)c1cc(Cl)c(OC)cc1Cl	C2675776
TX_1_Phenol	O=C(NC)Oc1cccc2c1OC(C)(C)O2	C22781233
TX_1_Phenol	O=C(OCC#C)[C@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C	C105512069
TX_1_Phenol	Clc1cc(Oc2ccc(Cl)cc2)ccc1C1(OC(C)CO1)Cn1ncnc1	C119446683
TX_1_Phenol	O=C(OCC)C(Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C	C66441234
TX_1_Phenol	O=C(NCCOc1ccc(Oc2ccccc2)cc1)OCC	C72490018
TX_1_Phenol	FC1(F)Oc2c(O1)cccc2c1c[nH]cc1C#N	C131341861
TX_1_Phenol	CN(C)C=Nc1cc(OC(=O)NC)ccc1.Cl	C23422539
TX_1_Phenol	O=P(SCCC)(OCC)Oc1ccc(cc1Cl)Br	C41198087
TX_1_Phenol	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(Cl)cc1	C55219653
TX_1_Phenol	Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	C3380345
TX_1_Phenol	N#Cc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C\OC)/C(=O)OC)c1	C131860338
TX_1_Phenol	O=C(NNc1c(OC)ccc(c2ccccc2)c1)OC(C)C	C149877418
TX_1_Phenol	O=C(Nc1c(Cl)c(Cl)c(O)cc1)C1(C)CCCCC1	C126833178
TX_1_Phenol	O=C(OC(C)(C)C)c1ccc(cc1)CO/N=C/c1c(C)nn(c1Oc1ccccc1)C	C111812589
TX_1_Phenol	O=C1C2=C(CCCC2)C(=O)N1c1cc(OCC(=O)OCCCCC)c(Cl)cc1F	C87546187
TX_1_Phenol	Fc1cc2OCC(=O)N(c2cc1N1C(=O)C2=C(CCCC2)C1=O)CC#C	C103361097
TX_1_Phenol	Clc1cc(Cl)ccc1Oc1ccc(OC(C)C(=O)OC)cc1	C51338273
TX_1_Phenol	S=P(OC)(OC)Oc1ccc([N+](=O)[O-])c(C)c1	C122145
TX_1_Phenol	O=C(NN(C(C)(C)C)C(=O)c1cc(C)cc(C)c1)c1c(C)c(OC)ccc1	C161050584
TX_1_Phenol	CC(Oc1ncccc1)COc1ccc(cc1)Oc1ccccc1	C95737681
TX_1_Phenol	O=C(O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C(C)C)c1ccc(Cl)cc1	C66230044
TX_1_Phenol	O=C(N(c1ccc(cc1)OC(F)(F)F)C(=O)OC)N1N=C2c3ccc(Cl)cc3C[C@]2(C(=O)OC)OC1	C173584446
TX_1_Phenol	O=C(O)C(Oc1cc(Cl)ccc1)C	C101100
TX_1_Phenol	O=C([C@H](Oc1ccc(Oc2c(F)cc(C#N)cc2)cc1)C)OCCCC	C122008859
TX_1_Phenol	Clc1ccc(cc1)C(=CC(=O)N1CCOCC1)c1cc(OC)c(OC)cc1	C110488705
TX_1_Phenol	O=S(=O)(Oc1cc2c(cc1)OC(OCC)C2(C)C)C	C26225796
TX_1_Phenol	Fc1c(c(F)ccc1)C1=NC(c2c(OCC)cc(C(C)(C)C)cc2)CO1	C153233911
TX_1_Phenol	O=C1OC(c2ccc(Oc3ccccc3)cc2)(C)C(=O)N1Nc1ccccc1	C131807573
TX_1_Phenol	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc1ncc(cc1)C(F)(F)F	C69806504
TX_1_Phenol	Clc1cc(F)c(n2ncc(C(F)(F)F)c(C)c2=O)cc1OCC(=O)OCC	C188489078
TX_1_Phenol	Clc1c(Oc2ncnc(Oc3c(C(=NOC)C4=NOCCO4)cccc3)c2F)cccc1	C361377299
TX_1_Phenol	O=C(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F	C116714466
TX_1_Phenol	FC(F)(F)c1c(S(=O)(=O)Nc2nn3c(OC)ncc(OC)c3n2)c(OCC(F)F)ccc1	C219714962
TX_1_Phenol	O=C(OCCCC)[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C	C79241466
TX_1_Phenol	O=C(COc1c(Cl)cc(F)c(c2nn(C)c(OC(F)F)c2Cl)c1)OCC	C129630199
TX_1_Phenol	Clc1c2c(Oc3ccc(F)cc3)ccnc2cc(Cl)c1	C124495187
TX_1_Phenol	N#CC(c1ccc(F)c(Oc2ccccc2)c1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl	C68359375
TX_1_Phenol	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(O)ccc(Cl)c1	C50657
TX_1_Phenol	c1(ccc(cc1)O)NC(=O)C	C103902
TX_1_Phenol	C/C=C/c1ccc(cc1)OC	C4180238
TX_1_Phenol	OC(=O)c1c(cccc1)OC(=O)C	C50782
TX_1_Phenol	Oc1c(cc(cc1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	C88857
TX_1_Phenol	CC(C)(C)c1cc(O)ccc1O	C1948330
TX_1_Phenol	C(c1ccc(O)cc1)(C)(C)C	C98544
TX_1_Phenol	O=C(NC)Oc1cccc2CC(Oc12)(C)C	C1563662
TX_1_Phenol	Oc1c(cccc1)O	C120809
TX_1_Phenol	CC(Oc1ccc(cc1)Cl)(C(=O)OCC)C	C637070
TX_1_Phenol	Nc1cc(ccc1OC)C	C120718
TX_1_Phenol	Clc1c(ccc(c1)Cl)O	C120832
TX_1_Phenol	Nc1ccc(c2ccc(N)c(OC)c2)cc1OC.Cl.Cl	C20325400
TX_1_Phenol	Oc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]	C51285
TX_1_Phenol	CC1=CC(Nc2c1cc(cc2)OCC)(C)C	C91532
TX_1_Phenol	Oc1c(cc(cc1)CC=C)OC	C97530
TX_1_Phenol	Oc1c(ccc(c1)O)CCCCCC	C136776
TX_1_Phenol	Oc1ccc(cc1)O	C123319
TX_1_Phenol	Oc1cccc2cccnc12	C148243
TX_1_Phenol	Cc1c(c2c(ccc(c2)OC)n1C(=O)c1ccc(cc1)Cl)CC(=O)O	C53861
TX_1_Phenol	OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.OC(=O)[C@](N)(C)Cc1cc(O)c(cc1)O.O.O.O	C41372081
TX_1_Phenol	O=[N+](c1cc(c(cc1)OC)N)[O-]	C99592
TX_1_Phenol	Clc1c(ccc(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]	C1836755
TX_1_Phenol	Nc1ccc(cc1)Oc1ccc(cc1)N	C101804
TX_1_Phenol	O=C1[C@]2(C(=C3[C@@H]([C@@](O)(C)c4c(c(O)ccc4)C3=O)[C@@H]([C@H]2[C@H](N(C)C)C(=C1C(=O)N)O)O)O)O.Cl	C2058460
TX_1_Phenol	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	C87865
TX_1_Phenol	Oc1ccccc1	C108952
TX_1_Phenol	O=C1OC(c2c1cccc2)(c1ccc(cc1)O)c1ccc(cc1)O	C77098
TX_1_Phenol	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	C842079
TX_1_Phenol	O=C(c1cc(c(c(c1)O)O)O)OCCC	C121799
TX_1_Phenol	O=c1c2c(cc(cc2O)O)oc(c1O)c1cc(c(cc1)O)O	C117395
TX_1_Phenol	O=C(c1cc(OC)c(OC)c(OC)c1)O[C@@H]1C[C@H]2[C@H](C[C@H]3N(C2)CCc2c3[nH]c3c2ccc(c3)OC)[C@H](C(=O)OC)[C@H]1OC	C50555
TX_1_Phenol	Oc1cc(ccc1)O	C108463
TX_1_Phenol	O=C1c2c3c4c(O)c(C)c2O[C@]1(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)Nc(c4O)c(/C=N/N1CCN(C)CC1)c3O)/C)C)O	C13292461
TX_1_Phenol	C=CCc1ccc2c(c1)OCO2	C94597
TX_1_Phenol	c1cccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)n1	C599791
TX_1_Phenol	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(=O)C(CC(=O)O)(O)CC(=O)O	C54965241
TX_1_Phenol	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	C732263
TX_1_Phenol	Oc1c(cc(cc1Cl)Cl)Cl	C88062
TX_1_Phenol	O=S(=O)(c1ccc2c(ccc(O)c2/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1)[O-].[Na+].[Na+]	C2783940
TX_1_Phenol	Oc1ccccc1Cl	C95578
TX_1_Phenol	Oc1cc(C)c(Cl)cc1	C59507
TX_1_Phenol	C(c1ccc(cc1)O)(CC)(C)C	C80466
TX_1_Phenol	Oc1c(C)cccc1	C95487
TX_1_Phenol	Oc1ccc([N+](=O)[O-])cc1	C100027
TX_1_Phenol	Oc1c(C)cc(C)cc1	C105679
TX_1_Phenol	Oc1ccc(C)cc1	C106445
TX_1_Phenol	c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	C115866
TX_1_Phenol	c1(C=O)cc(OC)c(O)cc1	C121335
TX_1_Phenol	Oc1c(C)cc(C)cc1C	C527606
TX_1_Phenol	Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	C534521
TX_1_Phenol	CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c1ccccc1	C2104645
TX_1_Phenol	Oc1c(C)c(C)ccc1C	C2416946
TX_1_Phenol	Oc1ccc(CCCCCCCC)cc1	C1806264
TX_1_Phenol	c1(c(O)cccc1)C(CC)C	C89725
TX_1_Phenol	c1(ccc(cc1)O)C(CC)C	C99718
TX_1_Phenol	Oc1ccc(C=CC)cc1OC	C97541
TX_1_Phenol	C(=O)(c1ccc(cc1)O)OCCC	C94133
TX_1_Phenol	C(=O)(c1ccc(cc1)O)OC	C99763
TX_1_Phenol	O[C@H]1[C@@H]([C@H]([C@H](c2c(c3C(=O)c4c(c(C(=O)O)c(cc4C(=O)c3c(O)c2O)O)C)O)O[C@@H]1CO)O)O	C1260179
TX_1_Phenol	[C@@]12(C(=C3C(=O)c4c(O)cccc4[C@]([C@H]3C[C@H]1[C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)(O)C)O)O	C60548
TX_1_Phenol	c1(C)c(O)c(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2	C97322877
TX_1_Phenol	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O	C140647
TX_1_Phenol	Nc1c(OC)cccc1	C90040
TX_1_Phenol	Brc1ccc(Oc2ccccc2)cc1	C101553
TX_1_Phenol	CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	C55285148
TX_1_Phenol	Oc1cc(C)c(C)cc1	C95658
TX_1_Phenol	Oc1c(cccc1C)C	C576261
TX_1_Phenol	Clc1cc(ccc1Oc1cc(C(=O)NS(=O)(=O)C)c(cc1)[N+](=O)[O-])C(F)(F)F	C72178020
TX_1_Phenol	Clc1c(O)cc(Cl)c(Cl)c1	C95954
TX_1_Phenol	[O-]S(=O)(=O)c1ccc2c(c1)ccc(O)c2/N=N/c1cc(C)c(S(=O)(=O)[O-])cc1OC.[Na+].[Na+]	C25956176
TX_1_Phenol	Oc1c(ccc(N)c1)C	C2835952
TX_1_Phenol	O=C1c2c(O)cccc2Cc2cccc(O)c12	C1143380
TX_1_Phenol	O=c1cc2[C@@H](NC(=O)C)CCc3c(c2ccc1OC)c(c(c(c3)OC)OC)OC	C64868
TX_1_Phenol	O(c1c(N)ccc(c2ccc(N)c(OC)c2)c1)C	C119904
TX_1_Phenol	Oc1c(ccc(C)c1)C	C95874
TX_1_Phenol	OC(c1cc(O)c(cc1)O)CNC(C)C.Cl	C51309
TX_1_Phenol	O(C)c1cc(CC=C)ccc1OC	C93152
TX_1_Phenol	O=C(OC)c1c(O)cccc1	C119368
TX_1_Phenol	O=C(c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	C1401554
TX_1_Phenol	C(C)(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	C79947
TX_1_Phenol	O(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1	C101020
TX_1_Phenol	Oc1c(C(C)(C)C)cccc1	C88186
TX_1_Phenol	Oc1c(C(C)(C)C)ccc(C)c1	C88608
TX_1_Phenol	Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1	C96764
TX_1_Phenol	Oc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1	C120956
TX_1_Phenol	Oc1c(C(C)(C)C)cccc1C(C)(C)C	C128392
TX_1_Phenol	[O-]c1ccc([N+](=O)[O-])cc1.[Na+]	C824782
TX_1_Phenol	O=C(c1ccccc1)c1c(O)cc(OCCCCCCCC)cc1	C1843056
TX_1_Phenol	Oc1c(n2nc3ccccc3n2)cc(C(C)(C)CC(C)(C)C)cc1	C3147759
TX_1_Phenol	Oc1c(C(c2ccccc2)(C)C)cc(C(c2ccccc2)(C)C)cc1	C2772454
TX_1_Phenol	O=C(OC(C)C)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	C49562289
TX_1_Phenol	O=C(C)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1cncc1)c1ccc(Cl)cc1Cl	C65277421
TX_1_Phenol	CC(c1ccc(OCC)cc1)(C)COCc1cc(Oc2ccccc2)ccc1	C80844071
TX_1_Phenol	Clc1c(OC(F)(C(F)F)F)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1	C86479063
TX_1_Phenol	Oc1cc(C)ccc1C(C)C	C89838
TX_1_Phenol	O=C(c1cc(I)c(c(I)c1)OCCN(CC)CC)c1c(CCCC)oc2c1cccc2.Cl	C19774824
TX_1_Phenol	Oc1ccc(C(c2ccc(cc2)O)(C)c2ccc(cc2)O)cc1	C27955948
TX_1_Phenol	O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)ccc1	C744456
TX_1_Phenol	Oc1c2ccc3c4c2c(ccc4ccc3)cc1	C5315797
TX_1_Phenol	O=C(O)c1cc(Oc2ccccc2)ccc1	C3739386
TX_1_Phenol	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	C1034011
TX_1_Phenol	Oc1ccc(cc1C(C)(C)C)OC	C121006
TX_1_Phenol	Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	C88584
TX_1_Phenol	O=C1NC(=O)SC1Cc1ccc(OCCc2ncc(CC)cc2)cc1.Cl	C112529154
TX_1_Phenol	Oc1c(C(C)(C)C)cc(CC)cc1	C96708
TX_1_Phenol	O=C1c2c(cc(O)cc2)C(=O)N1c1c(C(C)C)cccc1C(C)C	C105624860
TX_1_Phenol	Oc1c(C(C)(C)C)cc(/C=C/2\SC(=N)NC2=O)cc1C(C)(C)C.O=S(=O)(O)C	C139340560
TX_1_Phenol	[O-]C(=O)C1=C(c2cc3OCOc3c(CC)c2)c2c(S(=O)(=O)N1c1ccccc1C(F)(F)F)cccc2.[K+]	C221246124
TX_1_Phenol	FC(F)(F)Oc1cc(CN[C@@H]2[C@@H](NCCC2)c2ccccc2)c(OC)cc1	C145742285
TX_1_Phenol	C(c1ccccc1)(O[C@@H]1CCCN(C1)CCc1cc2OCOc2cc1)c1ccccc1	C127308821
TX_1_Phenol	O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)(O)CC1	C171866312
TX_1_Phenol	O=C(NO)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	CNOCAS47265
TX_1_Phenol	O=C(NO)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	C230954093
TX_1_Phenol	O=C(Nc1nnn[n-]1)c1c(OC(C)C)c2cc(OC)ccc2s1.[Na+]	C104795688
TX_1_Phenol	OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c1csc(C(F)(F)F)n1	C113734182
TX_1_Phenol	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1ccc(F)cc1	C214535770
TX_1_Phenol	Fc1cc(CNC)c(cc1)Oc1ccc(Cl)c(Cl)c1	C289716945
TX_1_Phenol	O=C(NCc1ccc(C(O)(C)C)cc1)c1cccnc1Oc1cc2nonc2cc1	C353280076
TX_1_Phenol	O=C(NCc1ccc(O[C@H](C)C(=O)O)cc1F)c1cccnc1Oc1ccc2c(OCO2)c1	C445295045
TX_1_Phenol	O=C1[C@H]2[C@H](C2)c2c(N1C)cc(CN[C@H]1CC[C@H](CC)N[C@H]1c1ccccc1)c(OC)c2	C368832422
TX_1_Phenol	O=C(c1cc2OCCOc2cc1)N[C@H]1CN2CCC1CC2	C527680564
TX_1_Phenol	O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(CCCC1)C[C@@H](COCCOC)C(=O)Oc1cc2CCCc2cc1	C123122554
TX_1_Phenol	O=c1[nH]c(nc2c1nn(Cc1ccccn1)c2CC)c1c(OCCC)ccc(S(=O)(=O)N2CCN(CC)CC2)c1	C215297271
TX_1_Phenol	O=S(=O)(c1ccc(Oc2ccc(SC)c(C)c2)c(CN(C)C)c1)N	C402910274
TX_1_Phenol	O[C@H]1c2cc(OCc3nc4c(ccc(F)c4)s3)ccc2OC[C@H]1Cc1cccc(C(=O)O)c1	C134002601
TX_1_Phenol	C[C@H]1CC[C@@](N2CCN(c3ccccc3)CC2)(CC1)c1cc(OCC)ccc1.O=S(=O)(O)C	CNOCAS47299
TX_1_Phenol	ON(C(=O)N)[C@H]1C[C@H](C=C1)Oc1cccc(Oc2ccc(F)cc2)c1	C179465715
TX_1_Phenol	O[C@@H]1[C@H](N)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1cc(Cl)ccc1OCc1cc(C)no1)C(=O)NC	CNOCAS47305
TX_1_Phenol	Oc1ccc(Oc2c(C)cc(NC(=O)C(=O)O)cc2C)c2c1CCC2	C290352282
TX_1_Phenol	O=C(O)CCn1c2c(cc1)c(OCCc1c(C)oc(c3ccccc3)n1)ccc2	C501027492
TX_1_Phenol	OC(=O)C1(CCCC1)c1cc2OC[C@H](Cc3ccc(c4ccccc4)cc3)[C@@H](O)c2cc1	C158081993
TX_1_Phenol	O=C(c1ccccc1)c1c(cccc1)N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1c(oc(c2ccccc2)n1)C	C196808454
TX_1_Phenol	O=C(c1cc(OC[C@@H](Nc2ccncc2)C)cc(C)c1)N(C(C)C)CC.O=S(=O)(c1ccc(C)cc1)O	C263553339
TX_1_Phenol	FC(F)(F)c1ccc(cc1)c1nc(CN2CCN(c3ccc(OC)cc3)CC2)c(s1)CSc1cc(CC)c(OCC(=O)O)cc1	C444610917
TX_1_Phenol	O=C1[C@H](NC(=O)C2(N1CCCC)CCN(CC2)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)[C@@H](C1CCCCC1)O.Cl	C461023632
TX_1_Phenol	NC(=O)N([C@@H]1COc2c1ccc(OCc1ccccc1)c2)O	C139149556
TX_1_Phenol	O=C(c1cc2c(OC([C@@H]([C@H]2NC(=O)c2ccc(F)cc2)O)(C)C)cc1)C	C184653847
TX_1_Phenol	O=C(c1ccc(c2ccc(c3oc(nn3)C)cc2C)cc1)N1CCc2c1cc1c(c2)OCC21CCN(CC2)CC.Cl	C180084019
TX_1_Phenol	OCC(n1cnc(c2ccc(F)cc2)c1c1ccnc(Oc2ccccc2)n1)CO	C219790724
TX_1_Phenol	FC(C(F)(F)F)(F)COc1ccc(F)cc1c1cc(c2n[n-]c(C(=O)N)n2)ccc1.O.[K+]	CNOCAS47328
TX_1_Phenol	O=C([O-])[C@H]1[C@H](c2ccc(OC)cc2C[C@@H](C(=O)[O-])C)c2c([C@@H]1c1ccc3c(c1)OCO3)ccc(CCCC)n2.[Na+].[Na+]	C331623064
TX_1_Phenol	CCOc1cc(n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2c2ccc(C)cc2)ccc1.[Na+]	C1061517621
TX_1_Phenol	Clc1c(c2cc(OC)ccc2)ccc(/C=C\CN2CCCCCC2)c1.Cl	CNOCAS47342
TX_1_Phenol	O=c1c2c(NCCN(CC)CC)ccc(CNC=O)c2sc2c1cc(OC)cc2	C155990208
TX_1_Phenol	O=C(N[C@@H](C(=O)N(C)C(C)C)Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C[C@H](c1cc2OCOc2cc1)NS(=O)(=O)c1ccc2c(ccc(OC)c2)c1.Cl	CNOCAS47351
TX_1_Phenol	Clc1ccc2N(S(=O)(=O)c3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(N1[C@H](C(=O)N(C)C)C[C@@H](O)C1)c1ccccc1OC	C439687691
TX_1_Phenol	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	C298198524
TX_1_Phenol	OC(c1cc(Cl)ccc1)CNC1Cc2cc(OCC(=O)OCC)ccc2CC1.Cl	C929601092
TX_1_Phenol	N[C@H]1c2ccccc2O[C@]1(C(=O)OCC)c1ccccc1	CNOCAS47362
TX_1_Phenol	O[C@H](C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(OC)c1OC	C139290656
TX_1_Phenol	O=c1n2c(c(OCCN3CCCCC3)ccc2)nc(OCN2C(=O)c3c(S2(=O)=O)cc(cc3C(C)C)OC)c1	C344930956
TX_1_Phenol	O=C(O)Cn1c2c(C)cc(C)cc2cc1C(=O)Nc1nc(c2c(OC)cc(Cl)c(OC)c2)c(CCC2CCCCC2)s1.O=C(C(F)(F)F)O	C221671621
TX_1_Phenol	N#Cc1c(NC(=O)c2ccc(OC)cc2)nc2ccccc2c1NCc1ccccc1	CNOCAS47374
TX_1_Phenol	Clc1ccc2N(Cc3c(OC)cc(OC)cc3)C(=O)[C@](c2c1)(c1c(Cl)cccc1C(=O)N(CC)Cc1cccnc1)C.Cl	CNOCAS47379
TX_1_Phenol	O=C(OCC)c1ccc([C@@H]2CC[C@@H](NC[C@H](O)COc3ccc(O)c(NS(=O)(=O)C)c3)CC2)cc1.Cl	CNOCAS47389
TX_1_Phenol	O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC	C91082176
TX_1_Phenol	Oc1cc2c(cc1)Cc1ccccc21	C6344678
TX_1_Phenol	Oc1cc2c(cccc2)c2ccccc12	C484173
TX_1_Phenol	Oc1c(CC=C)cc(S(=O)(=O)c2cc(CC=C)c(cc2)O)cc1	C41481667
TX_1_Phenol	O=C(C1CCNCC1)N1CCC(N(CCC)[C@H]2Cc3c(CC2)ccc(OC)c3)CC1	CNOCAS48509
TX_1_Phenol	FC(F)c1nn(c2ccc(OC)cc2)c(c2ccc(S(=O)C)cc2)c1	C151506444
TX_1_Phenol	O=C(c1ccc(C)cc1Cl)[N-]S(=O)(=O)/C=C/c1ccc(OC)cc1.[Na+]	CNOCAS48514
TX_1_Phenol	O=C(NC1CCN(C)CC1)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1	C1062243519
TX_1_Phenol	O=C(O)c1cc(N(Cc2cnccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1	C460081996
TX_1_Phenol	OC(CNc1nc2n(c(=O)cc(Oc3c(F)cc(F)cc3)c2cn1)C)(C)C.Cl	CNOCAS48507
TX_1_Phenol	O=C(C)N1[C@@H]2[C@]3(ON(c4c([C@@H]3COC(=O)N)c(OC)cc(C=O)c4)C[C@H]12)OC(=O)C	C102409927
TX_1_Phenol	O=C(Cc1ccccc1COc1cc2c(cc1)oc(c1nc(C(C)(C)C)cs1)c2)O	C149413741
TX_1_Phenol	O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(O4)CO)nc2N1C	C686756876
TX_1_Phenol	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1	C82097505
TX_1_Phenol	C[C@H](Oc1ccc(Oc2nc3c(cc(Cl)cc3)o2)cc1)C(=O)OCC	C113776208
TX_1_Phenol	O=C([N-]S(=O)(=O)c1c(OC(F)(F)F)cccc1)n1nc(OC)n(C)c1=O.[Na+]	C181274179
TX_1_Phenol	O=[N+](c1cc(c(cc1)N)O)[O-]	C121880
TX_1_Phenol	Oc1c(cc(cc1)N)[N+](=O)[O-]	C119346
TX_1_Phenol	O=S(=O)(c1ccc(cc1)Cl)Oc1ccc(cc1)Cl	C80331
TX_1_Phenol	O=C1c2c(OC)cc(OC)c(Cl)c2O[C@]21C(=CC(=O)C[C@H]2C)OC	C126078
TX_1_Phenol	Oc1c(cc(c(c1Cc1c(c(cc(c1Cl)Cl)Cl)O)Cl)Cl)Cl	C70304
TX_1_Phenol	ClCCN(C(C)COc1ccccc1)Cc1ccccc1.Cl	C63923
TX_1_Phenol	ClC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	C569573
TX_1_Phenol	Oc1c(cc(cc1Sc1c(c(cc(c1)Cl)Cl)O)Cl)Cl	C97187
TX_1_Phenol	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1.OC(C(=O)O)(CC(=O)O)CC(=O)O	C89778278
TX_1_Phenol	Nc1ccc(Oc2ccc(N)cc2)cc1N	C6264660
TX_1_Phenol	Oc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C	C728405
TX_1_Phenol	c1ccccc1NC(=O)c1c(O)cccc1	C87172
TX_1_Phenol	c1ccccc1Oc1ccc(O)cc1	C831823
TX_1_Phenol	c1c(I)c(O)c(I)cc1C#N	C1689834
TX_1_Phenol	c1(C=O)c(OC)cc(OC)c(OC)c1	C4460860
TX_1_Phenol	O=c1c(c2ccc(OC)cc2)coc2c1ccc(O)c2	C485723
TX_1_Phenol	c1c(Cl)cc2c(c1)Oc1c(N=C2N2CCNCC2)cccc1	C14028445
TX_1_Phenol	Oc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)CCC3CCCC3)c2cc1	C313064
TX_1_Phenol	COc1cc(cc(OC)c1O)[C@@H]1c2cc3OCOc3cc2C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2COC(=O)[C@H]12	C33419420
TX_1_Phenol	O=C1NC(=O)SC1Cc1ccc(OCCN(C)c2ccccn2)cc1.OC(=O)/C=C\C(=O)O	C155141290
TX_1_Phenol	c1(O)c(O)cc(C(=O)c2ccc(C)cc2)cc1N(=O)=O	C134308137
TX_1_Phenol	Nc1ccc(OC)cc1	C104949
TX_1_Phenol	Oc1c(O)cc(cc1)C(C)(C)C	C98293
TX_1_Phenol	O=C1c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c12	C518821
TX_1_Phenol	O(C)c1c2ccoc2cc2oc(=O)ccc12	C484208
TX_1_Phenol	CCCCCc1cc(O)cc(O)c1	C500663
TX_1_Phenol	C(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	C87105
TX_1_Phenol	C(=O)(CCC)c1cc(O)c(O)cc1O	C1421632
TX_1_Phenol	Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C	C125315
TX_1_Phenol	O=S(=O)(c1cc2c(c(O)c1)ccc(N)c2)O	C87025
TX_1_Phenol	O=C(O)c1cc2c(cc1O)cccc2	C92706
TX_1_Phenol	O=C(Nc1c(OC)cc(Cl)c(OC)c1)CC(=O)C	C4433798
TX_1_Phenol	Oc1ccc(C(CC(C)C)(C)c2ccc(cc2)O)cc1	C6807176
TX_1_Phenol	Oc1cc(/C=C/c2ccc(cc2)O)cc(O)c1	C501360
TX_1_Phenol	O=C(C)Oc1ccc(CCC(=O)C)cc1	C3572063
TX_1_Phenol	O=S(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1	C10238218
TX_1_Phenol	[O-][N+](=O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccc(C(F)(F)F)c1	C15457053
TX_1_Phenol	Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(C(F)(F)F)c1	C102851069
TX_1_Phenol	O=P(OC)(OC)Oc1ccc([N+](=O)[O-])cc1	C950356
TX_1_Phenol	O=C(c1ccccc1)c1ccc(O)c(O)c1O	C1143722
TX_1_Phenol	Oc1ccc(C2(c3c(cccc3)c3c2cccc3)c2ccc(cc2)O)cc1	C3236713
TX_1_Phenol	Oc1ccc(cc1)Nc1ccccc1	C122372
TX_1_Phenol	O=C(Nc1ccccc1OC)c1cc2c(cc1O)cccc2	C135626
TX_1_Phenol	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(OCCO)c(Br)c1)(C)C	C4162452
TX_1_Phenol	[O-][N+](=O)c1c(OC(=O)OC(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C973217
TX_1_Phenol	[O-][N+](=O)c1c(OC(=O)C=C(C)C)c(C(C)CC)cc([N+](=O)[O-])c1	C485314
TX_1_Phenol	S=P(OC)(OC)Oc1cc(Cl)c(I)cc1Cl	C18181709
TX_1_Phenol	O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N(C)C	C1982474
TX_1_Phenol	[O-][N+](=O)c1ccc(cc1C(=O)OC)Oc1ccc(Cl)cc1Cl	C42576023
TX_1_Phenol	O=C(COc1ccc(OCCCOc2c(CCC)c(O)c(C(=O)C)cc2)cc1)O	C79558091
TX_1_Phenol	OC(=O)COc1c(C)cc(SCc2c(C)nc(c3ccc(C(F)(F)F)c(F)c3)s2)cc1	C317318846
TX_1_Phenol	O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)c(Cl)cc(Cl)c1	C1154592
TX_1_Phenol	Oc1c(Cl)c(C)c(Cl)c(C)c1	C133539
TX_1_Phenol	Oc1cc(C)c(C(C)(C)C)cc1C(C)(C)C	C497392
TX_1_Phenol	S=P(NC(C)C)(Oc1c([N+](=O)[O-])cc(C)cc1)OC	C36001884
TX_1_Phenol	O=C(Oc1cccc2CC(Oc12)(C)C)N(C)SN(C(C)C)CCC(=O)OCC	C82560541
TX_1_Phenol	Brc1c(O)c(Br)cc(/C=N/Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)c1	C13181174
TX_1_Phenol	S=P(OC)(OC)Oc1c(Cl)cc(Br)c(Cl)c1	C2104963
TX_1_Phenol	O=C(NC(=O)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	C71422678
TX_1_Phenol	Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C	C1420071
TX_1_Phenol	O=S(=O)(c1ccc(cc1)OP(=S)(OC)OC)N(C)C	C52857
TX_1_Phenol	Oc1c(C(=O)Nc2cc(C(F)(F)F)ccc2)cc(Br)cc1Br	C4776061
TX_1_Phenol	Clc1cc(C(F)(F)F)cnc1Oc1ccc(OC(C)C(=O)O)cc1	C69806344
TX_1_Phenol	O=C(NC(C)(C)C)Oc1cc(NC(=O)N(C)C)ccc1	C4849325
TX_1_Phenol	O=C(NC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C	C1918112
TX_1_Phenol	S=C(Oc1cc2ccccc2cc1)N(C)c1cccc(C)c1	C2398961
TX_1_Phenol	O=C(OCCCCCC)c1ccc(O)cc1	C1083278
TX_1_Phenol	O=C(c1c(cccc1)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1cc(Br)c(c(c1)Br)O)OCC	C1176745
TX_1_Phenol	O=C1Nc2ccccc2C1(c1ccc(cc1)O)c1ccc(cc1)O	C125133
TX_1_Phenol	O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)cccc2	C135659
TX_1_Phenol	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C13614987
TX_1_Phenol	Oc1c(Br)c2c(cc1Br)C1(c3ccccc3C(=O)O1)c1cc(Br)c(O)c(Br)c1O2	C15086949
TX_1_Phenol	O=C(OC(C)CC)c1ccc(O)cc1	C17696616
TX_1_Phenol	CC1(C)COP(Oc2ccccc2)OC1	C3057087
TX_1_Phenol	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(C)(C)c1ccc(cc1)OCC(O)COC(=O)C(=C)C	C1565942
TX_1_Phenol	O=C(OCC(O)COc1ccccc1)C=C	C16969101
TX_1_Phenol	C1(COc2ccc(cc2)Cc2ccc(OCC3OC3)cc2)OC1	C2095036
TX_1_Phenol	Oc1c(Cc2ccc(O)cc2)cccc1	C2467030
TX_1_Phenol	O=C(OC(C)(C)C)c1ccc(O)cc1	C25804493
TX_1_Phenol	CC1COc2ccccc2N1	C32329207
TX_1_Phenol	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O	C52479853
TX_1_Phenol	c1(C(c2ccc(OCC3OC3)cc2)c2ccc(OCC3OC3)cc2)ccc(OCC2OC2)cc1	C66072386
TX_1_Phenol	Oc1cc(C(C)(C)CC)c(O)cc1C(C)(C)CC	C79743
TX_1_Phenol	O=C1C(=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@](O)(C)c4c(c(O)ccc4Cl)C(=O)C3=C([C@]12O)O)C(=O)N.Cl	C64722
TX_1_Phenol	O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC.Cl	C35543249
TX_1_Phenol	O=C(CC)Oc1ccc(cc1)/C(=C(\CC)/c1ccc(cc1)OC(=O)CC)/CC	C130803
TX_1_Phenol	Nc1cc(N)ccc1OC.O=S(=O)(O)O.O	C123333562
TX_1_Phenol	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc3OCOc3cc2)CC1.Cl	C34161234
TX_1_Phenol	O=C([O-])[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1.[Na+]	C55061
TX_1_Phenol	Oc1cc2c(cc1)c1ccccc1C2	C2443585
TX_1_Phenol	O=COCc1ccc(OC)cc1	C122918
